A0A087XT76_POEFO Loading...

C1q and TNF related 2

AlphaFold DB , UniProt , Accession A0A087XT76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 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
1S43.3Very low51Low177 Ų177115.3 Ų115.3100%1.23876%0.762SS**  0116.90340000106.5
2S41.7Very low51.6Low113 Ų113116.3 Ų116.379%0.7976%0.755SS**  cis-163125.536.6-166.70000107.5
3C42.9Very low52Low131 Ų131117.8 Ų117.889%0.88575%0.745SS**  trans-14880.4171.2-114.90000107.1
4C48.7Very low52.7Low131 Ų131117.4 Ų117.489%0.88573%0.732SS**  trans176.882163.8-97.40000109.1
5A51.6Low53.1Low100 Ų100114.8 Ų114.883%0.82672%0.718SS**  trans-16465.1166.900000112.3
6S53.8Low53.7Low98 Ų98112.8 Ų112.869%0.68570%0.704SS**SBendtrans-158.32.9159.694.20000117.4
7A53.1Low54.3Low71 Ų71111.5 Ų111.559%0.58769%0.69SS**SBendtrans-90.3-10.5-173.400000115.1
8V55.3Low54.7Low124 Ų124111.6 Ų111.675%0.75268%0.684SS**Hα-helixtrans-73.3-38.8-173.2-173.80000114.7
9P55.4Low54.8Low79 Ų79110.1 Ų110.151%0.51368%0.678SS.*Hα-helixtrans-77.4-26.6-175.327.9-30.4000113.6Q13P9-Q13 PolarHBondContact O-N 3.47Å
10I57.6Low54.6Low104 Ų104110.3 Ų110.353%0.53367%0.674SS.*Hα-helixtrans-75.2-38.4-177.2-57.2172.6000110.9L12 Q13 M14I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; I10-Q13 PolarHBondContact O-N 3.42Å; I10-M14 WeakPolarHBondContact O-CG 3.32Å; I10-M14 PolarHBondContact O-N 3.41Å; I10-M14 VanDerWaalsContact O-N 3.1Å
11M58.2Low54.2Low140 Ų140110.3 Ų110.369%0.6967%0.669SS**Hα-helixtrans-67.3-34.7176.5-70-67.6-99.800112.1C15M11-C15 PolarHBondContact O-N 3.39Å
12L58.2Low54.6Low128 Ų128105.4 Ų105.467%0.6764%0.635SS**Hα-helixtrans-72.2-39.3178.1-15278.1000111.8I10 C15 V16I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; L12-C15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.48Å
13Q56.8Low54.8Low136 Ų136103.1 Ų103.164%0.63662%0.623SS**Hα-helixtrans-66.2-38.6175.1-86.4178.8-52.100112.7P9 I10 V16 I17P9-Q13 PolarHBondContact O-N 3.47Å; I10-Q13 PolarHBondContact O-N 3.42Å; Q13-V16 PolarHBondContact O-N 3.45Å; Q13-I17 WeakPolarHBondContact O-CG1 2.94Å; Q13-I17 PolarHBondContact O-N 3.45Å
14M61.6Low55Low112 Ų112102.2 Ų102.255%0.55261%0.613SS**Hα-helixtrans-66.9-39176.8-72.1-64.2-15400112.4I10 V16 I17 I18I10-M14 WeakPolarHBondContact O-CG 3.32Å; I10-M14 PolarHBondContact O-N 3.41Å; I10-M14 VanDerWaalsContact O-N 3.1Å; M14-V16 PolarHBondContact O-N 3.46Å; M14-I17 PolarHBondContact O-N 3.48Å; M14-I18 WeakPolarHBondContact O-CD1 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.24Å
15C58.9Low54.8Low78 Ų78101.9 Ų101.953%0.52761%0.607SS.*Hα-helixtrans-64.1-38.3175.6-82.10000113M11 L12 I18 C19M11-C15 PolarHBondContact O-N 3.39Å; L12-C15 PolarHBondContact O-N 3.48Å; C15-I18 PolarHBondContact O-N 3.36Å; C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 3.22Å; C15-C19 PolarHBondContact O-SG 3.24Å; C15-C19 VanDerWaalsContact O-SG 3.34Å
16V63Low54.4Low83 Ų83102.4 Ų102.450%0.50360%0.604SS.*Hα-helixtrans-68.6-37.5178.71750000111.4L12 Q13 M14 C19 L20L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.48Å; Q13-V16 PolarHBondContact O-N 3.45Å; M14-V16 PolarHBondContact O-N 3.46Å; V16-C19 PolarHBondContact O-N 3Å; V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 WeakPolarHBondContact O-CB 3.5Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.43Å
17I62.8Low53.9Low91 Ų91106.2 Ų106.247%0.46761%0.611SS.*Hα-helixtrans-68.2-39.9177-66.7168.2000111.1Q13 M14 L20 L21Q13-I17 WeakPolarHBondContact O-CG1 2.94Å; Q13-I17 PolarHBondContact O-N 3.45Å; M14-I17 PolarHBondContact O-N 3.48Å; I17-L20 PolarHBondContact O-N 2.97Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 PolarHBondContact O-N 3.13Å
18I61.8Low53.1Low112 Ų112107.2 Ų107.257%0.57461%0.614SS**Hα-helixtrans-65.3-42.1176-68165.7000111.1M14 C15 L20 L21 S22M14-I18 WeakPolarHBondContact O-CD1 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.24Å; C15-I18 PolarHBondContact O-N 3.36Å; I18-L20 PolarHBondContact O-N 3.27Å; I18-L21 PolarHBondContact O-N 3.13Å; I18-S22 PolarHBondContact O-N 2.66Å; I18-S22 VanDerWaalsContact O-N 3.16Å; I18-S22 PolarHBondContact O-OG 2.81Å; I18-S22 VanDerWaalsContact O-OG 3.12Å
19C55.9Low52.3Low84 Ų84107.1 Ų107.157%0.56861%0.614SS**Hα-helixtrans-65-36.5176.6-74.40000113.1C15 V16 S22C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 3.22Å; C15-C19 PolarHBondContact O-SG 3.24Å; C15-C19 VanDerWaalsContact O-SG 3.34Å; V16-C19 PolarHBondContact O-N 3Å; C19-S22 WeakPolarHBondContact CA-OG 3.49Å; C19-S22 PolarHBondContact O-OG 2.82Å
20L51.6Low51.4Low113 Ų113110.1 Ų110.159%0.59263%0.625SS**Hα-helixtrans-73.8-32.7178-72.6168.5000112.4V16 I17 I18 A23V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 WeakPolarHBondContact O-CB 3.5Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.43Å; I17-L20 PolarHBondContact O-N 2.97Å; I18-L20 PolarHBondContact O-N 3.27Å; L20-A23 PolarHBondContact O-N 3.07Å
21L47.2Very low50.4Low112 Ų112111.1 Ų111.159%0.58664%0.642SS**Hα-helixtrans-70.9-33.4175-83157.1000112.8I17 I18 A23 V24I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 PolarHBondContact O-N 3.13Å; I18-L21 PolarHBondContact O-N 3.13Å; L21-A23 PolarHBondContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3.06Å
22S50.9Low49.3Very low74 Ų74108.5 Ų108.552%0.51764%0.637SS.*Hα-helixtrans-68.7-19.917343.20000114.2I18 C19I18-S22 PolarHBondContact O-N 2.66Å; I18-S22 VanDerWaalsContact O-N 3.16Å; I18-S22 PolarHBondContact O-OG 2.81Å; I18-S22 VanDerWaalsContact O-OG 3.12Å; C19-S22 WeakPolarHBondContact CA-OG 3.49Å; C19-S22 PolarHBondContact O-OG 2.82Å
23A46.2Very low48.3Very low64 Ų64106.9 Ų106.953%0.52964%0.636SS.*THydrogen-bonded Turntrans-80.5-17.7178.800000113.5L20 L21L20-A23 PolarHBondContact O-N 3.07Å; L21-A23 PolarHBondContact O-N 3.16Å
24V47.1Very low47.4Very low113 Ų113110.4 Ų110.469%0.68565%0.65SS**THydrogen-bonded Turntrans-97.1-17.3-174.6-175.50000112.7L21L21-V24 PolarHBondContact O-N 3.06Å
25V44.3Very low46.1Very low124 Ų124115.5 Ų115.575%0.75266%0.663SS**THydrogen-bonded Turntrans-88.7-11.9-176.8-179.80000113.9Q27V25-Q27 PolarHBondContact O-N 3.41Å
26S42.3Very low44.9Very low111 Ų111114.7 Ų114.778%0.77667%0.668SS**THydrogen-bonded Turntrans-884.8-179.1-66.30000115
27Q44.8Very low43.7Very low178 Ų178120.6 Ų120.683%0.83268%0.681SS**  trans-102.172.3174.3-66-173.53400110.9V25V25-Q27 PolarHBondContact O-N 3.41Å
28S35.4Very low42.7Very low91 Ų91123.5 Ų123.564%0.63670%0.698SS**SBendtrans-153.1115.3157.6-166.40000111
29T38.9Very low41.6Very low122 Ų122125.7 Ų125.775%0.74870%0.703SS**  trans57.397.6152.963.60000118.3
30N35.2Very low41Very low142 Ų142127 Ų12776%0.75971%0.711SS**  -160.282.9121.1-124.5-27.3000111.9S32N30-S32 PolarHBondContact O-N 3.33Å; N30-S32 PolarHBondContact OD1-OG 3.4Å
31S38.4Very low40.8Very low126 Ų126128.2 Ų128.288%0.88172%0.716SS**  trans-70.778.3156.7176.80000108S33S31-S33 PolarHBondContact O-N 2.88Å
32S33.5Very low40.6Very low84 Ų84129.3 Ų129.359%0.58772%0.718SS**  trans-9290.1166.8-75.30000107.5N30 K34N30-S32 PolarHBondContact O-N 3.33Å; N30-S32 PolarHBondContact OD1-OG 3.4Å; S32-K34 PolarHBondContact O-N 3.16Å
33S37.5Very low40.6Very low94 Ų94130.1 Ų130.166%0.65772%0.724SS**  trans-37108.6164.7179.10000109.9S31 R35S31-S33 PolarHBondContact O-N 2.88Å; S33-R35 PolarHBondContact O-N 2.95Å
34K37.3Very low40.8Very low210 Ų210130.9 Ų130.991%0.91373%0.725SS**  trans-66.884.8163.8-79-173.9-179.9179.70106.3S32 G36S32-K34 PolarHBondContact O-N 3.16Å; K34-G36 PolarHBondContact O-N 2.87Å
35R34.4Very low40.7Very low219 Ų219132.9 Ų132.983%0.82673%0.727SS**  trans-59.393.8162-120.1-178.1-83.7-172.4-5.7105.4S33 R37S33-R35 PolarHBondContact O-N 2.95Å; R35-R37 PolarHBondContact O-N 2.93Å
36G34.1Very low40.7Very low61 Ų61133.5 Ų133.563%0.62973%0.726SS**  trans-51.6112.1161.100000105.8K34 N38K34-G36 PolarHBondContact O-N 2.87Å; G36-N38 PolarHBondContact O-N 3.27Å
37R39Very low40.7Very low207 Ų207134.7 Ų134.778%0.78173%0.728SS**  trans-68.389.5167.3-70-176.2-177.7177.30.5104.8R35 F39R35-R37 PolarHBondContact O-N 2.93Å; R37-F39 HydrophobicContact CB-CD2 4.07Å; R37-F39 HydrophobicContact CB-CE2 3.75Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; R37-F39 WeakPolarHBondContact O-CD2 3.35Å; R37-F39 PolarHBondContact O-N 3.5Å
38N40.4Very low40.8Very low153 Ų153130.3 Ų130.382%0.81872%0.716SS**  trans-57.6101.9153-79.7-5.3000104.1G36 P40G36-N38 PolarHBondContact O-N 3.27Å; N38-P40 WeakPolarHBondContact O-CD 3.45Å
39F39.3Very low41.4Very low157 Ų157131.6 Ų131.669%0.68973%0.725SS**  trans-76.8103.1158.3-71.9-85000104.7R37 I41R37-F39 HydrophobicContact CB-CD2 4.07Å; R37-F39 HydrophobicContact CB-CE2 3.75Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; R37-F39 WeakPolarHBondContact O-CD2 3.35Å; R37-F39 PolarHBondContact O-N 3.5Å; F39-I41 VanDerWaalsContact C-N 3.29Å; F39-I41 PolarHBondContact O-N 3.29Å
40P43.5Very low41.6Very low113 Ų113132.5 Ų132.573%0.73472%0.724SS**  trans-62.5104.1161.427.4-31.8000105.3N38 H42N38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-H42 VanDerWaalsContact C-N 3.26Å; P40-H42 PolarHBondContact O-N 3.21Å
41I47.3Very low42.2Very low138 Ų138131.4 Ų131.471%0.70873%0.725SS**  trans-63.8101.2167.4-61.4178.4000104.5F39 S43F39-I41 VanDerWaalsContact C-N 3.29Å; F39-I41 PolarHBondContact O-N 3.29Å; I41-S43 PolarHBondContact O-N 3.38Å
42H43.6Very low42.5Very low134 Ų134128 Ų12862%0.6271%0.71SS**  trans-68.1121.3174.9-158-104.5000106.3P40 S44 Q45P40-H42 VanDerWaalsContact C-N 3.26Å; P40-H42 PolarHBondContact O-N 3.21Å; H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-OG 3.03Å; H42-S44 PolarHBondContact O-N 2.98Å; H42-Q45 PolarHBondContact O-N 3.38Å
43S50Low43.2Very low92 Ų92130.1 Ų130.164%0.64372%0.722SS**G310 helixtrans-48.6-20.5-177.9-1720000113.5I41 Q45I41-S43 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 3.35Å; S43-Q45 VanDerWaalsContact O-N 3.16Å
44S51Low44.2Very low80 Ų80132.5 Ų132.556%0.55973%0.732SS**G310 helixtrans-68.1-3.2176.3700000116.2H42H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-OG 3.03Å; H42-S44 PolarHBondContact O-N 2.98Å
45Q43.7Very low44.8Very low155 Ų155124.4 Ų124.472%0.72471%0.708SS**G310 helixtrans-96.6-1.8178.6-81.2-176.6-15.600114.8H42 S43H42-Q45 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 3.35Å; S43-Q45 VanDerWaalsContact O-N 3.16Å
46L44.6Very low45.5Very low137 Ų137119.4 Ų119.472%0.71770%0.704SS**  trans-107.885.9171.1-67169.1000108.6C48L46-C48 PolarHBondContact O-N 3.42Å; L46-C48 VanDerWaalsContact O-N 3.13Å
47V42.2Very low46.7Very low135 Ų135122.6 Ų122.682%0.81871%0.714SS**  trans-76.698.9170.2-179.80000107.4
48C47.4Very low47.5Very low87 Ų87114.7 Ų114.759%0.58870%0.696SS**  trans-76.3125.4170.4-151.90000108.5L46 L50L46-C48 PolarHBondContact O-N 3.42Å; L46-C48 VanDerWaalsContact O-N 3.13Å; C48-L50 PolarHBondContact O-N 2.93Å
49S48.4Very low48.3Very low117 Ų117116.4 Ų116.482%0.81870%0.697SS**  trans-86.224.4-173.258.40000114.2
50L42.6Very low49.4Very low141 Ų141114.8 Ų114.874%0.73870%0.702SS**PPolyproline II helixtrans-85124.9179.8-81155000110C48 G52C48-L50 PolarHBondContact O-N 2.93Å; L50-G52 PolarHBondContact O-N 3.29Å
51P47Very low50Low120 Ų120111.1 Ų111.178%0.77969%0.685SS**PPolyproline II helixtrans-57.7133.2173.6-21.832.2000110.9
52G46.4Very low50.7Low54 Ų54108.3 Ų108.356%0.55768%0.682SS**PPolyproline II helixtrans-64.8161.4174.200000112.4L50L50-G52 PolarHBondContact O-N 3.29Å
53P47.9Very low51.6Low129 Ų129108 Ų10884%0.83869%0.692SS**PPolyproline II helixtrans-60.5148.8175.326.8-33.9000110.9G55P53-G55 PolarHBondContact O-N 3.42Å
54T57.4Low52Low144 Ų144105 Ų10588%0.88368%0.677SS**PPolyproline II helixtrans-55.1126.7175-49.60000109.9
55G50.1Low52.6Low39 Ų39106.1 Ų106.140%0.40268%0.682SS.*PPolyproline II helixtrans-59.1159.2176.700000112.6P53P53-G55 PolarHBondContact O-N 3.42Å
56P49.8Very low53.5Low114 Ų114104.8 Ų104.874%0.7469%0.687SS**PPolyproline II helixtrans-60.4151.6179.426-33.9000111.5G58P56-G58 PolarHBondContact O-N 3.1Å
57P60Low54.2Low129 Ų129100.3 Ų100.384%0.83867%0.673SS**PPolyproline II helixtrans-53.9139.3172.8-24.333.7000111.5
58G55.5Low55Low40 Ų4098.5 Ų98.541%0.41267%0.667SS.*PPolyproline II helixtrans-60155.2174.200000111.9P56P56-G58 PolarHBondContact O-N 3.1Å
59F57.4Low55.7Low189 Ų189103.3 Ų103.383%0.82968%0.683SS**PPolyproline II helixtrans-60.2145.9178.5-69.3-77.8000111.5G61F59-G61 PolarHBondContact O-N 2.94Å
60P61.8Low56.2Low123 Ų12399 Ų9980%0.79966%0.657SS**PPolyproline II helixtrans-55.8136.9171.5-23.533.4000111.3
61G56.5Low57.2Low36 Ų3697.7 Ų97.737%0.37166%0.657SS.*PPolyproline II helixtrans-59.8150.5174.800000112F59F59-G61 PolarHBondContact O-N 2.94Å
62A61.2Low57.9Low79 Ų79100.9 Ų100.965%0.65366%0.664SS**PPolyproline II helixtrans-59.9147-179.200000112G64A62-G64 PolarHBondContact O-N 3.17Å
63P62.5Low58.6Low127 Ų12799.7 Ų99.783%0.82565%0.651SS**PPolyproline II helixtrans-56.8137.2173.4-23.933.7000111.8
64G59.3Low59.4Low31 Ų3198.6 Ų98.632%0.3264%0.644SS.*PPolyproline II helixtrans-64.1153.9175.300000112.1A62A62-G64 PolarHBondContact O-N 3.17Å
65P62.3Low59.7Low102 Ų10297.7 Ų97.766%0.66264%0.641SS**PPolyproline II helixtrans-63.3150.8-179.826.2-34.1000112
66P63.6Low60.2Low128 Ų12897.9 Ų97.983%0.83164%0.643SS**PPolyproline II helixtrans-55.8143.7174.3-2433.4000112.5
67G58Low60.8Low42 Ų42100.1 Ų100.143%0.43365%0.648SS.*PPolyproline II helixtrans-63.5147.217500000112.1
68S60.1Low61Low98 Ų98101.8 Ų101.869%0.68565%0.65SS**PPolyproline II helixtrans-65.7143.4177.5570000112
69M62.2Low61.2Low187 Ų187102.1 Ų102.192%0.92165%0.653SS**PPolyproline II helixtrans-59.8135.9172.7-173.7165.861.800110.8
70G58Low61.3Low27 Ų2799.3 Ų99.328%0.27865%0.653SS.*PPolyproline II helixtrans-66.8155.9177.900000112.4
71P64.3Low61.4Low114 Ų114101.1 Ų101.174%0.7466%0.656SS**PPolyproline II helixtrans-64.3147.7177.827.6-33.9000111.6
72M62.4Low61.5Low186 Ų186102.6 Ų102.692%0.91667%0.672SS**PPolyproline II helixtrans-63.3137.6173.9-172.6169.767.500110.2
73G60Low61.4Low29 Ų29108.6 Ų108.630%0.29968%0.683SS.*PPolyproline II helixtrans-63154.9177.500000112.5
74P64.7Low61.4Low106 Ų106110.4 Ų110.469%0.68869%0.686SS**PPolyproline II helixtrans-64154.1178.727.2-34000111.9
75P64Low61.3Low126 Ų126112.4 Ų112.482%0.81871%0.706SS**PPolyproline II helixtrans-56.4147.8171.8-22.733.3000112.1
76G60.7Low61Low43 Ų43116.9 Ų116.944%0.44372%0.719SS.*PPolyproline II helixtrans-64.2147.9174.200000111.5
77L61.5Low60.8Low161 Ų161120.6 Ų120.684%0.84372%0.721SS**PPolyproline II helixtrans-66.6146176.3-65.7168.9000110.8
78D64.8Low60.7Low164 Ų164121.9 Ų121.988%0.87774%0.735SS**PPolyproline II helixtrans-62.2143.3173.5-69.3-36.3000110.8
79G59.8Low60.5Low46 Ų46126.6 Ų126.647%0.47475%0.746SS.*PPolyproline II helixtrans-68.3149.8177.700000111.4
80P60.2Low60.1Low130 Ų130127.2 Ų127.284%0.84474%0.743SS**PPolyproline II helixtrans-62.7145.4176.226.6-33.6000111.3
81D64.3Low59.9Low161 Ų161129.3 Ų129.386%0.86177%0.766SS**PPolyproline II helixtrans-56.9140.9176.9-69.6-36000111.5
82G58.4Low59.3Low67 Ų67131.7 Ų131.769%0.69177%0.772SS**PPolyproline II helixtrans-64.9137.6178.600000111.3
83K58.8Low58.8Low206 Ų206126.5 Ų126.590%0.89677%0.766SS**PPolyproline II helixtrans-66.7140.6175.1-66.2-175.3176.4-177.50110.7
84D61.9Low58.3Low164 Ų164128.8 Ų128.888%0.87779%0.79SS**PPolyproline II helixtrans-55.4139.5175.5-69.9-31.2000111.6
85G56.5Low57.6Low73 Ų73131.2 Ų131.275%0.75380%0.797SS**PPolyproline II helixtrans-69142.6-179.200000112.8
86E57.6Low56.8Low197 Ų197131.6 Ų131.692%0.92180%0.799SS**PPolyproline II helixtrans-62.9140.9177.8-67.9-177.9150.200112G88E86-G88 PolarHBondContact O-N 3.16Å
87K57.9Low56Low205 Ų205133.2 Ų133.289%0.89182%0.816SS**PPolyproline II helixtrans-65.6126.1179.9-170.7178.7-1701770110
88G56Low54.9Low69 Ų69137.6 Ų137.671%0.71182%0.821SS**PPolyproline II helixtrans-56.3136.4-178.400000113.5E86E86-G88 PolarHBondContact O-N 3.16Å
89E55.4Low54Low197 Ų197135.9 Ų135.992%0.92182%0.819SS**PPolyproline II helixtrans-66.5146.7179-67.5-172.5138.600112.4
90K54.8Low53.1Low200 Ų200137.2 Ų137.287%0.8783%0.833SS**PPolyproline II helixtrans-71.7128.7-179.8-171.5179.5-175.9-178.20109.9
91G54.3Low51.9Low72 Ų72139 Ų13974%0.74284%0.835SS**PPolyproline II helixtrans-59.2140.1-177.800000114.4
92N51.9Low50.7Low164 Ų164137.6 Ų137.688%0.87784%0.835SS**PPolyproline II helixtrans-61137.3-178.3-70.2-23.3000112.8
93G51.2Low50Low76 Ų76137.9 Ų137.978%0.78484%0.838SS**PPolyproline II helixtrans-73.6134.4166.900000110.3
94G50.3Low49.1Very low78 Ų78138 Ų13880%0.80484%0.838SS**PPolyproline II helixtrans-73142.3-177.800000113.7
95D48.5Very low48.5Very low157 Ų157136.5 Ų136.584%0.8484%0.838SS**PPolyproline II helixtrans-59.4158.7154.4-56.3-53.3000108.9
96P46.9Very low48.1Very low134 Ų134136.9 Ų136.987%0.8784%0.842SS**  cis-160.4-169.440.837.5-11.4000116.7
97G44Very low47.5Very low77 Ų77134.7 Ų134.779%0.79484%0.841SS**  trans138.5114.4147.300000118.3
98R38.7Very low47.2Very low252 Ų252134.6 Ų134.695%0.95184%0.841SS**  trans-81.2162166.8-103.9-177-177.8-173.62110.9
99P46.9Very low46.9Very low128 Ų128134.7 Ų134.783%0.83184%0.842SS**  -100.6157-113.437.1-36.6000117
100G40.5Very low46.7Very low74 Ų74137.4 Ų137.476%0.76384%0.844SS**  trans163.6127.5163.500000112.9
101N34.5Very low46.6Very low167 Ų167137 Ų13789%0.89385%0.845SS**  trans-65.5176-166.6-62.2-40.7000116.1
102P40.1Very low46.5Very low133 Ų133136.9 Ų136.986%0.86484%0.844SS**  -99.1168-107.215.510.2000113.1
103G44Very low46.5Very low72 Ų72136.1 Ų136.174%0.74285%0.845SS**  cis169.3141.9-4.700000107.6
104K38.3Very low46.6Very low208 Ų208140.2 Ų140.290%0.90485%0.847SS**  trans-147.7151.6162.4-81.8-166.6-178.6178.50110.5
105P49.9Very low46.8Very low134 Ų134139.6 Ų139.687%0.8784%0.841SS**PPolyproline II helixtrans-78.2157.4-149.9-16.933000117.9
106G48Very low47Very low81 Ų81142.2 Ų142.284%0.83585%0.845SS**PPolyproline II helixtrans-85.9168-168.900000118.3
107V45.2Very low47.3Very low150 Ų150140.6 Ų140.691%0.90984%0.843SS**PPolyproline II helixtrans-87143.6-170.6-164.40000112.5
108K50.9Low47.8Very low203 Ų203140 Ų14088%0.88384%0.836SS**PPolyproline II helixtrans-63.9132.6179.1-166.6177.3-176.1-178.60112.1
109G51.4Low48.5Very low71 Ų71134.2 Ų134.273%0.73283%0.832SS**PPolyproline II helixtrans-71154.6-178.500000114.8
110R49.7Very low48.9Very low254 Ų254139.9 Ų139.996%0.95884%0.836SS**PPolyproline II helixtrans-79151.3177.8-71.7-177.2176.8-175.2-1.2112.3
111E53.3Low49.6Very low191 Ų191139.2 Ų139.289%0.89383%0.829SS**PPolyproline II helixtrans-66.6145.9-179.8-158168.8-162.100112.3
112G52.8Low50.5Low71 Ų71135.9 Ų135.973%0.73283%0.825SS**PPolyproline II helixtrans-75.3151.8-176.600000113.6
113V50.7Low51.2Low148 Ų148139.4 Ų139.490%0.89783%0.826SS**PPolyproline II helixtrans-81.8136-177.8-164.90000110.7
114I55.1Low51.7Low162 Ų162138.3 Ų138.383%0.83182%0.815SS**PPolyproline II helixtrans-62.7132.1173.9-62.8170.8000109.7
115G53.6Low52.4Low65 Ų65136.1 Ų136.167%0.6781%0.812SS**PPolyproline II helixtrans-62.6145.717800000112.9
116K53Low52.7Low212 Ų212141.4 Ų141.492%0.92282%0.815SS**PPolyproline II helixtrans-68.9143.9178.4-68.9-177.8179.5179.90110.9
117A53.1Low53.1Low100 Ų100139.5 Ų139.583%0.82680%0.795SS**PPolyproline II helixtrans-57.8138.2172.600000111.1
118G54.8Low53.5Low63 Ų63136.7 Ų136.765%0.64978%0.782SS**PPolyproline II helixtrans-62.3154.1178.400000112.6
119P53.8Low53.9Low132 Ų132132.9 Ų132.986%0.85778%0.779SS**PPolyproline II helixtrans-65.3143.8179.126.9-32.9000111.5G121P119-G121 PolarHBondContact O-N 3.38Å
120R54.8Low54.1Low247 Ų247131.7 Ų131.793%0.93277%0.766SS**PPolyproline II helixtrans-59.1131174-173.3176.7-176.6170.22.1109.6
121G54.3Low54.5Low60 Ų60125.6 Ų125.662%0.61976%0.757SS**PPolyproline II helixtrans-53.2147.4178.300000112.9P119P119-G121 PolarHBondContact O-N 3.38Å
122A53.8Low54.8Low96 Ų96120.9 Ų120.979%0.79375%0.751SS**PPolyproline II helixtrans-62.4143.3-178.500000111.6G124A122-G124 PolarHBondContact O-N 3.47Å
123K54.2Low54.8Low207 Ų207119.6 Ų119.690%0.974%0.737SS**PPolyproline II helixtrans-62.7128.7177.6-161.6175.4-175.3179.50109.2
124G54.2Low55.2Low49 Ų49121.3 Ų121.351%0.50573%0.733SS.*PPolyproline II helixtrans-53.6147.7-179.900000112.8A122A122-G124 PolarHBondContact O-N 3.47Å
125L53.7Low55.5Low162 Ų162122.9 Ų122.985%0.84874%0.736SS**PPolyproline II helixtrans-64.3141.1-178.1-67169.2000111G127L125-G127 PolarHBondContact O-N 2.61Å
126R56.5Low55.5Low245 Ų245121.5 Ų121.593%0.92572%0.722SS**PPolyproline II helixtrans-61.8129.4175.8-171.5177.2-171.8170.72.3109.1
127G55.3Low55.7Low41 Ų41120.2 Ų120.242%0.42372%0.717SS.*PPolyproline II helixtrans-54.4147.2176.300000112.1L125L125-G127 PolarHBondContact O-N 2.61Å
128S55.3Low56.2Low91 Ų91125.2 Ų125.264%0.63672%0.72SS**PPolyproline II helixtrans-61.8148.3-17949.80000112.1
129P59.1Low56.2Low124 Ų124123.7 Ų123.781%0.80570%0.704SS**PPolyproline II helixtrans-53.6141.6173.2-2433.6000111.9
130G54.8Low56.5Low45 Ų45125.6 Ų125.646%0.46470%0.702SS.*PPolyproline II helixtrans-61.2152.7175.100000112
131V57.7Low56.7Low127 Ų127122 Ų12277%0.7770%0.7SS**PPolyproline II helixtrans-65.9138.8-179.7-171.90000110G133V131-G133 PolarHBondContact O-N 2.97Å
132A59.4Low56.7Low92 Ų92120.6 Ų120.676%0.7669%0.685SS**PPolyproline II helixtrans-55.6136.7177.600000111.4
133G54.3Low57Low43 Ų43123 Ų12344%0.44369%0.685SS.*PPolyproline II helixtrans-59.7151.817800000112V131V131-G133 PolarHBondContact O-N 2.97Å
134K59.5Low57.2Low185 Ų185124.9 Ų124.980%0.80469%0.686SS**PPolyproline II helixtrans-64.6140.3179.3-67.3-176.1178.5-1790110.5G136K134-G136 PolarHBondContact O-N 3.23Å
135Q60.4Low57.1Low194 Ų194124.6 Ų124.691%0.90768%0.683SS**PPolyproline II helixtrans-57.1135.5174.8-169.7173.718.900110.3
136G54.1Low56.9Low37 Ų37125.7 Ų125.738%0.38168%0.684SS.*PPolyproline II helixtrans-57.5149.7177.500000111.8K134K134-G136 PolarHBondContact O-N 3.23Å
137K57.1Low56.5Low184 Ų184123.1 Ų123.180%0.868%0.682SS**PPolyproline II helixtrans-66143.2179.2-67.9-175.4177.6-179.10110.3G139K137-G139 PolarHBondContact O-N 3.03Å
138K63Low56Low205 Ų205123.4 Ų123.489%0.89169%0.686SS**PPolyproline II helixtrans-56.9134.8171.4-172.5177.9178.9-178.10108.8
139G54.2Low55.3Low31 Ų31124.7 Ų124.732%0.3269%0.691SS.*PPolyproline II helixtrans-57.6155.9176.100000111.9K137K137-G139 PolarHBondContact O-N 3.03Å
140E60.6Low54.7Low173 Ų173124.8 Ų124.881%0.80869%0.692SS**PPolyproline II helixtrans-63.3151.5-179-64.7-178.3167.300111.5G142E140-G142 PolarHBondContact O-N 3.36Å
141L59.5Low54.1Low172 Ų172125.3 Ų125.390%0.90170%0.698SS**PPolyproline II helixtrans-63.8127.5173.5-176.168.4000107.9
142G55.1Low53.1Low30 Ų30122.2 Ų122.231%0.30969%0.692SS.*PPolyproline II helixtrans-56.7147.517900000111.6E140E140-G142 PolarHBondContact O-N 3.36Å
143D58.5Low52.4Low146 Ų146121.7 Ų121.778%0.78168%0.682SS**PPolyproline II helixtrans-56.5145.9-178.9-68-40.4000111.6G145D143-G145 PolarHBondContact O-N 3.16Å
144R58.9Low52.1Low247 Ų247126.8 Ų126.893%0.93270%0.698SS**PPolyproline II helixtrans-60124.2170.1-174.1175.4179173.3-1.4107.7Q146R144-Q146 PolarHBondContact O-N 3.42Å
145G52.2Low51.5Low42 Ų42121.4 Ų121.443%0.43368%0.684SS.*PPolyproline II helixtrans-51.3139177.300000110.8D143D143-G145 PolarHBondContact O-N 3.16Å
146Q50.5Low51Low186 Ų186115 Ų11587%0.86967%0.669SS**PPolyproline II helixtrans-57.6143.9177.4-67.9-175.4-3.400110R144 G148R144-Q146 PolarHBondContact O-N 3.42Å; Q146-G148 PolarHBondContact O-N 3.45Å
147E47.1Very low51.2Low190 Ų190118.8 Ų118.889%0.88869%0.685SS**PPolyproline II helixtrans-57.9125.8168.8-166.4167.6-16700107.7
148G44.4Very low51.7Low48 Ų48112.2 Ų112.250%0.49567%0.665SS.*PPolyproline II helixtrans-58.3150.5-179.400000110.1Q146Q146-G148 PolarHBondContact O-N 3.45Å
149P41.9Very low52.5Low117 Ų117103.9 Ų103.976%0.7664%0.635SS**PPolyproline II helixtrans-51.8149.2167.824.9-33.2000109.1G151P149-G151 PolarHBondContact O-N 3.48Å
150P45.9Very low54.2Low126 Ų126108.8 Ų108.882%0.81864%0.644SS**  trans-45.2123.4169.1-23.631.3000107.2G152P150-G152 PolarHBondContact O-N 3.4Å
151G41.8Very low55.8Low56 Ų56100.8 Ų100.858%0.57761%0.607SS**  trans-48.8121.2-177.900000107.3P149 C153P149-G151 PolarHBondContact O-N 3.48Å; G151-C153 PolarHBondContact O-N 3.06Å; G151-C153 VanDerWaalsContact O-N 3.13Å
152G37.3Very low57.6Low63 Ų6393.6 Ų93.665%0.64957%0.572SS**  trans-50129.7166.800000105.7P150 N154P150-G152 PolarHBondContact O-N 3.4Å; G152-N154 PolarHBondContact O-N 3.42Å
153C44.9Very low59.7Low81 Ų8192.2 Ų92.255%0.54756%0.558SS.*  trans-67.769.7169.9-67.40000107.7G151 C155G151-C153 PolarHBondContact O-N 3.06Å; G151-C153 VanDerWaalsContact O-N 3.13Å; C153-C155 PolarHBondContact O-N 2.94Å
154N47.6Very low61.6Low149 Ų14986.4 Ų86.480%0.79753%0.529SS*.  trans-69.185.5147.3-67-3.1000102.5G152 G156G152-N154 PolarHBondContact O-N 3.42Å; N154-G156 PolarHBondContact O-N 2.96Å
155C45.9Very low63.4Low73 Ų7374.7 Ų74.749%0.49348%0.484SS..  trans-45.6110.4139.7-66.10000103C153 A158 R160C153-C155 PolarHBondContact O-N 2.94Å; C155-A158 HydrophobicContact CB-CB 4.06Å; C155-R160 PolarHBondContact SG-NH2 2.83Å; C155-R160 VanDerWaalsContact SG-NH2 3.4Å
156G51.1Low65.5Low59 Ų5972.7 Ų72.761%0.60846%0.464SS*.  trans-58.9-152.8165.400000108.3N154 A158N154-G156 PolarHBondContact O-N 2.96Å; G156-A158 PolarHBondContact O-N 3.14Å
157T57.8Low67.6Low117 Ų11764 Ų6472%0.71842%0.423SS*.SBendtrans-6161.8155.841.90000110.7A159T157-A159 PolarHBondContact O-N 2.91Å; T157-A159 VanDerWaalsContact O-N 3.1Å
158A67.5Low69.8Low46 Ų4657.5 Ų57.538%0.3840%0.397SS..  trans-61.3118.7177.100000105.8C155 G156 R160C155-A158 HydrophobicContact CB-CB 4.06Å; G156-A158 PolarHBondContact O-N 3.14Å; A158-R160 WeakPolarHBondContact O-CG 3.35Å; A158-R160 PolarHBondContact O-N 2.94Å
159A79.9Confident72.1Confident30 Ų3062.8 Ų62.825%0.24841%0.406CS..  trans-51106.9174.700000109.4T157 I202 L285 A288 L293T157-A159 PolarHBondContact O-N 2.91Å; T157-A159 VanDerWaalsContact O-N 3.1Å; A159-I202 HydrophobicContact CB-CD1 3.95Å; A159-I202 HydrophobicContact CB-CG2 3.87Å; A159-L285 HydrophobicContact CB-CD2 3.94Å; A159-A288 HydrophobicContact CB-CB 3.72Å; A159-L293 HydrophobicContact CB-CD2 3.84Å
160R89.1Confident74.6Confident134 Ų13458.8 Ų58.851%0.50638%0.381SS..  trans-118.9122.5-179.4-75.7173.1-173.9-170.74108.5C155 A158 E187C155-R160 PolarHBondContact SG-NH2 2.83Å; C155-R160 VanDerWaalsContact SG-NH2 3.4Å; A158-R160 WeakPolarHBondContact O-CG 3.35Å; A158-R160 PolarHBondContact O-N 2.94Å; R160-E187 HydrophobicContact CB-CG 3.87Å; R160-E187 WeakPolarHBondContact CD-OE1 3.25Å; R160-E187 IonicContact NH1-OE1 2.92Å
161S95.6Very high76.9Confident5 Ų557.1 Ų57.14%0.03536%0.359CS..  trans-148.3111173.3174.70000107.9H190 F198 Y206 F284 L285S161-H190 WeakPolarHBondContact CB-ND1 3.47Å; S161-H190 PolarHBondContact OG-ND1 2.8Å; S161-F198 WeakPolarHBondContact OG-CZ 3.26Å; S161-Y206 WeakPolarHBondContact OG-CE1 3.46Å; S161-F284 CarbonylContact O-C 3.44Å; S161-F284 WeakPolarHBondContact O-CA 3.25Å; S161-L285 PolarHBondContact O-N 2.77Å
162A97.3Very high79.4Confident21 Ų2155.5 Ų55.517%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-152.7140.6177.800000110.2L185 N186 E187 G283 F284A162-L185 HydrophobicContact CB-CD2 3.99Å; A162-N186 CarbonylContact O-C 3.55Å; A162-E187 HydrophobicContact CB-CB 4.32Å; A162-E187 PolarHBondContact N-O 2.86Å; A162-E187 PolarHBondContact O-N 3.33Å; A162-G283 CarbonylContact C-O 3.51Å; A162-G283 WeakPolarHBondContact CA-O 3.13Å; A162-F284 HydrophobicContact CB-CB 3.69Å
163F98.2Very high82Confident1 Ų160.6 Ų60.60%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-138.5150.8170.372.5-80.2000110.1V165 L185 Y191 F198 F208 F281 T282 G283F163-V165 HydrophobicContact CD2-CG1 4.2Å; F163-V165 HydrophobicContact CD2-CG2 3.99Å; F163-V165 HydrophobicContact CE2-CG2 4.15Å; F163-L185 CarbonylContact C-O 3.55Å; F163-L185 VanDerWaalsContact CA-O 3.23Å; F163-L185 WeakPolarHBondContact CA-O 3.27Å; F163-Y191 HydrophobicContact CB-CG 4.44Å; F163-Y191 AromaticContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CE2 4.42Å; F163-Y191 AromaticContact CD2-CG 3.86Å; F163-Y191 HydrophobicContact CD2-CG 3.86Å; F163-Y191 AromaticContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CE2 4.25Å; F163-Y191 HydrophobicContact CE2-CG 4.4Å; F163-Y191 HydrophobicContact CG-CD2 4.25Å; F163-Y191 HydrophobicContact CG-CG 4.16Å; F163-Y191 HydrophobicContact CZ-CD2 4.36Å; F163-F198 HydrophobicContact CD1-CB 4.35Å; F163-F198 AromaticContact CD1-CD2 3.3Å; F163-F198 HydrophobicContact CD1-CD2 3.3Å; F163-F198 AromaticContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CG 4.05Å; F163-F198 HydrophobicContact CE1-CB 3.71Å; F163-F198 HydrophobicContact CE1-CD1 4.48Å; F163-F198 AromaticContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CE2 4.03Å; F163-F198 AromaticContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CG-CD2 4.33Å; F163-F198 HydrophobicContact CZ-CB 3.98Å; F163-F198 HydrophobicContact CZ-CD2 4.37Å; F163-F198 HydrophobicContact CZ-CG 4.34Å; F163-F208 HydrophobicContact CE1-CD1 4.25Å; F163-F208 AromaticContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CZ-CD1 4.12Å; F163-F208 AromaticContact CZ-CE1 3.99Å; F163-F208 HydrophobicContact CZ-CE1 3.99Å; F163-F281 AromaticContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD2 4.46Å; F163-F281 AromaticContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CG 4.01Å; F163-F281 HydrophobicContact CE2-CZ 4.12Å; F163-F281 AromaticContact CZ-CD1 3.98Å; F163-F281 HydrophobicContact CZ-CD1 3.98Å; F163-F281 AromaticContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE2 4.13Å; F163-F281 HydrophobicContact CZ-CG 4.44Å; F163-F281 AromaticContact CZ-CZ 3.64Å; F163-F281 HydrophobicContact CZ-CZ 3.64Å; F163-T282 WeakPolarHBondContact O-CA 3.12Å; F163-T282 WeakPolarHBondContact O-CG2 3.48Å; F163-G283 WeakPolarHBondContact CD1-O 3.47Å; F163-G283 PolarHBondContact N-O 2.82Å; F163-G283 PolarHBondContact O-N 3.29Å
164S98.1Very high84.3Confident24 Ų2460 Ų6017%0.16833%0.332CS..EExtended strand (participates in β ladder)trans-143.3126.1168.1-170.60000107.8L184 L185 T282S164-L184 WeakPolarHBondContact O-CA 3.14Å; S164-L184 VanDerWaalsContact O-CB 3.28Å; S164-L184 WeakPolarHBondContact O-CB 3.27Å; S164-L184 PolarHBondContact O-N 3.12Å; S164-L185 PolarHBondContact N-O 2.78Å; S164-L185 PolarHBondContact O-N 2.73Å; S164-T282 WeakPolarHBondContact CB-OG1 3.16Å; S164-T282 PolarHBondContact OG-OG1 3.04Å
165V97.6Very high86.4Confident0 Ų060.9 Ų60.90%032%0.324CS..EExtended strand (participates in β ladder)trans-140.7152.7-170-64.30000110.7F163 F180 R182 I183 Y191 T280 F281F163-V165 HydrophobicContact CD2-CG1 4.2Å; F163-V165 HydrophobicContact CD2-CG2 3.99Å; F163-V165 HydrophobicContact CE2-CG2 4.15Å; V165-F180 HydrophobicContact CB-CB 3.63Å; V165-F180 HydrophobicContact CB-CG 4.48Å; V165-F180 HydrophobicContact CG2-CB 3.33Å; V165-F180 HydrophobicContact CG2-CD1 4.23Å; V165-F180 HydrophobicContact CG2-CD2 4.38Å; V165-F180 HydrophobicContact CG2-CG 3.76Å; V165-R182 CarbonylContact C-O 2.94Å; V165-R182 VanDerWaalsContact CA-O 3.32Å; V165-R182 WeakPolarHBondContact CA-O 3.1Å; V165-I183 HydrophobicContact CG1-CD1 3.49Å; V165-I183 VanDerWaalsContact CG1-CD1 3.49Å; V165-Y191 HydrophobicContact CB-CE1 4.19Å; V165-Y191 HydrophobicContact CG1-CD1 3.66Å; V165-Y191 HydrophobicContact CG1-CE1 3.66Å; V165-Y191 HydrophobicContact CG1-CG 4.26Å; V165-Y191 HydrophobicContact CG2-CE1 4.05Å; V165-Y191 HydrophobicContact CG2-CE2 4.1Å; V165-T280 CarbonylContact O-C 3.6Å; V165-T280 VanDerWaalsContact O-CA 3.23Å; V165-T280 WeakPolarHBondContact O-CA 3.15Å; V165-F281 HydrophobicContact CG2-CB 4.06Å; V165-F281 HydrophobicContact CG2-CD1 4.42Å; V165-F281 VanDerWaalsContact CG2-O 3.26Å; V165-F281 WeakPolarHBondContact CG2-O 3.43Å; V165-F281 PolarHBondContact N-O 2.75Å; V165-F281 PolarHBondContact O-N 2.94Å
166A95.9Very high88.7Confident0 Ų062.7 Ų62.70%033%0.326CS..EExtended strand (participates in β ladder)trans-127.1151.717900000111.4F180 S181 R182 L184 S279 T280A166-F180 CarbonylContact O-C 3.52Å; A166-F180 WeakPolarHBondContact O-CA 3.35Å; A166-S181 PolarHBondContact O-N 2.86Å; A166-R182 HydrophobicContact CB-CB 4.2Å; A166-R182 HydrophobicContact CB-CG 4.45Å; A166-R182 PolarHBondContact N-O 2.82Å; A166-R182 WeakPolarHBondContact O-CB 3.46Å; A166-R182 PolarHBondContact O-N 3.02Å; A166-L184 HydrophobicContact CB-CD1 4.49Å; A166-S279 VanDerWaalsContact CA-O 3.32Å; A166-S279 WeakPolarHBondContact CA-O 3.37Å; A166-T280 HydrophobicContact CB-CG2 4.36Å
167V95.7Very high90.9Very high3 Ų361.1 Ų61.12%0.01831%0.306CS..  trans-72.2159.5170.2-62.60000110.8I178 F180 L270 F272 S279V167-I178 HydrophobicContact CG1-CG2 4.09Å; V167-F180 HydrophobicContact CB-CD1 4.46Å; V167-F180 HydrophobicContact CG1-CD1 3.47Å; V167-F180 VanDerWaalsContact CG1-CD1 3.47Å; V167-F180 HydrophobicContact CG1-CE1 3.51Å; V167-F180 HydrophobicContact CG1-CG 4.07Å; V167-F180 HydrophobicContact CG1-CZ 4.14Å; V167-L270 HydrophobicContact CB-CD2 4.38Å; V167-L270 HydrophobicContact CG1-CD1 4.5Å; V167-L270 HydrophobicContact CG1-CD2 4.06Å; V167-L270 HydrophobicContact CG2-CD2 4.04Å; V167-F272 HydrophobicContact CG2-CB 3.87Å; V167-F272 HydrophobicContact CG2-CD2 4.14Å; V167-F272 HydrophobicContact CG2-CG 4.25Å; V167-F272 WeakPolarHBondContact O-CD2 3.35Å; V167-F272 WeakPolarHBondContact O-CE2 3.38Å; V167-S279 PolarHBondContact N-O 3.32Å
168T93.1Very high92.8Very high55 Ų5555.6 Ų55.634%0.33727%0.272SS..SBendtrans-126.74.3172.858.90000112.6S181 R182 F272T168-S181 VanDerWaalsContact CG2-OG 3.22Å; T168-S181 WeakPolarHBondContact CG2-OG 3.26Å; T168-S181 PolarHBondContact OG1-OG 3.25Å; T168-R182 HydrophobicContact CG2-CB 3.7Å; T168-F272 VanDerWaalsContact C-CE1 3.48Å; T168-F272 WeakPolarHBondContact O-CD1 3.49Å; T168-F272 WeakPolarHBondContact O-CE1 3.46Å
169K92.9Very high94.1Very high159 Ų15957.1 Ų57.169%0.69127%0.273SS*.SBendtrans-146.5135-175.2-62.9-176.6-177.6179.40109.2
170S94.4Very high94.8Very high33 Ų3355.7 Ų55.723%0.23126%0.261CS..SBendtrans-72158.1169-52.10000110.7L270 F271 F272S170-L270 WeakPolarHBondContact CA-O 3.31Å; S170-F271 WeakPolarHBondContact OG-CD2 3.38Å; S170-F272 PolarHBondContact OG-N 3.48Å; S170-F272 PolarHBondContact OG-O 3.13Å; S170-F272 VanDerWaalsContact OG-O 3.13Å
171Y93.9Very high95Very high91 Ų9152 Ų5236%0.35726%0.256SS..SBendtrans54.459.4171.6-43.7-61.3000113.8N216 N268 L270Y171-N216 PolarHBondContact OH-ND2 2.94Å; Y171-N268 WeakPolarHBondContact CD1-O 3.45Å; Y171-N268 WeakPolarHBondContact CE1-O 3.44Å; Y171-L270 PolarHBondContact N-O 3.4Å
172P94Very high94.9Very high22 Ų2257 Ų5714%0.14327%0.274CS..PPolyproline II helixtrans-61.2159.1175.929.4-36.4000110.8E174 I178 I262 N268 L270P172-E174 PolarHBondContact O-N 2.99Å; P172-I178 HydrophobicContact CB-CG1 4.2Å; P172-I178 HydrophobicContact CB-CG2 4.04Å; P172-I178 HydrophobicContact CG-CD1 4.29Å; P172-I178 HydrophobicContact CG-CG1 3.86Å; P172-I178 HydrophobicContact CG-CG2 3.98Å; P172-I262 HydrophobicContact CG-CG1 4.44Å; P172-N268 PolarHBondContact O-ND2 2.87Å; P172-L270 HydrophobicContact CG-CD1 4.31Å; P172-L270 HydrophobicContact CG-CD2 4.42Å
173K92.6Very high94.7Very high170 Ų17059.7 Ų59.774%0.73929%0.285SS*.PPolyproline II helixtrans-56.9131.4178.8-67.5-174.8178.3-177.60111
174E92.5Very high94.4Very high68 Ų6863.8 Ų63.832%0.31831%0.306SS..THydrogen-bonded Turntrans-78.1158.7-178.8-49.487.9175.800111.7P172 M176 I262 N268P172-E174 PolarHBondContact O-N 2.99Å; E174-M176 PolarHBondContact O-N 2.86Å; E174-I262 HydrophobicContact CB-CB 4.37Å; E174-I262 HydrophobicContact CB-CG2 4.29Å; E174-I262 HydrophobicContact CG-CB 4.31Å; E174-I262 HydrophobicContact CG-CG2 3.97Å; E174-N268 HydrophobicContact CG-CB 3.96Å; E174-N268 PolarHBondContact OE1-ND2 3.24Å
175R90.9Very high94.1Very high168 Ų16866.7 Ų66.763%0.63432%0.32SS*.THydrogen-bonded Turntrans59.112.5-178.5-54.4179-178.9-113.81.8114.9I262R175-I262 WeakPolarHBondContact CA-O 3.37Å; R175-I262 PolarHBondContact N-O 2.89Å
176M94.2Very high93.9Very high111 Ų11168.3 Ų68.355%0.54733%0.328SS..SBendtrans-124.4156.3175.8-62.3-62.9-70.600109.1E174 I178 Q261E174-M176 PolarHBondContact O-N 2.86Å; M176-I178 PolarHBondContact O-N 2.64Å; M176-Q261 WeakPolarHBondContact O-CB 3.32Å
177P97.3Very high93.7Very high26 Ų2672.1 Ų72.117%0.16935%0.346CS..BIsolated β-bridgetrans-53136.9169.5-23.833.1000111.5N179 S195 K197 W259P177-N179 PolarHBondContact O-OD1 3.14Å; P177-S195 VanDerWaalsContact CB-O 3.25Å; P177-S195 WeakPolarHBondContact CB-O 3.28Å; P177-K197 HydrophobicContact CB-CG 4.35Å; P177-K197 HydrophobicContact CG-CG 4.37Å; P177-W259 HydrophobicContact CB-CB 4.37Å; P177-W259 HydrophobicContact CB-CG 4.07Å; P177-W259 HydrophobicContact CG-CG 4.21Å
178I97.4Very high93.3Very high1 Ų173.9 Ų73.91%0.00536%0.364CS..  trans-78.8125.5176-63.7162.5000108.4V167 P172 M176 F180 G196 I221 L260 I262 L270V167-I178 HydrophobicContact CG1-CG2 4.09Å; P172-I178 HydrophobicContact CB-CG1 4.2Å; P172-I178 HydrophobicContact CB-CG2 4.04Å; P172-I178 HydrophobicContact CG-CD1 4.29Å; P172-I178 HydrophobicContact CG-CG1 3.86Å; P172-I178 HydrophobicContact CG-CG2 3.98Å; M176-I178 PolarHBondContact O-N 2.64Å; I178-F180 HydrophobicContact CB-CD2 4.38Å; I178-F180 HydrophobicContact CB-CE2 3.8Å; I178-F180 HydrophobicContact CB-CZ 4.47Å; I178-F180 HydrophobicContact CG2-CD2 3.99Å; I178-F180 HydrophobicContact CG2-CE2 3.57Å; I178-F180 HydrophobicContact CG2-CZ 3.96Å; I178-F180 WeakPolarHBondContact O-CD2 3.34Å; I178-F180 PolarHBondContact O-N 3.32Å; I178-G196 VanDerWaalsContact O-CA 3.32Å; I178-G196 WeakPolarHBondContact O-CA 3.44Å; I178-I221 HydrophobicContact CD1-CD1 3.7Å; I178-I221 HydrophobicContact CD1-CG1 4.12Å; I178-L260 HydrophobicContact CD1-CB 4.17Å; I178-L260 PolarHBondContact N-O 3.27Å; I178-I262 HydrophobicContact CD1-CD1 4.06Å; I178-I262 HydrophobicContact CD1-CG1 4.02Å; I178-L270 HydrophobicContact CD1-CD1 4.11Å
179N95.5Very high93.3Very high77 Ų7777.6 Ų77.641%0.41238%0.382SS..  trans-84.297.2177.7-70.733.1000110.7P177 S181 A193 S194P177-N179 PolarHBondContact O-OD1 3.14Å; N179-S181 PolarHBondContact O-N 3.08Å; N179-A193 PolarHBondContact ND2-O 3.11Å; N179-S194 PolarHBondContact ND2-O 2.85Å
180F95.7Very high93.4Very high0 Ų071.1 Ų71.10%036%0.355CS..  trans-78.997.6165.7-58-106.2000108.5V165 A166 V167 I178 Y191 I212 L260 F281V165-F180 HydrophobicContact CB-CB 3.63Å; V165-F180 HydrophobicContact CB-CG 4.48Å; V165-F180 HydrophobicContact CG2-CB 3.33Å; V165-F180 HydrophobicContact CG2-CD1 4.23Å; V165-F180 HydrophobicContact CG2-CD2 4.38Å; V165-F180 HydrophobicContact CG2-CG 3.76Å; A166-F180 CarbonylContact O-C 3.52Å; A166-F180 WeakPolarHBondContact O-CA 3.35Å; V167-F180 HydrophobicContact CB-CD1 4.46Å; V167-F180 HydrophobicContact CG1-CD1 3.47Å; V167-F180 VanDerWaalsContact CG1-CD1 3.47Å; V167-F180 HydrophobicContact CG1-CE1 3.51Å; V167-F180 HydrophobicContact CG1-CG 4.07Å; V167-F180 HydrophobicContact CG1-CZ 4.14Å; I178-F180 HydrophobicContact CB-CD2 4.38Å; I178-F180 HydrophobicContact CB-CE2 3.8Å; I178-F180 HydrophobicContact CB-CZ 4.47Å; I178-F180 HydrophobicContact CG2-CD2 3.99Å; I178-F180 HydrophobicContact CG2-CE2 3.57Å; I178-F180 HydrophobicContact CG2-CZ 3.96Å; I178-F180 WeakPolarHBondContact O-CD2 3.34Å; I178-F180 PolarHBondContact O-N 3.32Å; F180-Y191 VanDerWaalsContact CB-OH 3.31Å; F180-Y191 WeakPolarHBondContact CB-OH 3.26Å; F180-Y191 PolarHBondContact N-OH 2.89Å; F180-Y191 WeakPolarHBondContact O-CE1 3.26Å; F180-Y191 PolarHBondContact O-OH 3.01Å; F180-I212 HydrophobicContact CE1-CD1 4.39Å; F180-I212 HydrophobicContact CZ-CD1 4.34Å; F180-L260 HydrophobicContact CE2-CB 4.17Å; F180-L260 HydrophobicContact CE2-CD1 3.93Å; F180-L260 HydrophobicContact CZ-CB 4.49Å; F180-L260 HydrophobicContact CZ-CD1 3.64Å; F180-F281 HydrophobicContact CD1-CB 4Å; F180-F281 HydrophobicContact CD2-CB 4.17Å; F180-F281 HydrophobicContact CD2-CD1 4.33Å; F180-F281 HydrophobicContact CE1-CB 3.72Å; F180-F281 HydrophobicContact CE2-CB 3.91Å; F180-F281 HydrophobicContact CE2-CD1 4.24Å; F180-F281 HydrophobicContact CE2-CG 4.42Å; F180-F281 HydrophobicContact CG-CB 4.25Å; F180-F281 HydrophobicContact CZ-CB 3.71Å
181S92.4Very high93.6Very high56 Ų5669.8 Ų69.839%0.39234%0.344SS..  trans-85.9-20.6-17261.10000114.1A166 T168 N179A166-S181 PolarHBondContact O-N 2.86Å; T168-S181 VanDerWaalsContact CG2-OG 3.22Å; T168-S181 WeakPolarHBondContact CG2-OG 3.26Å; T168-S181 PolarHBondContact OG1-OG 3.25Å; N179-S181 PolarHBondContact O-N 3.08Å
182R93Very high93.6Very high111 Ų11169.1 Ų69.142%0.41935%0.347SS..EExtended strand (participates in β ladder)trans-89.7109.6-179.5179.2178.2177.6-154.4-1.4108.5V165 A166 T168 L184 D278V165-R182 CarbonylContact C-O 2.94Å; V165-R182 VanDerWaalsContact CA-O 3.32Å; V165-R182 WeakPolarHBondContact CA-O 3.1Å; A166-R182 HydrophobicContact CB-CB 4.2Å; A166-R182 HydrophobicContact CB-CG 4.45Å; A166-R182 PolarHBondContact N-O 2.82Å; A166-R182 WeakPolarHBondContact O-CB 3.46Å; A166-R182 PolarHBondContact O-N 3.02Å; T168-R182 HydrophobicContact CG2-CB 3.7Å; R182-L184 HydrophobicContact CG-CD2 4.29Å; R182-D278 IonicContact NH1-OD1 2.99Å; R182-D278 PolarHBondContact NH1-OD1 2.85Å; R182-D278 IonicContact NH1-OD2 2.97Å; R182-D278 PolarHBondContact NH1-OD2 3.25Å
183I92.6Very high93.6Very high78 Ų7869.4 Ų69.440%0.435%0.351SS..EExtended strand (participates in β ladder)trans-83122.7178.6-54.7-56.7000109.6V165 N186 Y191 A193V165-I183 HydrophobicContact CG1-CD1 3.49Å; V165-I183 VanDerWaalsContact CG1-CD1 3.49Å; I183-N186 HydrophobicContact CG2-CB 3.76Å; I183-Y191 HydrophobicContact CD1-CD1 4Å; I183-Y191 HydrophobicContact CD1-CE1 4.14Å; I183-A193 HydrophobicContact CD1-CB 4.12Å
184L92.5Very high93.6Very high87 Ų8766.3 Ų66.346%0.45535%0.351SS..EExtended strand (participates in β ladder)trans-96.8-39.2170.4-50.1176.8000110.2S164 A166 R182S164-L184 WeakPolarHBondContact O-CA 3.14Å; S164-L184 VanDerWaalsContact O-CB 3.28Å; S164-L184 WeakPolarHBondContact O-CB 3.27Å; S164-L184 PolarHBondContact O-N 3.12Å; A166-L184 HydrophobicContact CB-CD1 4.49Å; R182-L184 HydrophobicContact CG-CD2 4.29Å
185L92.9Very high93.7Very high85 Ų8565 Ų6545%0.44535%0.35SS..EExtended strand (participates in β ladder)trans-150.4142.4174.9177.667.7000109.1A162 F163 S164 E187A162-L185 HydrophobicContact CB-CD2 3.99Å; F163-L185 CarbonylContact C-O 3.55Å; F163-L185 VanDerWaalsContact CA-O 3.23Å; F163-L185 WeakPolarHBondContact CA-O 3.27Å; S164-L185 PolarHBondContact N-O 2.78Å; S164-L185 PolarHBondContact O-N 2.73Å; L185-E187 HydrophobicContact CD1-CB 4.41Å
186N93.5Very high93.9Very high33 Ų3357 Ų5718%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-151.660.2171.9-165.516.5000111A162 I183 G188 N189 H190 Y191A162-N186 CarbonylContact O-C 3.55Å; I183-N186 HydrophobicContact CG2-CB 3.76Å; N186-G188 PolarHBondContact O-N 3.31Å; N186-N189 PolarHBondContact O-N 2.85Å; N186-H190 PolarHBondContact OD1-N 2.98Å; N186-Y191 PolarHBondContact ND2-O 3.09Å; N186-Y191 WeakPolarHBondContact OD1-CB 3.48Å; N186-Y191 PolarHBondContact OD1-N 2.81Å
187E90.8Very high94.1Very high81 Ų8154 Ų5438%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-63.7126.1177.7-173.471174.200110.3R160 A162 L185 N189R160-E187 HydrophobicContact CB-CG 3.87Å; R160-E187 WeakPolarHBondContact CD-OE1 3.25Å; R160-E187 IonicContact NH1-OE1 2.92Å; A162-E187 HydrophobicContact CB-CB 4.32Å; A162-E187 PolarHBondContact N-O 2.86Å; A162-E187 PolarHBondContact O-N 3.33Å; L185-E187 HydrophobicContact CD1-CB 4.41Å; E187-N189 VanDerWaalsContact C-N 3.29Å
188G87.2Confident94.1Very high39 Ų3952.8 Ų52.840%0.40230%0.295SS..THydrogen-bonded Turntrans84-5.5-173.300000114.5N186 H190N186-G188 PolarHBondContact O-N 3.31Å; G188-H190 VanDerWaalsContact C-CD2 3.49Å; G188-H190 PolarHBondContact O-CD2 3.2Å; G188-H190 PolarHBondContact O-N 2.78Å; G188-H190 PolarHBondContact O-NE2 2.57Å; G188-H190 VanDerWaalsContact O-NE2 3.16Å
189N92.6Very high94.2Very high134 Ų13454.6 Ų54.672%0.71731%0.306SS*.THydrogen-bonded Turntrans55.330.9-175.7-60.8-59.8000113.7N186 E187N186-N189 PolarHBondContact O-N 2.85Å; E187-N189 VanDerWaalsContact C-N 3.29Å
190H95.8Very high94.2Very high23 Ų2350.9 Ų50.911%0.10629%0.287CS..  trans-81.9-13.9-176-60.6156.6000113.3S161 N186 G188 F198 V199 Q201S161-H190 WeakPolarHBondContact CB-ND1 3.47Å; S161-H190 PolarHBondContact OG-ND1 2.8Å; N186-H190 PolarHBondContact OD1-N 2.98Å; G188-H190 VanDerWaalsContact C-CD2 3.49Å; G188-H190 PolarHBondContact O-CD2 3.2Å; G188-H190 PolarHBondContact O-N 2.78Å; G188-H190 PolarHBondContact O-NE2 2.57Å; G188-H190 VanDerWaalsContact O-NE2 3.16Å; H190-F198 HydrophobicContact CB-CD2 3.94Å; H190-F198 HydrophobicContact CB-CE2 3.43Å; H190-F198 VanDerWaalsContact CB-CE2 3.43Å; H190-F198 HydrophobicContact CB-CZ 4.18Å; H190-V199 WeakPolarHBondContact CB-O 3.44Å; H190-V199 PolarHBondContact O-N 2.83Å; H190-Q201 WeakPolarHBondContact CD2-CG 3.33Å; H190-Q201 WeakPolarHBondContact NE2-CB 3.26Å; H190-Q201 WeakPolarHBondContact NE2-CG 3.25Å
191Y97.4Very high94.2Very high5 Ų554.7 Ų54.72%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-97.9132.7170.6179.8-91.1000111.7F163 V165 F180 I183 N186 A193 G196 F198 F281F163-Y191 HydrophobicContact CB-CG 4.44Å; F163-Y191 AromaticContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CE2 4.42Å; F163-Y191 AromaticContact CD2-CG 3.86Å; F163-Y191 HydrophobicContact CD2-CG 3.86Å; F163-Y191 AromaticContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CE2 4.25Å; F163-Y191 HydrophobicContact CE2-CG 4.4Å; F163-Y191 HydrophobicContact CG-CD2 4.25Å; F163-Y191 HydrophobicContact CG-CG 4.16Å; F163-Y191 HydrophobicContact CZ-CD2 4.36Å; V165-Y191 HydrophobicContact CB-CE1 4.19Å; V165-Y191 HydrophobicContact CG1-CD1 3.66Å; V165-Y191 HydrophobicContact CG1-CE1 3.66Å; V165-Y191 HydrophobicContact CG1-CG 4.26Å; V165-Y191 HydrophobicContact CG2-CE1 4.05Å; V165-Y191 HydrophobicContact CG2-CE2 4.1Å; F180-Y191 VanDerWaalsContact CB-OH 3.31Å; F180-Y191 WeakPolarHBondContact CB-OH 3.26Å; F180-Y191 PolarHBondContact N-OH 2.89Å; F180-Y191 WeakPolarHBondContact O-CE1 3.26Å; F180-Y191 PolarHBondContact O-OH 3.01Å; I183-Y191 HydrophobicContact CD1-CD1 4Å; I183-Y191 HydrophobicContact CD1-CE1 4.14Å; N186-Y191 PolarHBondContact ND2-O 3.09Å; N186-Y191 WeakPolarHBondContact OD1-CB 3.48Å; N186-Y191 PolarHBondContact OD1-N 2.81Å; Y191-A193 HydrophobicContact CE1-CB 4.2Å; Y191-G196 WeakPolarHBondContact OH-CA 3.32Å; Y191-F198 HydrophobicContact CD2-CB 4.31Å; Y191-F281 HydrophobicContact CE2-CD1 4.38Å
192N95.8Very high94.3Very high76 Ų7652.8 Ų52.841%0.40629%0.289SS..EExtended strand (participates in β ladder)trans-108.4107.9177.8-178.2-26.7000110.7S194 S195 G196 K197N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3Å; N192-S194 WeakPolarHBondContact OD1-CA 3.42Å; N192-S194 WeakPolarHBondContact OD1-CB 3.4Å; N192-S194 PolarHBondContact OD1-N 3.44Å; N192-S195 WeakPolarHBondContact CB-OG 3.18Å; N192-S195 PolarHBondContact O-N 3.12Å; N192-S195 PolarHBondContact O-OG 3.21Å; N192-S195 PolarHBondContact OD1-N 2.96Å; N192-G196 PolarHBondContact O-N 2.82Å; N192-K197 PolarHBondContact N-O 2.89Å; N192-K197 PolarHBondContact O-N 2.95Å
193A92.9Very high94.4Very high29 Ų2948.3 Ų48.324%0.2428%0.275CS..THydrogen-bonded Turntrans-63.7-28.8-179.400000114.4N179 I183 Y191N179-A193 PolarHBondContact ND2-O 3.11Å; I183-A193 HydrophobicContact CD1-CB 4.12Å; Y191-A193 HydrophobicContact CE1-CB 4.2Å
194S91.8Very high94.5Very high105 Ų10544.6 Ų44.673%0.73426%0.256SS*.THydrogen-bonded Turntrans-74-30.5179.6-57.70000111.8N179 N192N179-S194 PolarHBondContact ND2-O 2.85Å; N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3Å; N192-S194 WeakPolarHBondContact OD1-CA 3.42Å; N192-S194 WeakPolarHBondContact OD1-CB 3.4Å; N192-S194 PolarHBondContact OD1-N 3.44Å
195S94.8Very high94.7Very high41 Ų4142.3 Ų42.329%0.28725%0.245SC..THydrogen-bonded Turntrans-101-16178.469.20000114.3P177 N192 K197P177-S195 VanDerWaalsContact CB-O 3.25Å; P177-S195 WeakPolarHBondContact CB-O 3.28Å; N192-S195 WeakPolarHBondContact CB-OG 3.18Å; N192-S195 PolarHBondContact O-N 3.12Å; N192-S195 PolarHBondContact O-OG 3.21Å; N192-S195 PolarHBondContact OD1-N 2.96Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 3.27Å; S195-K197 PolarHBondContact OG-N 2.77Å
196G95.4Very high95Very high0 Ų038.3 Ų38.30%022%0.224CC..THydrogen-bonded Turntrans75.214.8-175.500000114.2I178 Y191 N192 W259I178-G196 VanDerWaalsContact O-CA 3.32Å; I178-G196 WeakPolarHBondContact O-CA 3.44Å; Y191-G196 WeakPolarHBondContact OH-CA 3.32Å; N192-G196 PolarHBondContact O-N 2.82Å; G196-W259 WeakPolarHBondContact O-CB 3.45Å
197K98.2Very high95.2Very high47 Ų4740 Ų4020%0.20423%0.229CC..EExtended strand (participates in β ladder)trans-117.4139.1-170.9-58.4-173.6172-176.70112.5P177 N192 S195 Q257 W259P177-K197 HydrophobicContact CB-CG 4.35Å; P177-K197 HydrophobicContact CG-CG 4.37Å; N192-K197 PolarHBondContact N-O 2.89Å; N192-K197 PolarHBondContact O-N 2.95Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 3.27Å; S195-K197 PolarHBondContact OG-N 2.77Å; K197-Q257 VanDerWaalsContact CD-OE1 3.27Å; K197-W259 HydrophobicContact CB-CB 4.44Å; K197-W259 HydrophobicContact CD-CE3 4.25Å; K197-W259 HydrophobicContact CG-CB 3.99Å; K197-W259 HydrophobicContact CG-CD2 4.41Å; K197-W259 HydrophobicContact CG-CE3 4.39Å; K197-W259 HydrophobicContact CG-CG 4.28Å
198F98.6Very high95.6Very high1 Ų136.1 Ų36.10%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-83.9134.2158.7175-98.8000109.5S161 F163 H190 Y191 C200 Y206 F208 L252 Q257 V258S161-F198 WeakPolarHBondContact OG-CZ 3.26Å; F163-F198 HydrophobicContact CD1-CB 4.35Å; F163-F198 AromaticContact CD1-CD2 3.3Å; F163-F198 HydrophobicContact CD1-CD2 3.3Å; F163-F198 AromaticContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CG 4.05Å; F163-F198 HydrophobicContact CE1-CB 3.71Å; F163-F198 HydrophobicContact CE1-CD1 4.48Å; F163-F198 AromaticContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CE2 4.03Å; F163-F198 AromaticContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CG-CD2 4.33Å; F163-F198 HydrophobicContact CZ-CB 3.98Å; F163-F198 HydrophobicContact CZ-CD2 4.37Å; F163-F198 HydrophobicContact CZ-CG 4.34Å; H190-F198 HydrophobicContact CB-CD2 3.94Å; H190-F198 HydrophobicContact CB-CE2 3.43Å; H190-F198 VanDerWaalsContact CB-CE2 3.43Å; H190-F198 HydrophobicContact CB-CZ 4.18Å; Y191-F198 HydrophobicContact CD2-CB 4.31Å; F198-C200 HydrophobicContact CE1-CB 4.08Å; F198-Y206 HydrophobicContact CE1-CD1 4.27Å; F198-Y206 HydrophobicContact CE1-CE1 4.04Å; F198-Y206 HydrophobicContact CE2-CE1 4.49Å; F198-Y206 HydrophobicContact CZ-CD1 4.06Å; F198-Y206 AromaticContact CZ-CE1 3.52Å; F198-Y206 HydrophobicContact CZ-CE1 3.52Å; F198-F208 AromaticContact CD1-CE1 3.99Å; F198-F208 HydrophobicContact CD1-CE1 3.99Å; F198-F208 AromaticContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CE1-CE1 4.48Å; F198-F208 HydrophobicContact CE1-CZ 4.02Å; F198-F208 HydrophobicContact CG-CE1 4.26Å; F198-L252 HydrophobicContact CD1-CD1 4.32Å; F198-L252 HydrophobicContact CE1-CD1 3.83Å; F198-Q257 CarbonylContact O-C 3.59Å; F198-Q257 VanDerWaalsContact O-CA 3.28Å; F198-Q257 WeakPolarHBondContact O-CA 3.32Å; F198-V258 HydrophobicContact CD1-CB 4.36Å; F198-V258 PolarHBondContact N-O 2.99Å; F198-V258 PolarHBondContact O-N 3.5Å
199V98.1Very high96.2Very high38 Ų3835.6 Ų35.623%0.2320%0.199CC..EExtended strand (participates in β ladder)trans-119.7115.1175.5-174.10000108.4H190 Q201 D256 Q257H190-V199 WeakPolarHBondContact CB-O 3.44Å; H190-V199 PolarHBondContact O-N 2.83Å; V199-Q201 PolarHBondContact O-N 2.76Å; V199-D256 WeakPolarHBondContact CA-O 3.41Å; V199-Q257 HydrophobicContact CG2-CG 4.31Å
200C97.1Very high96.4Very high0 Ų029.2 Ų29.20%017%0.166CC..  trans-64.6119.2179.9-179.20000110.7F198 I202 L252 K253 S255 D256F198-C200 HydrophobicContact CE1-CB 4.08Å; C200-I202 VanDerWaalsContact SG-C 3.59Å; C200-I202 PolarHBondContact SG-O 2.81Å; C200-L252 HydrophobicContact CB-CB 4.09Å; C200-L252 HydrophobicContact CB-CD1 4.14Å; C200-K253 VanDerWaalsContact CB-O 3.31Å; C200-K253 WeakPolarHBondContact CB-O 3.36Å; C200-K253 PolarHBondContact SG-O 3.15Å; C200-S255 WeakPolarHBondContact O-CA 3.42Å; C200-S255 PolarHBondContact O-N 2.86Å; C200-D256 HydrophobicContact CB-CB 4.21Å; C200-D256 WeakPolarHBondContact CB-O 3.33Å; C200-D256 PolarHBondContact N-O 3.4Å
201Q94.7Very high96.5Very high79 Ų7931.3 Ų31.337%0.36918%0.177SC..SBendtrans-100.9-24169.5-64.3-60.1-28.200112.6H190 V199H190-Q201 WeakPolarHBondContact CD2-CG 3.33Å; H190-Q201 WeakPolarHBondContact NE2-CB 3.26Å; H190-Q201 WeakPolarHBondContact NE2-CG 3.25Å; V199-Q201 PolarHBondContact O-N 2.76Å
202I94.4Very high96.5Very high16 Ų1631 Ų318%0.08218%0.176CC..SBendtrans-116.7108.1-177-57.6176.9000107.8A159 C200 Y206 L285 A288 F292A159-I202 HydrophobicContact CB-CD1 3.95Å; A159-I202 HydrophobicContact CB-CG2 3.87Å; C200-I202 VanDerWaalsContact SG-C 3.59Å; C200-I202 PolarHBondContact SG-O 2.81Å; I202-Y206 VanDerWaalsContact O-CE2 3.27Å; I202-Y206 WeakPolarHBondContact O-CE2 3.49Å; I202-Y206 PolarHBondContact O-OH 3.16Å; I202-L285 HydrophobicContact CB-CD2 4.43Å; I202-L285 HydrophobicContact CG2-CD2 3.83Å; I202-A288 HydrophobicContact CG2-CB 4.1Å; I202-F292 HydrophobicContact CB-CE1 4.38Å; I202-F292 HydrophobicContact CG1-CE1 4.19Å; I202-F292 HydrophobicContact CG1-CZ 4.26Å; I202-F292 HydrophobicContact CG2-CD1 3.98Å; I202-F292 HydrophobicContact CG2-CE1 3.81Å; I202-F292 HydrophobicContact CG2-CZ 4.47Å
203P95.2Very high96.5Very high17 Ų1728 Ų2811%0.1116%0.161CC..  trans-56.1141.3174.3-23.233.4000112.2L252 Q254 D289 F292P203-L252 VanDerWaalsContact CA-O 3.31Å; P203-L252 WeakPolarHBondContact CA-O 3.13Å; P203-Q254 HydrophobicContact CG-CB 4.03Å; P203-D289 HydrophobicContact CB-CB 4.25Å; P203-D289 VanDerWaalsContact CB-OD2 3.26Å; P203-D289 WeakPolarHBondContact CB-OD2 3.36Å; P203-D289 PolarHBondContact O-N 2.78Å; P203-F292 HydrophobicContact CG-CD2 4.22Å
204G95.3Very high96.6Very high0 Ų026.7 Ų26.70%015%0.149CC..EExtended strand (participates in β ladder)trans152.8-165.6177.900000114.5Y206 N251 L252 Y287 D289G204-Y206 WeakPolarHBondContact O-CD2 3.25Å; G204-N251 WeakPolarHBondContact O-CA 3.4Å; G204-N251 PolarHBondContact O-OD1 3.35Å; G204-N251 VanDerWaalsContact O-OD1 3.12Å; G204-L252 PolarHBondContact N-O 2.89Å; G204-L252 PolarHBondContact O-N 2.96Å; G204-Y287 CarbonylContact C-O 3.52Å; G204-Y287 VanDerWaalsContact CA-O 3.26Å; G204-Y287 WeakPolarHBondContact CA-O 3.31Å; G204-D289 WeakPolarHBondContact CA-OD1 3.31Å
205V97.1Very high96.7Very high40 Ų4021.7 Ų21.724%0.24211%0.114CC..EExtended strand (participates in β ladder)trans-93.3121.9-177-176.40000110.1V249 I286 Y287V205-V249 HydrophobicContact CG1-CG1 3.29Å; V205-I286 HydrophobicContact CG1-CD1 4.18Å; V205-I286 WeakPolarHBondContact O-CB 3.24Å; V205-I286 PolarHBondContact O-N 3.04Å; V205-Y287 HydrophobicContact CB-CD2 4.49Å; V205-Y287 PolarHBondContact N-O 2.86Å; V205-Y287 PolarHBondContact O-N 3.4Å
206Y98.4Very high96.5Very high0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-115.9141.7-178.7-75-98.9000111.7S161 F198 I202 G204 F208 V249 L250 L252 F284 L285S161-Y206 WeakPolarHBondContact OG-CE1 3.46Å; F198-Y206 HydrophobicContact CE1-CD1 4.27Å; F198-Y206 HydrophobicContact CE1-CE1 4.04Å; F198-Y206 HydrophobicContact CE2-CE1 4.49Å; F198-Y206 HydrophobicContact CZ-CD1 4.06Å; F198-Y206 AromaticContact CZ-CE1 3.52Å; F198-Y206 HydrophobicContact CZ-CE1 3.52Å; I202-Y206 VanDerWaalsContact O-CE2 3.27Å; I202-Y206 WeakPolarHBondContact O-CE2 3.49Å; I202-Y206 PolarHBondContact O-OH 3.16Å; G204-Y206 WeakPolarHBondContact O-CD2 3.25Å; Y206-F208 VanDerWaalsContact CB-CE2 3.43Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.25Å; Y206-F208 HydrophobicContact CG-CZ 4.35Å; Y206-V249 CarbonylContact O-C 3.58Å; Y206-V249 VanDerWaalsContact O-CA 3.25Å; Y206-V249 WeakPolarHBondContact O-CA 3.42Å; Y206-L250 PolarHBondContact N-O 2.81Å; Y206-L250 PolarHBondContact O-N 2.91Å; Y206-L252 HydrophobicContact CD2-CB 3.92Å; Y206-L252 HydrophobicContact CD2-CD1 3.68Å; Y206-L252 HydrophobicContact CD2-CG 3.83Å; Y206-L252 HydrophobicContact CE2-CB 4.12Å; Y206-L252 HydrophobicContact CE2-CD1 4.16Å; Y206-L252 HydrophobicContact CE2-CG 4.45Å; Y206-L252 HydrophobicContact CG-CD1 3.89Å; Y206-L252 HydrophobicContact CG-CG 4.37Å; Y206-F284 WeakPolarHBondContact CA-O 3.34Å; Y206-L285 HydrophobicContact CD1-CB 4.18Å; Y206-L285 HydrophobicContact CD2-CD1 4.06Å; Y206-L285 HydrophobicContact CE1-CB 3.71Å; Y206-L285 HydrophobicContact CE1-CD1 4.14Å; Y206-L285 HydrophobicContact CE2-CD1 3.57Å
207Y98.7Very high96.4Very high69 Ų6930 Ų3027%0.27115%0.151SC..EExtended strand (participates in β ladder)trans-96.8134164.7-175.8-106.6000109.4T209 S247 V249 G283 F284Y207-T209 HydrophobicContact CE1-CG2 3.9Å; Y207-S247 WeakPolarHBondContact OH-CB 3.36Å; Y207-S247 PolarHBondContact OH-OG 2.83Å; Y207-S247 VanDerWaalsContact OH-OG 3.14Å; Y207-V249 HydrophobicContact CD2-CG2 3.95Å; Y207-G283 CarbonylContact O-C 3.52Å; Y207-G283 WeakPolarHBondContact O-CA 3.47Å; Y207-F284 HydrophobicContact CD1-CD1 4.44Å; Y207-F284 AromaticContact CD1-CE1 3.55Å; Y207-F284 HydrophobicContact CD1-CE1 3.55Å; Y207-F284 AromaticContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CE1-CE1 4.38Å; Y207-F284 HydrophobicContact CG-CE1 4.33Å; Y207-F284 HydrophobicContact CG-CZ 4.09Å; Y207-F284 PolarHBondContact N-O 2.99Å; Y207-F284 PolarHBondContact O-N 2.81Å
208F98.8Very high96.2Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-123.2138.4171.9-67.7-85.5000109.8F163 F198 Y206 L223 S247 T248 L250 L252 V258 F281 T282F163-F208 HydrophobicContact CE1-CD1 4.25Å; F163-F208 AromaticContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CZ-CD1 4.12Å; F163-F208 AromaticContact CZ-CE1 3.99Å; F163-F208 HydrophobicContact CZ-CE1 3.99Å; F198-F208 AromaticContact CD1-CE1 3.99Å; F198-F208 HydrophobicContact CD1-CE1 3.99Å; F198-F208 AromaticContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CE1-CE1 4.48Å; F198-F208 HydrophobicContact CE1-CZ 4.02Å; F198-F208 HydrophobicContact CG-CE1 4.26Å; Y206-F208 VanDerWaalsContact CB-CE2 3.43Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.25Å; Y206-F208 HydrophobicContact CG-CZ 4.35Å; F208-L223 HydrophobicContact CB-CD1 4.17Å; F208-L223 HydrophobicContact CB-CD2 4.28Å; F208-S247 CarbonylContact O-C 3.6Å; F208-S247 WeakPolarHBondContact O-CA 3.44Å; F208-S247 VanDerWaalsContact O-CB 3.27Å; F208-S247 WeakPolarHBondContact O-CB 3.25Å; F208-T248 PolarHBondContact N-O 2.99Å; F208-T248 PolarHBondContact O-N 2.97Å; F208-L250 HydrophobicContact CD2-CB 4.45Å; F208-L250 HydrophobicContact CD2-CD1 3.98Å; F208-L250 HydrophobicContact CD2-CG 4.25Å; F208-L250 HydrophobicContact CE2-CB 4.3Å; F208-L250 HydrophobicContact CE2-CD1 4.07Å; F208-L250 HydrophobicContact CE2-CG 4.48Å; F208-L252 HydrophobicContact CE2-CD1 3.84Å; F208-L252 HydrophobicContact CZ-CD1 3.74Å; F208-V258 HydrophobicContact CD1-CG1 4.05Å; F208-V258 HydrophobicContact CD2-CG1 4.41Å; F208-V258 HydrophobicContact CE1-CB 3.99Å; F208-V258 HydrophobicContact CE1-CG1 3.84Å; F208-V258 HydrophobicContact CE1-CG2 4.42Å; F208-V258 HydrophobicContact CE2-CB 4.47Å; F208-V258 HydrophobicContact CE2-CG1 4.24Å; F208-V258 HydrophobicContact CE2-CG2 4.1Å; F208-V258 HydrophobicContact CG-CG1 4.32Å; F208-V258 HydrophobicContact CZ-CB 3.9Å; F208-V258 HydrophobicContact CZ-CG1 3.97Å; F208-V258 HydrophobicContact CZ-CG2 3.81Å; F208-F281 HydrophobicContact CB-CE2 4.37Å; F208-F281 AromaticContact CD1-CE2 3.89Å; F208-F281 HydrophobicContact CD1-CE2 3.89Å; F208-F281 AromaticContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CE1-CZ 4.39Å; F208-T282 WeakPolarHBondContact CA-O 3.45Å
209T98.6Very high96.1Very high27 Ų2731.9 Ų31.917%0.16616%0.161CC..EExtended strand (participates in β ladder)trans-144.2151.1175.7-167.60000110.6Y207 G246 F281 T282Y207-T209 HydrophobicContact CE1-CG2 3.9Å; T209-G246 CarbonylContact C-O 3.52Å; T209-G246 WeakPolarHBondContact CA-O 3.13Å; T209-F281 WeakPolarHBondContact O-CD2 3.49Å; T209-T282 HydrophobicContact CG2-CG2 4.34Å; T209-T282 PolarHBondContact N-O 3.45Å; T209-T282 PolarHBondContact O-N 3.45Å
210Y98.5Very high96Very high1 Ų130.1 Ų30.10%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-144.8148.1172.751.5-90.7000110.3I212 I221 L223 I231 T233 S245 G246 L260 T280Y210-I212 HydrophobicContact CD2-CG1 3.86Å; Y210-I221 HydrophobicContact CE2-CG2 4.04Å; Y210-L223 HydrophobicContact CD1-CD1 4.4Å; Y210-L223 HydrophobicContact CE1-CB 4.18Å; Y210-L223 HydrophobicContact CE1-CD1 4.36Å; Y210-I231 HydrophobicContact CE1-CD1 4.26Å; Y210-I231 VanDerWaalsContact OH-CG2 3.26Å; Y210-I231 WeakPolarHBondContact OH-CG2 3.26Å; Y210-T233 PolarHBondContact OH-OG1 3.34Å; Y210-S245 WeakPolarHBondContact O-CA 3.49Å; Y210-S245 WeakPolarHBondContact O-CB 3.41Å; Y210-G246 VanDerWaalsContact CD1-O 3.26Å; Y210-G246 WeakPolarHBondContact CD1-O 3.46Å; Y210-G246 WeakPolarHBondContact CE1-O 3.49Å; Y210-G246 PolarHBondContact N-O 3.03Å; Y210-G246 PolarHBondContact O-N 3.42Å; Y210-G246 VanDerWaalsContact O-N 3.09Å; Y210-L260 HydrophobicContact CD1-CD1 4.05Å; Y210-L260 HydrophobicContact CD1-CD2 3.58Å; Y210-L260 HydrophobicContact CD1-CG 4.38Å; Y210-L260 HydrophobicContact CE1-CD2 3.69Å; Y210-L260 HydrophobicContact CG-CD1 3.86Å; Y210-L260 HydrophobicContact CG-CD2 4.03Å; Y210-T280 VanDerWaalsContact CA-O 3.24Å; Y210-T280 WeakPolarHBondContact CA-O 3.26Å; Y210-T280 VanDerWaalsContact CB-O 3.25Å; Y210-T280 WeakPolarHBondContact CB-O 3.39Å
211D97.8Very high96Very high66 Ų6630.1 Ų30.135%0.35315%0.15SC..EExtended strand (participates in β ladder)trans-128.7114.1176.8-58.9-70.3000107S245 S279 T280D211-S245 VanDerWaalsContact OD1-CB 3.28Å; D211-S245 WeakPolarHBondContact OD1-CB 3.49Å; D211-S245 PolarHBondContact OD1-OG 3.23Å; D211-S279 CarbonylContact O-C 3.54Å; D211-S279 VanDerWaalsContact O-CA 3.23Å; D211-S279 WeakPolarHBondContact O-CA 3.23Å; D211-T280 PolarHBondContact N-O 2.93Å; D211-T280 VanDerWaalsContact N-O 3.11Å; D211-T280 PolarHBondContact O-N 3.2Å
212I97.3Very high96.1Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-118.8116.9-170.8-54.1-61.7000109.1F180 Y210 L219 I221 V243 A244 L270F180-I212 HydrophobicContact CE1-CD1 4.39Å; F180-I212 HydrophobicContact CZ-CD1 4.34Å; Y210-I212 HydrophobicContact CD2-CG1 3.86Å; I212-L219 HydrophobicContact CB-CD2 3.95Å; I212-L219 HydrophobicContact CG2-CD1 4.22Å; I212-L219 HydrophobicContact CG2-CD2 3.63Å; I212-I221 HydrophobicContact CD1-CD1 4.03Å; I212-I221 HydrophobicContact CG1-CD1 3.92Å; I212-V243 WeakPolarHBondContact O-CA 3.36Å; I212-A244 PolarHBondContact N-O 3.42Å; I212-A244 PolarHBondContact O-N 3.05Å; I212-L270 HydrophobicContact CD1-CD1 4.2Å; I212-L270 HydrophobicContact CG2-CB 4.21Å; I212-L270 HydrophobicContact CG2-CD1 3.84Å; I212-L270 HydrophobicContact CG2-CG 3.74Å
213T95.8Very high96.3Very high13 Ų1325.6 Ų25.68%0.0813%0.128CC..EExtended strand (participates in β ladder)trans-76131.7167.6-55.80000108.8D242 F271 T277 D278 S279T213-D242 WeakPolarHBondContact CA-O 3.36Å; T213-F271 HydrophobicContact CG2-CD1 4.49Å; T213-F271 PolarHBondContact O-N 3.44Å; T213-T277 HydrophobicContact CG2-CG2 3.91Å; T213-D278 PolarHBondContact OG1-O 3.42Å; T213-S279 PolarHBondContact N-OG 3.33Å
214L94Very high96.4Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-121.3145.7174.863.6137.3000113.3L219 D235 N237 H241 D242 A244 G269L214-L219 HydrophobicContact CB-CB 4.13Å; L214-L219 HydrophobicContact CB-CD2 4.44Å; L214-L219 HydrophobicContact CD1-CB 3.98Å; L214-L219 HydrophobicContact CD2-CB 4.27Å; L214-L219 HydrophobicContact CD2-CD2 4.02Å; L214-L219 HydrophobicContact CG-CB 4.37Å; L214-D235 HydrophobicContact CD1-CB 4.04Å; L214-D235 HydrophobicContact CD2-CB 3.83Å; L214-N237 HydrophobicContact CD1-CB 3.95Å; L214-H241 WeakPolarHBondContact O-CA 3.5Å; L214-D242 HydrophobicContact CD1-CB 4.46Å; L214-D242 HydrophobicContact CD2-CB 4.1Å; L214-D242 HydrophobicContact CG-CB 4.1Å; L214-D242 PolarHBondContact N-O 2.84Å; L214-D242 PolarHBondContact O-N 3.05Å; L214-D242 VanDerWaalsContact O-N 3.16Å; L214-A244 HydrophobicContact CD2-CB 3.84Å; L214-G269 CarbonylContact C-O 3.43Å; L214-G269 WeakPolarHBondContact CA-O 3.5Å; L214-G269 WeakPolarHBondContact CB-O 3.4Å
215A93.2Very high96.6Very high0 Ų026 Ų260%013%0.129CC..  trans-147.8149.9-179.100000111.3K217 N237 H241 G269 F271A215-K217 PolarHBondContact O-N 2.72Å; A215-N237 WeakPolarHBondContact CA-ND2 3.23Å; A215-H241 VanDerWaalsContact CB-ND1 3.32Å; A215-H241 WeakPolarHBondContact CB-ND1 3.32Å; A215-G269 PolarHBondContact N-O 3.28Å; A215-F271 HydrophobicContact CB-CB 3.63Å; A215-F271 HydrophobicContact CB-CD1 4.02Å; A215-F271 HydrophobicContact CB-CD2 3.74Å; A215-F271 HydrophobicContact CB-CE2 4.42Å; A215-F271 HydrophobicContact CB-CG 3.51Å
216N91.4Very high96.6Very high126 Ų12628.1 Ų28.167%0.67414%0.139SC*.SBendtrans61.5-28.5175-51.2-65.1000117.6Y171 N237Y171-N216 PolarHBondContact OH-ND2 2.94Å; N216-N237 PolarHBondContact N-ND2 2.82Å
217K92.5Very high96.4Very high89 Ų8930.5 Ų30.539%0.38716%0.163SC..SBendtrans-131.1158.9177.8-58.5-178178.8-175.30110.3A215 N237 G269A215-K217 PolarHBondContact O-N 2.72Å; K217-N237 WeakPolarHBondContact O-CB 3.47Å; K217-G269 WeakPolarHBondContact O-CA 3.28Å
218H94.5Very high96.3Very high89 Ų8933.4 Ų33.441%0.41218%0.18SC..  trans-64.3157.8168.2-50.6-46.2000110.7D235 N237 Q267 N268 G269H218-D235 CarbonylContact C-O 3.54Å; H218-D235 WeakPolarHBondContact CA-O 3.23Å; H218-D235 WeakPolarHBondContact CB-O 3.49Å; H218-N237 PolarHBondContact CE1-O 2.85Å; H218-N237 PolarHBondContact ND1-N 2.8Å; H218-N237 VanDerWaalsContact ND1-N 3.15Å; H218-N237 PolarHBondContact ND1-O 2.85Å; H218-Q267 HydrophobicContact CB-CB 4.38Å; H218-Q267 HydrophobicContact CB-CG 4.18Å; H218-Q267 CarbonylContact O-C 3.46Å; H218-Q267 WeakPolarHBondContact O-CA 3.28Å; H218-N268 PolarHBondContact O-N 3.04Å; H218-G269 WeakPolarHBondContact O-CA 3.39Å; H218-G269 PolarHBondContact O-N 2.83Å
219L95.9Very high96.2Very high0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-113.8129.3179.3-177.871.8000110.5I212 L214 I221 F234 D235 A244 I262 Q267 L270I212-L219 HydrophobicContact CB-CD2 3.95Å; I212-L219 HydrophobicContact CG2-CD1 4.22Å; I212-L219 HydrophobicContact CG2-CD2 3.63Å; L214-L219 HydrophobicContact CB-CB 4.13Å; L214-L219 HydrophobicContact CB-CD2 4.44Å; L214-L219 HydrophobicContact CD1-CB 3.98Å; L214-L219 HydrophobicContact CD2-CB 4.27Å; L214-L219 HydrophobicContact CD2-CD2 4.02Å; L214-L219 HydrophobicContact CG-CB 4.37Å; L219-I221 HydrophobicContact CD1-CB 4.26Å; L219-I221 HydrophobicContact CD2-CG2 3.97Å; L219-I221 HydrophobicContact CG-CB 4.28Å; L219-I221 HydrophobicContact CG-CG2 4.15Å; L219-F234 VanDerWaalsContact O-CA 3.32Å; L219-F234 WeakPolarHBondContact O-CA 3.02Å; L219-D235 HydrophobicContact CB-CB 4.26Å; L219-D235 PolarHBondContact N-O 3.11Å; L219-D235 PolarHBondContact O-N 2.92Å; L219-A244 HydrophobicContact CD2-CB 3.7Å; L219-I262 HydrophobicContact CD1-CD1 3.82Å; L219-Q267 CarbonylContact C-O 3.5Å; L219-Q267 WeakPolarHBondContact CA-O 3.47Å; L219-L270 HydrophobicContact CD1-CB 4.16Å
220A96.3Very high96.2Very high0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-129.193166.400000109.8T233 F234 I262 F263 Y264 Q267A220-T233 WeakPolarHBondContact CA-O 3.28Å; A220-F234 HydrophobicContact CB-CD1 4.05Å; A220-F234 HydrophobicContact CB-CE1 4.16Å; A220-I262 WeakPolarHBondContact O-CA 3.32Å; A220-F263 VanDerWaalsContact C-CE1 3.42Å; A220-F263 HydrophobicContact CB-CD1 4.39Å; A220-F263 HydrophobicContact CB-CD2 4.4Å; A220-F263 HydrophobicContact CB-CE1 3.9Å; A220-F263 HydrophobicContact CB-CE2 3.92Å; A220-F263 HydrophobicContact CB-CZ 3.64Å; A220-F263 WeakPolarHBondContact O-CD1 3.49Å; A220-F263 WeakPolarHBondContact O-CE1 3.42Å; A220-F263 PolarHBondContact O-N 3.43Å; A220-Y264 HydrophobicContact CB-CD2 3.9Å; A220-Q267 HydrophobicContact CB-CB 3.63Å; A220-Q267 HydrophobicContact CB-CG 4.46Å; A220-Q267 PolarHBondContact N-O 2.98Å
221I97.2Very high96Very high0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-114.7141.6-177.6-166.2172.7000110.6I178 Y210 I212 L219 T233 L260 I262 L270I178-I221 HydrophobicContact CD1-CD1 3.7Å; I178-I221 HydrophobicContact CD1-CG1 4.12Å; Y210-I221 HydrophobicContact CE2-CG2 4.04Å; I212-I221 HydrophobicContact CD1-CD1 4.03Å; I212-I221 HydrophobicContact CG1-CD1 3.92Å; L219-I221 HydrophobicContact CD1-CB 4.26Å; L219-I221 HydrophobicContact CD2-CG2 3.97Å; L219-I221 HydrophobicContact CG-CB 4.28Å; L219-I221 HydrophobicContact CG-CG2 4.15Å; I221-T233 PolarHBondContact N-O 2.86Å; I221-T233 PolarHBondContact O-N 3.49Å; I221-L260 HydrophobicContact CD1-CB 4.09Å; I221-L260 HydrophobicContact CD1-CD1 4.16Å; I221-L260 HydrophobicContact CD1-CD2 4.25Å; I221-L260 HydrophobicContact CD1-CG 4.42Å; I221-L260 HydrophobicContact CG1-CB 4.34Å; I221-L260 HydrophobicContact CG1-CD2 4.26Å; I221-I262 HydrophobicContact CB-CD1 3.96Å; I221-I262 HydrophobicContact CD1-CD1 4.37Å; I221-I262 HydrophobicContact CG1-CD1 4.04Å; I221-L270 HydrophobicContact CD1-CD1 4.45Å
222G97.2Very high96Very high0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-128.8138.2178.800000112.8I231 L260 Q261G222-I231 CarbonylContact C-O 3.59Å; G222-I231 WeakPolarHBondContact CA-O 3.45Å; G222-L260 WeakPolarHBondContact O-CA 3.36Å; G222-Q261 PolarHBondContact N-O 3.38Å; G222-Q261 PolarHBondContact O-N 3.01Å
223L98.4Very high95.9Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-80.5122.2164.6-170.692.5000108.3F208 Y210 Y229 K230 I231 T248 L250 V258 L260 F281F208-L223 HydrophobicContact CB-CD1 4.17Å; F208-L223 HydrophobicContact CB-CD2 4.28Å; Y210-L223 HydrophobicContact CD1-CD1 4.4Å; Y210-L223 HydrophobicContact CE1-CB 4.18Å; Y210-L223 HydrophobicContact CE1-CD1 4.36Å; L223-Y229 WeakPolarHBondContact O-CA 3.2Å; L223-K230 HydrophobicContact CD2-CB 4.36Å; L223-K230 PolarHBondContact O-N 2.88Å; L223-I231 HydrophobicContact CB-CB 4.03Å; L223-I231 HydrophobicContact CB-CD1 4.36Å; L223-I231 HydrophobicContact CB-CG1 4.22Å; L223-I231 HydrophobicContact CD2-CD1 4.24Å; L223-I231 HydrophobicContact CD2-CG1 4.34Å; L223-I231 PolarHBondContact N-O 2.92Å; L223-I231 PolarHBondContact O-N 3Å; L223-T248 HydrophobicContact CD2-CG2 3.56Å; L223-L250 HydrophobicContact CD2-CD1 4.03Å; L223-V258 HydrophobicContact CD1-CG1 3.95Å; L223-V258 HydrophobicContact CD2-CG1 4.36Å; L223-V258 HydrophobicContact CG-CG1 4.08Å; L223-L260 HydrophobicContact CB-CD2 4.05Å; L223-L260 HydrophobicContact CD1-CD2 3.89Å; L223-L260 HydrophobicContact CD1-CG 4.4Å; L223-F281 HydrophobicContact CD1-CE2 3.63Å; L223-F281 HydrophobicContact CD1-CZ 3.89Å
224V98.3Very high95.9Very high1 Ų149.8 Ų49.81%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-115.2132.1-175.6-175.80000109.6G227 Q228 Y229 V258 W259 Q261V224-G227 VanDerWaalsContact CG1-C 3.48Å; V224-G227 VanDerWaalsContact CG1-CA 3.48Å; V224-Q228 CarbonylContact C-O 3.6Å; V224-Q228 WeakPolarHBondContact CA-O 3.36Å; V224-Y229 HydrophobicContact CG2-CD1 3.6Å; V224-Y229 HydrophobicContact CG2-CE1 3.6Å; V224-Y229 HydrophobicContact CG2-CG 4.38Å; V224-V258 VanDerWaalsContact O-CA 3.26Å; V224-V258 WeakPolarHBondContact O-CA 3.13Å; V224-W259 HydrophobicContact CB-CD2 3.97Å; V224-W259 HydrophobicContact CB-CE3 4.43Å; V224-W259 HydrophobicContact CB-CG 4.43Å; V224-W259 HydrophobicContact CB-CH2 4.39Å; V224-W259 HydrophobicContact CB-CZ2 3.9Å; V224-W259 HydrophobicContact CG1-CD2 4.22Å; V224-W259 HydrophobicContact CG1-CE3 4.41Å; V224-W259 HydrophobicContact CG1-CH2 3.59Å; V224-W259 HydrophobicContact CG1-CZ2 3.3Å; V224-W259 HydrophobicContact CG1-CZ3 4.12Å; V224-W259 PolarHBondContact N-O 2.94Å; V224-W259 PolarHBondContact O-N 2.96Å; V224-Q261 HydrophobicContact CG2-CG 3.7Å
225H98.3Very high95.9Very high24 Ų2451.4 Ų51.411%0.11126%0.255CS..EExtended strand (participates in β ladder)trans-120.1119171.6165.8-142.4000108.4G227 Q228 K230 L250 D256 Q257 V258H225-G227 PolarHBondContact O-N 2.81Å; H225-G227 VanDerWaalsContact O-N 3.09Å; H225-Q228 PolarHBondContact N-O 2.88Å; H225-Q228 PolarHBondContact O-N 2.88Å; H225-K230 HydrophobicContact CB-CD 4.34Å; H225-K230 HydrophobicContact CB-CG 3.71Å; H225-K230 WeakPolarHBondContact ND1-CE 3.37Å; H225-L250 HydrophobicContact CB-CD1 4.19Å; H225-D256 IonicContact CE1-OD2 3.94Å; H225-D256 IonicContact NE2-OD2 3.69Å; H225-D256 PolarHBondContact NE2-OD2 2.92Å; H225-Q257 WeakPolarHBondContact CA-O 3.5Å; H225-V258 HydrophobicContact CB-CG2 4.39Å
226N97.3Very high95.9Very high85 Ų8554.4 Ų54.446%0.45528%0.279SS..THydrogen-bonded Turntrans47.339.5-178.5-67.5-11.1000114Q228 D256 Q257N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.92Å; N226-D256 PolarHBondContact ND2-OD1 2.77Å; N226-Q257 PolarHBondContact N-O 3.09Å; N226-Q257 PolarHBondContact OD1-N 3.25Å; N226-Q257 PolarHBondContact OD1-O 2.93Å
227G95.3Very high95.7Very high50 Ų5049.2 Ų49.252%0.51525%0.251SS..THydrogen-bonded Turntrans86.7-4.7178.300000115.2V224 H225 W259V224-G227 VanDerWaalsContact CG1-C 3.48Å; V224-G227 VanDerWaalsContact CG1-CA 3.48Å; H225-G227 PolarHBondContact O-N 2.81Å; H225-G227 VanDerWaalsContact O-N 3.09Å; G227-W259 VanDerWaalsContact N-CH2 3.27Å
228Q96.8Very high95.2Very high130 Ų13051.2 Ų51.261%0.60727%0.271SS*.EExtended strand (participates in β ladder)trans-102.7133.6175.5-63.7-173-12.300111.7V224 H225 N226 K230V224-Q228 CarbonylContact C-O 3.6Å; V224-Q228 WeakPolarHBondContact CA-O 3.36Å; H225-Q228 PolarHBondContact N-O 2.88Å; H225-Q228 PolarHBondContact O-N 2.88Å; N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.92Å; Q228-K230 PolarHBondContact O-N 2.82Å
229Y96.6Very high94.2Very high83 Ų8350 Ų5033%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-68.7124.8173.2-64.7-80.4000110.6L223 V224 K232 Q261 F263L223-Y229 WeakPolarHBondContact O-CA 3.2Å; V224-Y229 HydrophobicContact CG2-CD1 3.6Å; V224-Y229 HydrophobicContact CG2-CE1 3.6Å; V224-Y229 HydrophobicContact CG2-CG 4.38Å; Y229-K232 HydrophobicContact CD1-CG 4.3Å; Y229-K232 HydrophobicContact CG-CG 4.27Å; Y229-Q261 HydrophobicContact CE1-CG 4.12Å; Y229-Q261 PolarHBondContact OH-NE2 3.16Å; Y229-F263 HydrophobicContact CE1-CB 4.02Å; Y229-F263 HydrophobicContact CE1-CD1 4.08Å; Y229-F263 HydrophobicContact CE1-CG 4.29Å; Y229-F263 WeakPolarHBondContact OH-CB 3.45Å
230K96.9Very high93.6Very high90 Ų9055.9 Ų55.939%0.39132%0.315SS..EExtended strand (participates in β ladder)trans-99.9-35.2173.2-59.5-58.1-175.2-177.40111.9L223 H225 Q228 L250L223-K230 HydrophobicContact CD2-CB 4.36Å; L223-K230 PolarHBondContact O-N 2.88Å; H225-K230 HydrophobicContact CB-CD 4.34Å; H225-K230 HydrophobicContact CB-CG 3.71Å; H225-K230 WeakPolarHBondContact ND1-CE 3.37Å; Q228-K230 PolarHBondContact O-N 2.82Å; K230-L250 HydrophobicContact CB-CD2 4.24Å; K230-L250 HydrophobicContact CD-CD2 4.38Å; K230-L250 HydrophobicContact CG-CD1 4.34Å; K230-L250 HydrophobicContact CG-CD2 3.99Å
231I95.9Very high93.3Very high30 Ų3060.6 Ų60.615%0.15434%0.336CS..EExtended strand (participates in β ladder)trans-129.3140.7170.6-49.8177.1000107.9Y210 G222 L223 S247 T248Y210-I231 HydrophobicContact CE1-CD1 4.26Å; Y210-I231 VanDerWaalsContact OH-CG2 3.26Å; Y210-I231 WeakPolarHBondContact OH-CG2 3.26Å; G222-I231 CarbonylContact C-O 3.59Å; G222-I231 WeakPolarHBondContact CA-O 3.45Å; L223-I231 HydrophobicContact CB-CB 4.03Å; L223-I231 HydrophobicContact CB-CD1 4.36Å; L223-I231 HydrophobicContact CB-CG1 4.22Å; L223-I231 HydrophobicContact CD2-CD1 4.24Å; L223-I231 HydrophobicContact CD2-CG1 4.34Å; L223-I231 PolarHBondContact N-O 2.92Å; L223-I231 PolarHBondContact O-N 3Å; I231-S247 VanDerWaalsContact CD1-C 3.47Å; I231-S247 WeakPolarHBondContact CD1-O 3.38Å; I231-T248 HydrophobicContact CD1-CG2 3.63Å; I231-T248 HydrophobicContact CG1-CG2 3.93Å
232K96.1Very high93.1Very high112 Ų11264 Ų6449%0.48735%0.354SS..EExtended strand (participates in β ladder)trans-124119.6164.2-64.5-178.2-178.61790107.7Y229 F234 F263Y229-K232 HydrophobicContact CD1-CG 4.3Å; Y229-K232 HydrophobicContact CG-CG 4.27Å; K232-F234 HydrophobicContact CB-CE2 3.76Å; K232-F234 HydrophobicContact CB-CZ 4.26Å; K232-F263 HydrophobicContact CB-CE1 4.21Å; K232-F263 HydrophobicContact CB-CZ 4.1Å; K232-F263 HydrophobicContact CD-CZ 4.23Å; K232-F263 HydrophobicContact CG-CE1 4.25Å; K232-F263 HydrophobicContact CG-CZ 4.26Å
233T96.6Very high92.9Very high21 Ų2167.9 Ų67.913%0.12938%0.378CS..EExtended strand (participates in β ladder)trans-111.7129.2-179.3-60.90000108.4Y210 A220 I221 A244Y210-T233 PolarHBondContact OH-OG1 3.34Å; A220-T233 WeakPolarHBondContact CA-O 3.28Å; I221-T233 PolarHBondContact N-O 2.86Å; I221-T233 PolarHBondContact O-N 3.49Å; T233-A244 HydrophobicContact CG2-CB 4.08Å
234F95.1Very high92.8Very high115 Ų11568.1 Ų68.150%0.50438%0.38SS..EExtended strand (participates in β ladder)trans-121.4131-179.2-61.1-90.7000108.4L219 A220 K232 F263 Y264L219-F234 VanDerWaalsContact O-CA 3.32Å; L219-F234 WeakPolarHBondContact O-CA 3.02Å; A220-F234 HydrophobicContact CB-CD1 4.05Å; A220-F234 HydrophobicContact CB-CE1 4.16Å; K232-F234 HydrophobicContact CB-CE2 3.76Å; K232-F234 HydrophobicContact CB-CZ 4.26Å; F234-F263 HydrophobicContact CD1-CZ 4.16Å; F234-F263 AromaticContact CE1-CE2 3.57Å; F234-F263 HydrophobicContact CE1-CE2 3.57Å; F234-F263 AromaticContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE2-CZ 4.13Å; F234-F263 AromaticContact CZ-CE2 3.67Å; F234-F263 HydrophobicContact CZ-CE2 3.67Å; F234-F263 AromaticContact CZ-CZ 3.35Å; F234-F263 HydrophobicContact CZ-CZ 3.35Å; F234-Y264 HydrophobicContact CE1-CD2 4.29Å; F234-Y264 HydrophobicContact CE1-CE2 4.03Å
235D95Very high92.7Very high35 Ų3570.9 Ų70.919%0.18740%0.4CS..EExtended strand (participates in β ladder)trans-137.6130.7175.7-159.4-38000110.3L214 H218 L219 A244L214-D235 HydrophobicContact CD1-CB 4.04Å; L214-D235 HydrophobicContact CD2-CB 3.83Å; H218-D235 CarbonylContact C-O 3.54Å; H218-D235 WeakPolarHBondContact CA-O 3.23Å; H218-D235 WeakPolarHBondContact CB-O 3.49Å; L219-D235 HydrophobicContact CB-CB 4.26Å; L219-D235 PolarHBondContact N-O 3.11Å; L219-D235 PolarHBondContact O-N 2.92Å; D235-A244 HydrophobicContact CB-CB 3.83Å; D235-A244 WeakPolarHBondContact OD2-CB 3.47Å
236A92.5Very high92.7Very high62 Ų6270.4 Ų70.451%0.51240%0.401SS..  trans-98.3101.5-176.800000110T238A236-T238 PolarHBondContact O-N 3.15Å
237N87.4Confident92.7Very high17 Ų1769.2 Ų69.29%0.09140%0.399CS..  trans-61.7125.3170.9-163-30.2000112.3L214 A215 N216 K217 H218 G239 N240L214-N237 HydrophobicContact CD1-CB 3.95Å; A215-N237 WeakPolarHBondContact CA-ND2 3.23Å; N216-N237 PolarHBondContact N-ND2 2.82Å; K217-N237 WeakPolarHBondContact O-CB 3.47Å; H218-N237 PolarHBondContact CE1-O 2.85Å; H218-N237 PolarHBondContact ND1-N 2.8Å; H218-N237 VanDerWaalsContact ND1-N 3.15Å; H218-N237 PolarHBondContact ND1-O 2.85Å; N237-G239 PolarHBondContact OD1-N 2.83Å; N237-N240 PolarHBondContact ND2-O 2.82Å; N237-N240 PolarHBondContact OD1-N 2.75Å; N237-N240 PolarHBondContact OD1-O 3.14Å
238T82.3Confident92.8Very high131 Ų13168.8 Ų68.880%0.80439%0.387SS*.  trans-1009.8178.752.40000114.5A236A236-T238 PolarHBondContact O-N 3.15Å
239G73.4Confident92.9Very high65 Ų6566.2 Ų66.267%0.6738%0.38SS*.SBendtrans116.1-2.5177.300000114.9N237N237-G239 PolarHBondContact OD1-N 2.83Å
240N83.8Confident93Very high123 Ų12363.1 Ų63.166%0.65837%0.369SS*.SBendtrans-116.1-161.2177.6-74.4-18000110.8N237N237-N240 PolarHBondContact ND2-O 2.82Å; N237-N240 PolarHBondContact OD1-N 2.75Å; N237-N240 PolarHBondContact OD1-O 3.14Å
241H88.6Confident93Very high98 Ų9863.9 Ų63.945%0.45438%0.377SS..  trans-95.5137.1167.9-56-50.7000109.3L214 A215 W276L214-H241 WeakPolarHBondContact O-CA 3.5Å; A215-H241 VanDerWaalsContact CB-ND1 3.32Å; A215-H241 WeakPolarHBondContact CB-ND1 3.32Å; H241-W276 HydrophobicContact CB-CH2 4.05Å; H241-W276 AromaticContact CD2-CH2 3.02Å; H241-W276 WeakPolarHBondContact CD2-CH2 3.32Å; H241-W276 AromaticContact CD2-CZ2 3.59Å; H241-W276 AromaticContact CD2-CZ3 3.92Å; H241-W276 AromaticContact CG-CH2 3.46Å; H241-W276 VanDerWaalsContact CG-CH2 3.46Å; H241-W276 AromaticContact NE2-CH2 3.41Å; H241-W276 WeakPolarHBondContact NE2-CH2 3.45Å; H241-W276 AromaticContact NE2-CZ2 3.44Å; H241-W276 WeakPolarHBondContact NE2-CZ2 3.44Å
242D92.5Very high93.1Very high71 Ų7162.4 Ų62.438%0.3837%0.37SS..EExtended strand (participates in β ladder)trans-132.5165.7174.8-149.3-14.8000110.1T213 L214T213-D242 WeakPolarHBondContact CA-O 3.36Å; L214-D242 HydrophobicContact CD1-CB 4.46Å; L214-D242 HydrophobicContact CD2-CB 4.1Å; L214-D242 HydrophobicContact CG-CB 4.1Å; L214-D242 PolarHBondContact N-O 2.84Å; L214-D242 PolarHBondContact O-N 3.05Å; L214-D242 VanDerWaalsContact O-N 3.16Å
243V93.9Very high93.1Very high82 Ų8264.5 Ų64.550%0.49738%0.379SS..EExtended strand (participates in β ladder)trans-125.7117.5179.6-1790000109.9I212I212-V243 WeakPolarHBondContact O-CA 3.36Å
244A95.6Very high93Very high5 Ų568.8 Ų68.84%0.04140%0.397CS..EExtended strand (participates in β ladder)trans-104.5126.3174.700000110.2I212 L214 L219 T233 D235I212-A244 PolarHBondContact N-O 3.42Å; I212-A244 PolarHBondContact O-N 3.05Å; L214-A244 HydrophobicContact CD2-CB 3.84Å; L219-A244 HydrophobicContact CD2-CB 3.7Å; T233-A244 HydrophobicContact CG2-CB 4.08Å; D235-A244 HydrophobicContact CB-CB 3.83Å; D235-A244 WeakPolarHBondContact OD2-CB 3.47Å
245S97.2Very high93.1Very high60 Ų6067 Ų6742%0.4240%0.399SS..EExtended strand (participates in β ladder)trans-121.5153.5177-55.50000111.7Y210 D211Y210-S245 WeakPolarHBondContact O-CA 3.49Å; Y210-S245 WeakPolarHBondContact O-CB 3.41Å; D211-S245 VanDerWaalsContact OD1-CB 3.28Å; D211-S245 WeakPolarHBondContact OD1-CB 3.49Å; D211-S245 PolarHBondContact OD1-OG 3.23Å
246G97.3Very high93.2Very high13 Ų1366.5 Ų66.513%0.13440%0.396CS..EExtended strand (participates in β ladder)trans-154.7144.4173.300000111.3T209 Y210T209-G246 CarbonylContact C-O 3.52Å; T209-G246 WeakPolarHBondContact CA-O 3.13Å; Y210-G246 VanDerWaalsContact CD1-O 3.26Å; Y210-G246 WeakPolarHBondContact CD1-O 3.46Å; Y210-G246 WeakPolarHBondContact CE1-O 3.49Å; Y210-G246 PolarHBondContact N-O 3.03Å; Y210-G246 PolarHBondContact O-N 3.42Å; Y210-G246 VanDerWaalsContact O-N 3.09Å
247S98.1Very high93.5Very high60 Ų6066.7 Ų66.742%0.4239%0.386SS..EExtended strand (participates in β ladder)trans-144.3154.7178.667.40000112.7Y207 F208 I231Y207-S247 WeakPolarHBondContact OH-CB 3.36Å; Y207-S247 PolarHBondContact OH-OG 2.83Å; Y207-S247 VanDerWaalsContact OH-OG 3.14Å; F208-S247 CarbonylContact O-C 3.6Å; F208-S247 WeakPolarHBondContact O-CA 3.44Å; F208-S247 VanDerWaalsContact O-CB 3.27Å; F208-S247 WeakPolarHBondContact O-CB 3.25Å; I231-S247 VanDerWaalsContact CD1-C 3.47Å; I231-S247 WeakPolarHBondContact CD1-O 3.38Å
248T98.3Very high94.1Very high42 Ų4265.9 Ų65.926%0.25838%0.382SS..EExtended strand (participates in β ladder)trans-159.7165.8174-166.30000111.1F208 L223 I231 L250F208-T248 PolarHBondContact N-O 2.99Å; F208-T248 PolarHBondContact O-N 2.97Å; L223-T248 HydrophobicContact CD2-CG2 3.56Å; I231-T248 HydrophobicContact CD1-CG2 3.63Å; I231-T248 HydrophobicContact CG1-CG2 3.93Å; T248-L250 HydrophobicContact CG2-CD1 4.47Å; T248-L250 HydrophobicContact CG2-CD2 4.02Å; T248-L250 HydrophobicContact CG2-CG 3.97Å
249V98.3Very high94.8Very high75 Ų7560.6 Ų60.646%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-106.4130.6171.7177.20000108.7V205 Y206 Y207 I286V205-V249 HydrophobicContact CG1-CG1 3.29Å; Y206-V249 CarbonylContact O-C 3.58Å; Y206-V249 VanDerWaalsContact O-CA 3.25Å; Y206-V249 WeakPolarHBondContact O-CA 3.42Å; Y207-V249 HydrophobicContact CD2-CG2 3.95Å; V249-I286 HydrophobicContact CG1-CD1 4.41Å; V249-I286 HydrophobicContact CG2-CD1 4.32Å
250L97.8Very high96Very high18 Ų1857.5 Ų57.59%0.09432%0.316CS..EExtended strand (participates in β ladder)trans-125.1136.6176.8-60.1179000110.1Y206 F208 L223 H225 K230 T248 L252 V258Y206-L250 PolarHBondContact N-O 2.81Å; Y206-L250 PolarHBondContact O-N 2.91Å; F208-L250 HydrophobicContact CD2-CB 4.45Å; F208-L250 HydrophobicContact CD2-CD1 3.98Å; F208-L250 HydrophobicContact CD2-CG 4.25Å; F208-L250 HydrophobicContact CE2-CB 4.3Å; F208-L250 HydrophobicContact CE2-CD1 4.07Å; F208-L250 HydrophobicContact CE2-CG 4.48Å; L223-L250 HydrophobicContact CD2-CD1 4.03Å; H225-L250 HydrophobicContact CB-CD1 4.19Å; K230-L250 HydrophobicContact CB-CD2 4.24Å; K230-L250 HydrophobicContact CD-CD2 4.38Å; K230-L250 HydrophobicContact CG-CD1 4.34Å; K230-L250 HydrophobicContact CG-CD2 3.99Å; T248-L250 HydrophobicContact CG2-CD1 4.47Å; T248-L250 HydrophobicContact CG2-CD2 4.02Å; T248-L250 HydrophobicContact CG2-CG 3.97Å; L250-L252 HydrophobicContact CB-CD2 3.87Å; L250-L252 HydrophobicContact CB-CG 4.3Å; L250-L252 HydrophobicContact CD1-CD2 4.35Å; L250-V258 HydrophobicContact CD1-CG1 4.44Å; L250-V258 HydrophobicContact CD1-CG2 4.26Å
251N97.2Very high96.6Very high106 Ų10652.7 Ų52.757%0.56729%0.289SS*.EExtended strand (participates in β ladder)trans-85.8122162.8-171.81.2000108.6G204G204-N251 WeakPolarHBondContact O-CA 3.4Å; G204-N251 PolarHBondContact O-OD1 3.35Å; G204-N251 VanDerWaalsContact O-OD1 3.12Å
252L97.9Very high97Very high0 Ų048 Ų480%027%0.268CS..EExtended strand (participates in β ladder)trans-116.2139.2-175.1-60.1-173.5000111F198 C200 P203 G204 Y206 F208 L250 D256 V258F198-L252 HydrophobicContact CD1-CD1 4.32Å; F198-L252 HydrophobicContact CE1-CD1 3.83Å; C200-L252 HydrophobicContact CB-CB 4.09Å; C200-L252 HydrophobicContact CB-CD1 4.14Å; P203-L252 VanDerWaalsContact CA-O 3.31Å; P203-L252 WeakPolarHBondContact CA-O 3.13Å; G204-L252 PolarHBondContact N-O 2.89Å; G204-L252 PolarHBondContact O-N 2.96Å; Y206-L252 HydrophobicContact CD2-CB 3.92Å; Y206-L252 HydrophobicContact CD2-CD1 3.68Å; Y206-L252 HydrophobicContact CD2-CG 3.83Å; Y206-L252 HydrophobicContact CE2-CB 4.12Å; Y206-L252 HydrophobicContact CE2-CD1 4.16Å; Y206-L252 HydrophobicContact CE2-CG 4.45Å; Y206-L252 HydrophobicContact CG-CD1 3.89Å; Y206-L252 HydrophobicContact CG-CG 4.37Å; F208-L252 HydrophobicContact CE2-CD1 3.84Å; F208-L252 HydrophobicContact CZ-CD1 3.74Å; L250-L252 HydrophobicContact CB-CD2 3.87Å; L250-L252 HydrophobicContact CB-CG 4.3Å; L250-L252 HydrophobicContact CD1-CD2 4.35Å; L252-D256 HydrophobicContact CB-CB 4.31Å; L252-D256 HydrophobicContact CD2-CB 4.3Å; L252-V258 HydrophobicContact CD1-CG2 3.86Å; L252-V258 HydrophobicContact CD2-CG2 3.9Å
253K96.8Very high96.9Very high156 Ų15645.4 Ų45.468%0.67825%0.253SS*.  trans-91.2165.2168.8-64-176179.5-176.20110.6C200 S255 D256C200-K253 VanDerWaalsContact CB-O 3.31Å; C200-K253 WeakPolarHBondContact CB-O 3.36Å; C200-K253 PolarHBondContact SG-O 3.15Å; K253-S255 PolarHBondContact O-N 2.85Å; K253-D256 PolarHBondContact N-OD2 3.47Å; K253-D256 VanDerWaalsContact O-CB 3.26Å; K253-D256 WeakPolarHBondContact O-CB 3.44Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-D256 VanDerWaalsContact O-N 3.12Å
254Q94.8Very high96.6Very high110 Ų11047.2 Ų47.251%0.51425%0.252SS..THydrogen-bonded Turntrans-58138.7174.3-165.3174.11900110.3P203 D256P203-Q254 HydrophobicContact CG-CB 4.03Å; Q254-D256 PolarHBondContact O-N 2.94Å
255S96.3Very high95.9Very high78 Ų7849.1 Ų49.155%0.54527%0.265SS..THydrogen-bonded Turntrans70.10.7-174.9-49.40000116.5C200 K253C200-S255 WeakPolarHBondContact O-CA 3.42Å; C200-S255 PolarHBondContact O-N 2.86Å; K253-S255 PolarHBondContact O-N 2.85Å
256D98.4Very high95.3Very high24 Ų2453.7 Ų53.713%0.12828%0.279CS..  trans-61.3142.3171.3-81.5-6.6000111V199 C200 H225 N226 L252 K253 Q254V199-D256 WeakPolarHBondContact CA-O 3.41Å; C200-D256 HydrophobicContact CB-CB 4.21Å; C200-D256 WeakPolarHBondContact CB-O 3.33Å; C200-D256 PolarHBondContact N-O 3.4Å; H225-D256 IonicContact CE1-OD2 3.94Å; H225-D256 IonicContact NE2-OD2 3.69Å; H225-D256 PolarHBondContact NE2-OD2 2.92Å; N226-D256 PolarHBondContact ND2-OD1 2.77Å; L252-D256 HydrophobicContact CB-CB 4.31Å; L252-D256 HydrophobicContact CD2-CB 4.3Å; K253-D256 PolarHBondContact N-OD2 3.47Å; K253-D256 VanDerWaalsContact O-CB 3.26Å; K253-D256 WeakPolarHBondContact O-CB 3.44Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-D256 VanDerWaalsContact O-N 3.12Å; Q254-D256 PolarHBondContact O-N 2.94Å
257Q98.4Very high95Very high66 Ų6655.9 Ų55.931%0.30829%0.286SS..EExtended strand (participates in β ladder)trans-113.7134.1-177.7-59.9-178.712.900111K197 F198 V199 H225 N226 W259K197-Q257 VanDerWaalsContact CD-OE1 3.27Å; F198-Q257 CarbonylContact O-C 3.59Å; F198-Q257 VanDerWaalsContact O-CA 3.28Å; F198-Q257 WeakPolarHBondContact O-CA 3.32Å; V199-Q257 HydrophobicContact CG2-CG 4.31Å; H225-Q257 WeakPolarHBondContact CA-O 3.5Å; N226-Q257 PolarHBondContact N-O 3.09Å; N226-Q257 PolarHBondContact OD1-N 3.25Å; N226-Q257 PolarHBondContact OD1-O 2.93Å; Q257-W259 HydrophobicContact CB-CE3 4.15Å; Q257-W259 HydrophobicContact CB-CZ3 3.93Å
258V98.7Very high94.8Very high0 Ų053 Ų530%027%0.266CS..EExtended strand (participates in β ladder)trans-127.8134.4175.5-174.20000110.2F198 F208 L223 V224 H225 L250 L252 F281F198-V258 HydrophobicContact CD1-CB 4.36Å; F198-V258 PolarHBondContact N-O 2.99Å; F198-V258 PolarHBondContact O-N 3.5Å; F208-V258 HydrophobicContact CD1-CG1 4.05Å; F208-V258 HydrophobicContact CD2-CG1 4.41Å; F208-V258 HydrophobicContact CE1-CB 3.99Å; F208-V258 HydrophobicContact CE1-CG1 3.84Å; F208-V258 HydrophobicContact CE1-CG2 4.42Å; F208-V258 HydrophobicContact CE2-CB 4.47Å; F208-V258 HydrophobicContact CE2-CG1 4.24Å; F208-V258 HydrophobicContact CE2-CG2 4.1Å; F208-V258 HydrophobicContact CG-CG1 4.32Å; F208-V258 HydrophobicContact CZ-CB 3.9Å; F208-V258 HydrophobicContact CZ-CG1 3.97Å; F208-V258 HydrophobicContact CZ-CG2 3.81Å; L223-V258 HydrophobicContact CD1-CG1 3.95Å; L223-V258 HydrophobicContact CD2-CG1 4.36Å; L223-V258 HydrophobicContact CG-CG1 4.08Å; V224-V258 VanDerWaalsContact O-CA 3.26Å; V224-V258 WeakPolarHBondContact O-CA 3.13Å; H225-V258 HydrophobicContact CB-CG2 4.39Å; L250-V258 HydrophobicContact CD1-CG1 4.44Å; L250-V258 HydrophobicContact CD1-CG2 4.26Å; L252-V258 HydrophobicContact CD1-CG2 3.86Å; L252-V258 HydrophobicContact CD2-CG2 3.9Å; V258-F281 HydrophobicContact CG1-CZ 4.37Å
259W98.6Very high94.7Very high20 Ų2051 Ų518%0.07625%0.254CS..EExtended strand (participates in β ladder)trans-154.8171.8178.168.595.6000112.4P177 G196 K197 V224 G227 Q257P177-W259 HydrophobicContact CB-CB 4.37Å; P177-W259 HydrophobicContact CB-CG 4.07Å; P177-W259 HydrophobicContact CG-CG 4.21Å; G196-W259 WeakPolarHBondContact O-CB 3.45Å; K197-W259 HydrophobicContact CB-CB 4.44Å; K197-W259 HydrophobicContact CD-CE3 4.25Å; K197-W259 HydrophobicContact CG-CB 3.99Å; K197-W259 HydrophobicContact CG-CD2 4.41Å; K197-W259 HydrophobicContact CG-CE3 4.39Å; K197-W259 HydrophobicContact CG-CG 4.28Å; V224-W259 HydrophobicContact CB-CD2 3.97Å; V224-W259 HydrophobicContact CB-CE3 4.43Å; V224-W259 HydrophobicContact CB-CG 4.43Å; V224-W259 HydrophobicContact CB-CH2 4.39Å; V224-W259 HydrophobicContact CB-CZ2 3.9Å; V224-W259 HydrophobicContact CG1-CD2 4.22Å; V224-W259 HydrophobicContact CG1-CE3 4.41Å; V224-W259 HydrophobicContact CG1-CH2 3.59Å; V224-W259 HydrophobicContact CG1-CZ2 3.3Å; V224-W259 HydrophobicContact CG1-CZ3 4.12Å; V224-W259 PolarHBondContact N-O 2.94Å; V224-W259 PolarHBondContact O-N 2.96Å; G227-W259 VanDerWaalsContact N-CH2 3.27Å; Q257-W259 HydrophobicContact CB-CE3 4.15Å; Q257-W259 HydrophobicContact CB-CZ3 3.93Å
260L98.4Very high94.5Very high0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-106.8141.7169.6-68.9168.8000110.8I178 F180 Y210 I221 G222 L223 F281I178-L260 HydrophobicContact CD1-CB 4.17Å; I178-L260 PolarHBondContact N-O 3.27Å; F180-L260 HydrophobicContact CE2-CB 4.17Å; F180-L260 HydrophobicContact CE2-CD1 3.93Å; F180-L260 HydrophobicContact CZ-CB 4.49Å; F180-L260 HydrophobicContact CZ-CD1 3.64Å; Y210-L260 HydrophobicContact CD1-CD1 4.05Å; Y210-L260 HydrophobicContact CD1-CD2 3.58Å; Y210-L260 HydrophobicContact CD1-CG 4.38Å; Y210-L260 HydrophobicContact CE1-CD2 3.69Å; Y210-L260 HydrophobicContact CG-CD1 3.86Å; Y210-L260 HydrophobicContact CG-CD2 4.03Å; I221-L260 HydrophobicContact CD1-CB 4.09Å; I221-L260 HydrophobicContact CD1-CD1 4.16Å; I221-L260 HydrophobicContact CD1-CD2 4.25Å; I221-L260 HydrophobicContact CD1-CG 4.42Å; I221-L260 HydrophobicContact CG1-CB 4.34Å; I221-L260 HydrophobicContact CG1-CD2 4.26Å; G222-L260 WeakPolarHBondContact O-CA 3.36Å; L223-L260 HydrophobicContact CB-CD2 4.05Å; L223-L260 HydrophobicContact CD1-CD2 3.89Å; L223-L260 HydrophobicContact CD1-CG 4.4Å; L260-F281 HydrophobicContact CD1-CB 3.75Å; L260-F281 HydrophobicContact CD1-CD1 4.12Å; L260-F281 HydrophobicContact CD1-CD2 3.64Å; L260-F281 HydrophobicContact CD1-CE2 4.27Å; L260-F281 HydrophobicContact CD1-CG 3.57Å; L260-F281 HydrophobicContact CG-CD1 4.36Å; L260-F281 HydrophobicContact CG-CD2 4.12Å; L260-F281 HydrophobicContact CG-CE1 4.49Å; L260-F281 HydrophobicContact CG-CE2 4.25Å; L260-F281 HydrophobicContact CG-CG 4.19Å; L260-F281 HydrophobicContact CG-CZ 4.43Å
261Q96.8Very high94.4Very high23 Ų2348.1 Ų48.111%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-145.1149171.564.7178.953.500112.1M176 G222 V224 Y229M176-Q261 WeakPolarHBondContact O-CB 3.32Å; G222-Q261 PolarHBondContact N-O 3.38Å; G222-Q261 PolarHBondContact O-N 3.01Å; V224-Q261 HydrophobicContact CG2-CG 3.7Å; Y229-Q261 HydrophobicContact CE1-CG 4.12Å; Y229-Q261 PolarHBondContact OH-NE2 3.16Å
262I96.1Very high94.3Very high0 Ų044.7 Ų44.70%022%0.215CC..EExtended strand (participates in β ladder)trans-78.8127.6167.9-55.5-58.2000108.4P172 E174 R175 I178 L219 A220 I221 Y264 N268P172-I262 HydrophobicContact CG-CG1 4.44Å; E174-I262 HydrophobicContact CB-CB 4.37Å; E174-I262 HydrophobicContact CB-CG2 4.29Å; E174-I262 HydrophobicContact CG-CB 4.31Å; E174-I262 HydrophobicContact CG-CG2 3.97Å; R175-I262 WeakPolarHBondContact CA-O 3.37Å; R175-I262 PolarHBondContact N-O 2.89Å; I178-I262 HydrophobicContact CD1-CD1 4.06Å; I178-I262 HydrophobicContact CD1-CG1 4.02Å; L219-I262 HydrophobicContact CD1-CD1 3.82Å; A220-I262 WeakPolarHBondContact O-CA 3.32Å; I221-I262 HydrophobicContact CB-CD1 3.96Å; I221-I262 HydrophobicContact CD1-CD1 4.37Å; I221-I262 HydrophobicContact CG1-CD1 4.04Å; I262-Y264 WeakPolarHBondContact CG2-O 3.45Å; I262-N268 HydrophobicContact CG2-CB 4.06Å
263F89.8Confident94Very high15 Ų1546.5 Ų46.57%0.06622%0.224CC..  trans-106-18.4-17559.4-92.2000114.8A220 Y229 K232 F234A220-F263 VanDerWaalsContact C-CE1 3.42Å; A220-F263 HydrophobicContact CB-CD1 4.39Å; A220-F263 HydrophobicContact CB-CD2 4.4Å; A220-F263 HydrophobicContact CB-CE1 3.9Å; A220-F263 HydrophobicContact CB-CE2 3.92Å; A220-F263 HydrophobicContact CB-CZ 3.64Å; A220-F263 WeakPolarHBondContact O-CD1 3.49Å; A220-F263 WeakPolarHBondContact O-CE1 3.42Å; A220-F263 PolarHBondContact O-N 3.43Å; Y229-F263 HydrophobicContact CE1-CB 4.02Å; Y229-F263 HydrophobicContact CE1-CD1 4.08Å; Y229-F263 HydrophobicContact CE1-CG 4.29Å; Y229-F263 WeakPolarHBondContact OH-CB 3.45Å; K232-F263 HydrophobicContact CB-CE1 4.21Å; K232-F263 HydrophobicContact CB-CZ 4.1Å; K232-F263 HydrophobicContact CD-CZ 4.23Å; K232-F263 HydrophobicContact CG-CE1 4.25Å; K232-F263 HydrophobicContact CG-CZ 4.26Å; F234-F263 HydrophobicContact CD1-CZ 4.16Å; F234-F263 AromaticContact CE1-CE2 3.57Å; F234-F263 HydrophobicContact CE1-CE2 3.57Å; F234-F263 AromaticContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE2-CZ 4.13Å; F234-F263 AromaticContact CZ-CE2 3.67Å; F234-F263 HydrophobicContact CZ-CE2 3.67Å; F234-F263 AromaticContact CZ-CZ 3.35Å; F234-F263 HydrophobicContact CZ-CZ 3.35Å
264Y88.4Confident93.7Very high120 Ų12043.6 Ų43.647%0.47122%0.221SC..  trans-113.4123.5170.4-72.1-51.2000111A220 F234 I262 E266 Q267A220-Y264 HydrophobicContact CB-CD2 3.9Å; F234-Y264 HydrophobicContact CE1-CD2 4.29Å; F234-Y264 HydrophobicContact CE1-CE2 4.03Å; I262-Y264 WeakPolarHBondContact CG2-O 3.45Å; Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.21Å; Y264-Q267 CarbonylContact O-C 3.56Å; Y264-Q267 PolarHBondContact O-N 3.07Å
265S81.1Confident93.4Very high46 Ų4647.2 Ų47.232%0.32224%0.236SC..THydrogen-bonded Turntrans-59.6-35.7-177.1-60.70000113.3Q267S265-Q267 VanDerWaalsContact C-N 3.29Å; S265-Q267 PolarHBondContact O-N 2.83Å
266E85.1Confident92.9Very high155 Ų15550.4 Ų50.472%0.72424%0.236SC*.THydrogen-bonded Turntrans-80.6-9.1179.1-56.9-52.7138.700113.5Y264Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.21Å
267Q90.5Very high92.4Very high59 Ų5949.8 Ų49.828%0.27623%0.233SC..  trans-117.849.8-177-56.3-171.817.800111.2H218 L219 A220 Y264 S265H218-Q267 HydrophobicContact CB-CB 4.38Å; H218-Q267 HydrophobicContact CB-CG 4.18Å; H218-Q267 CarbonylContact O-C 3.46Å; H218-Q267 WeakPolarHBondContact O-CA 3.28Å; L219-Q267 CarbonylContact C-O 3.5Å; L219-Q267 WeakPolarHBondContact CA-O 3.47Å; A220-Q267 HydrophobicContact CB-CB 3.63Å; A220-Q267 HydrophobicContact CB-CG 4.46Å; A220-Q267 PolarHBondContact N-O 2.98Å; Y264-Q267 CarbonylContact O-C 3.56Å; Y264-Q267 PolarHBondContact O-N 3.07Å; S265-Q267 VanDerWaalsContact C-N 3.29Å; S265-Q267 PolarHBondContact O-N 2.83Å
268N94.1Very high91.9Very high0 Ų049.8 Ų49.80%024%0.235CC..  trans-101.871.9173.4-171.36.7000109.7Y171 P172 E174 H218 I262 L270Y171-N268 WeakPolarHBondContact CD1-O 3.45Å; Y171-N268 WeakPolarHBondContact CE1-O 3.44Å; P172-N268 PolarHBondContact O-ND2 2.87Å; E174-N268 HydrophobicContact CG-CB 3.96Å; E174-N268 PolarHBondContact OE1-ND2 3.24Å; H218-N268 PolarHBondContact O-N 3.04Å; I262-N268 HydrophobicContact CG2-CB 4.06Å; N268-L270 VanDerWaalsContact C-N 3.34Å
269G94.7Very high91.8Very high0 Ų049.8 Ų49.80%024%0.235CC..  trans-83.7-4.717900000114.9L214 A215 K217 H218 F271L214-G269 CarbonylContact C-O 3.43Å; L214-G269 WeakPolarHBondContact CA-O 3.5Å; L214-G269 WeakPolarHBondContact CB-O 3.4Å; A215-G269 PolarHBondContact N-O 3.28Å; K217-G269 WeakPolarHBondContact O-CA 3.28Å; H218-G269 WeakPolarHBondContact O-CA 3.39Å; H218-G269 PolarHBondContact O-N 2.83Å; G269-F271 PolarHBondContact O-N 3.5Å
270L95.6Very high91.8Very high0 Ų050 Ų500%024%0.239CC..BIsolated β-bridgetrans-58.5123.2-171.5-171.8155.1000111.1V167 S170 Y171 P172 I178 I212 L219 I221 N268V167-L270 HydrophobicContact CB-CD2 4.38Å; V167-L270 HydrophobicContact CG1-CD1 4.5Å; V167-L270 HydrophobicContact CG1-CD2 4.06Å; V167-L270 HydrophobicContact CG2-CD2 4.04Å; S170-L270 WeakPolarHBondContact CA-O 3.31Å; Y171-L270 PolarHBondContact N-O 3.4Å; P172-L270 HydrophobicContact CG-CD1 4.31Å; P172-L270 HydrophobicContact CG-CD2 4.42Å; I178-L270 HydrophobicContact CD1-CD1 4.11Å; I212-L270 HydrophobicContact CD1-CD1 4.2Å; I212-L270 HydrophobicContact CG2-CB 4.21Å; I212-L270 HydrophobicContact CG2-CD1 3.84Å; I212-L270 HydrophobicContact CG2-CG 3.74Å; L219-L270 HydrophobicContact CD1-CB 4.16Å; I221-L270 HydrophobicContact CD1-CD1 4.45Å; N268-L270 VanDerWaalsContact C-N 3.34Å
271F94.7Very high91.8Very high33 Ų3350 Ų5015%0.14524%0.239CC..  trans-123.9147.5-172.5-172.8-103.3000112.1S170 T213 A215 G269 D273 W276 S279S170-F271 WeakPolarHBondContact OG-CD2 3.38Å; T213-F271 HydrophobicContact CG2-CD1 4.49Å; T213-F271 PolarHBondContact O-N 3.44Å; A215-F271 HydrophobicContact CB-CB 3.63Å; A215-F271 HydrophobicContact CB-CD1 4.02Å; A215-F271 HydrophobicContact CB-CD2 3.74Å; A215-F271 HydrophobicContact CB-CE2 4.42Å; A215-F271 HydrophobicContact CB-CG 3.51Å; G269-F271 PolarHBondContact O-N 3.5Å; F271-D273 HydrophobicContact CE1-CB 3.81Å; F271-D273 HydrophobicContact CZ-CB 4.2Å; F271-W276 AromaticContact CE1-CZ2 3.99Å; F271-W276 HydrophobicContact CE1-CZ2 3.99Å; F271-S279 PolarHBondContact O-OG 2.87Å; F271-S279 VanDerWaalsContact O-OG 3.11Å
272F94.3Very high91.9Very high33 Ų3350.3 Ų50.315%0.14524%0.242CC..  trans-142.3135.6176170.5-102.2000110.1V167 T168 S170 P274V167-F272 HydrophobicContact CG2-CB 3.87Å; V167-F272 HydrophobicContact CG2-CD2 4.14Å; V167-F272 HydrophobicContact CG2-CG 4.25Å; V167-F272 WeakPolarHBondContact O-CD2 3.35Å; V167-F272 WeakPolarHBondContact O-CE2 3.38Å; T168-F272 VanDerWaalsContact C-CE1 3.48Å; T168-F272 WeakPolarHBondContact O-CD1 3.49Å; T168-F272 WeakPolarHBondContact O-CE1 3.46Å; S170-F272 PolarHBondContact OG-N 3.48Å; S170-F272 PolarHBondContact OG-O 3.13Å; S170-F272 VanDerWaalsContact OG-O 3.13Å; F272-P274 HydrophobicContact CE1-CB 4.25Å; F272-P274 HydrophobicContact CZ-CB 4.02Å
273D92.4Very high92Very high38 Ų3850.3 Ų50.320%0.20324%0.242CC..BIsolated β-bridgetrans-138.8124172-176.2-69.5000108.8F271 F275 W276 T277F271-D273 HydrophobicContact CE1-CB 3.81Å; F271-D273 HydrophobicContact CZ-CB 4.2Å; D273-F275 PolarHBondContact O-N 2.91Å; D273-F275 WeakPolarHBondContact OD1-CB 3.21Å; D273-F275 WeakPolarHBondContact OD1-CD2 3.16Å; D273-F275 PolarHBondContact OD1-N 3.01Å; D273-W276 VanDerWaalsContact CG-NE1 3.28Å; D273-W276 PolarHBondContact O-N 3.28Å; D273-W276 PolarHBondContact OD2-NE1 3.2Å; D273-T277 WeakPolarHBondContact CB-OG1 3.22Å; D273-T277 PolarHBondContact N-OG1 3.22Å; D273-T277 PolarHBondContact O-N 3.19Å; D273-T277 VanDerWaalsContact O-N 3.14Å
274P89.8Confident92.4Very high95 Ų9553.7 Ų53.762%0.61726%0.257SS*.THydrogen-bonded Turntrans-65.1-12.3-172.827.4-35.6000114.7F272F272-P274 HydrophobicContact CE1-CB 4.25Å; F272-P274 HydrophobicContact CZ-CB 4.02Å
275F89.8Confident92.9Very high187 Ų18749.2 Ų49.282%0.8224%0.241SC*.THydrogen-bonded Turntrans-98.3-31.9-176.8-59.6-75.6000113.7D273D273-F275 PolarHBondContact O-N 2.91Å; D273-F275 WeakPolarHBondContact OD1-CB 3.21Å; D273-F275 WeakPolarHBondContact OD1-CD2 3.16Å; D273-F275 PolarHBondContact OD1-N 3.01Å
276W86.3Confident93.5Very high144 Ų14450.1 Ų50.155%0.54524%0.242SC..THydrogen-bonded Turntrans-145.6-1.7-168.471.8-80.6000116.2H241 F271 D273H241-W276 HydrophobicContact CB-CH2 4.05Å; H241-W276 AromaticContact CD2-CH2 3.02Å; H241-W276 WeakPolarHBondContact CD2-CH2 3.32Å; H241-W276 AromaticContact CD2-CZ2 3.59Å; H241-W276 AromaticContact CD2-CZ3 3.92Å; H241-W276 AromaticContact CG-CH2 3.46Å; H241-W276 VanDerWaalsContact CG-CH2 3.46Å; H241-W276 AromaticContact NE2-CH2 3.41Å; H241-W276 WeakPolarHBondContact NE2-CH2 3.45Å; H241-W276 AromaticContact NE2-CZ2 3.44Å; H241-W276 WeakPolarHBondContact NE2-CZ2 3.44Å; F271-W276 AromaticContact CE1-CZ2 3.99Å; F271-W276 HydrophobicContact CE1-CZ2 3.99Å; D273-W276 VanDerWaalsContact CG-NE1 3.28Å; D273-W276 PolarHBondContact O-N 3.28Å; D273-W276 PolarHBondContact OD2-NE1 3.2Å
277T87.4Confident93.8Very high12 Ų1250.7 Ų50.77%0.07424%0.239CC..BIsolated β-bridgetrans-135.5142.3175.365.40000112.9T213 D273T213-T277 HydrophobicContact CG2-CG2 3.91Å; D273-T277 WeakPolarHBondContact CB-OG1 3.22Å; D273-T277 PolarHBondContact N-OG1 3.22Å; D273-T277 PolarHBondContact O-N 3.19Å; D273-T277 VanDerWaalsContact O-N 3.14Å
278D88.4Confident93.8Very high65 Ų6549.1 Ų49.135%0.34824%0.236SC..  trans-126.7147.6166-91.7-44000107.9R182 T213 T280R182-D278 IonicContact NH1-OD1 2.99Å; R182-D278 PolarHBondContact NH1-OD1 2.85Å; R182-D278 IonicContact NH1-OD2 2.97Å; R182-D278 PolarHBondContact NH1-OD2 3.25Å; T213-D278 PolarHBondContact OG1-O 3.42Å; D278-T280 HydrophobicContact CB-CG2 4.36Å
279S96.4Very high93.5Very high0 Ų051.7 Ų51.70%025%0.249CC..  trans-119.5121.8164.6-62.20000108.2A166 V167 D211 T213 F271A166-S279 VanDerWaalsContact CA-O 3.32Å; A166-S279 WeakPolarHBondContact CA-O 3.37Å; V167-S279 PolarHBondContact N-O 3.32Å; D211-S279 CarbonylContact O-C 3.54Å; D211-S279 VanDerWaalsContact O-CA 3.23Å; D211-S279 WeakPolarHBondContact O-CA 3.23Å; T213-S279 PolarHBondContact N-OG 3.33Å; F271-S279 PolarHBondContact O-OG 2.87Å; F271-S279 VanDerWaalsContact O-OG 3.11Å
280T97.9Very high92.7Very high26 Ų2656.9 Ų56.916%0.1627%0.274CS..EExtended strand (participates in β ladder)trans-117.1153.6-166.964.80000112.3V165 A166 Y210 D211 D278V165-T280 CarbonylContact O-C 3.6Å; V165-T280 VanDerWaalsContact O-CA 3.23Å; V165-T280 WeakPolarHBondContact O-CA 3.15Å; A166-T280 HydrophobicContact CB-CG2 4.36Å; Y210-T280 VanDerWaalsContact CA-O 3.24Å; Y210-T280 WeakPolarHBondContact CA-O 3.26Å; Y210-T280 VanDerWaalsContact CB-O 3.25Å; Y210-T280 WeakPolarHBondContact CB-O 3.39Å; D211-T280 PolarHBondContact N-O 2.93Å; D211-T280 VanDerWaalsContact N-O 3.11Å; D211-T280 PolarHBondContact O-N 3.2Å; D278-T280 HydrophobicContact CB-CG2 4.36Å
281F98.6Very high91.9Very high0 Ų063.4 Ų63.40%030%0.304CS..EExtended strand (participates in β ladder)trans-136.4128.5169.4177-141.8000108.5F163 V165 F180 Y191 F208 T209 L223 V258 L260F163-F281 AromaticContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD2 4.46Å; F163-F281 AromaticContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CG 4.01Å; F163-F281 HydrophobicContact CE2-CZ 4.12Å; F163-F281 AromaticContact CZ-CD1 3.98Å; F163-F281 HydrophobicContact CZ-CD1 3.98Å; F163-F281 AromaticContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE2 4.13Å; F163-F281 HydrophobicContact CZ-CG 4.44Å; F163-F281 AromaticContact CZ-CZ 3.64Å; F163-F281 HydrophobicContact CZ-CZ 3.64Å; V165-F281 HydrophobicContact CG2-CB 4.06Å; V165-F281 HydrophobicContact CG2-CD1 4.42Å; V165-F281 VanDerWaalsContact CG2-O 3.26Å; V165-F281 WeakPolarHBondContact CG2-O 3.43Å; V165-F281 PolarHBondContact N-O 2.75Å; V165-F281 PolarHBondContact O-N 2.94Å; F180-F281 HydrophobicContact CD1-CB 4Å; F180-F281 HydrophobicContact CD2-CB 4.17Å; F180-F281 HydrophobicContact CD2-CD1 4.33Å; F180-F281 HydrophobicContact CE1-CB 3.72Å; F180-F281 HydrophobicContact CE2-CB 3.91Å; F180-F281 HydrophobicContact CE2-CD1 4.24Å; F180-F281 HydrophobicContact CE2-CG 4.42Å; F180-F281 HydrophobicContact CG-CB 4.25Å; F180-F281 HydrophobicContact CZ-CB 3.71Å; Y191-F281 HydrophobicContact CE2-CD1 4.38Å; F208-F281 HydrophobicContact CB-CE2 4.37Å; F208-F281 AromaticContact CD1-CE2 3.89Å; F208-F281 HydrophobicContact CD1-CE2 3.89Å; F208-F281 AromaticContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CE1-CZ 4.39Å; T209-F281 WeakPolarHBondContact O-CD2 3.49Å; L223-F281 HydrophobicContact CD1-CE2 3.63Å; L223-F281 HydrophobicContact CD1-CZ 3.89Å; V258-F281 HydrophobicContact CG1-CZ 4.37Å; L260-F281 HydrophobicContact CD1-CB 3.75Å; L260-F281 HydrophobicContact CD1-CD1 4.12Å; L260-F281 HydrophobicContact CD1-CD2 3.64Å; L260-F281 HydrophobicContact CD1-CE2 4.27Å; L260-F281 HydrophobicContact CD1-CG 3.57Å; L260-F281 HydrophobicContact CG-CD1 4.36Å; L260-F281 HydrophobicContact CG-CD2 4.12Å; L260-F281 HydrophobicContact CG-CE1 4.49Å; L260-F281 HydrophobicContact CG-CE2 4.25Å; L260-F281 HydrophobicContact CG-CG 4.19Å; L260-F281 HydrophobicContact CG-CZ 4.43Å
282T98.8Very high91.1Very high28 Ų2864.6 Ų64.617%0.17231%0.309CS..EExtended strand (participates in β ladder)trans-136.6140.9-172.3-62.20000109.5F163 S164 F208 T209 F284F163-T282 WeakPolarHBondContact O-CA 3.12Å; F163-T282 WeakPolarHBondContact O-CG2 3.48Å; S164-T282 WeakPolarHBondContact CB-OG1 3.16Å; S164-T282 PolarHBondContact OG-OG1 3.04Å; F208-T282 WeakPolarHBondContact CA-O 3.45Å; T209-T282 HydrophobicContact CG2-CG2 4.34Å; T209-T282 PolarHBondContact N-O 3.45Å; T209-T282 PolarHBondContact O-N 3.45Å; T282-F284 HydrophobicContact CG2-CD1 4.48Å
283G98.5Very high90.2Very high0 Ų065.1 Ų65.10%031%0.313CS..EExtended strand (participates in β ladder)trans-153.1144.8171.900000112A162 F163 Y207A162-G283 CarbonylContact C-O 3.51Å; A162-G283 WeakPolarHBondContact CA-O 3.13Å; F163-G283 WeakPolarHBondContact CD1-O 3.47Å; F163-G283 PolarHBondContact N-O 2.82Å; F163-G283 PolarHBondContact O-N 3.29Å; Y207-G283 CarbonylContact O-C 3.52Å; Y207-G283 WeakPolarHBondContact O-CA 3.47Å
284F98.3Very high89.3Confident86 Ų8666.8 Ų66.838%0.37732%0.322SS..EExtended strand (participates in β ladder)trans-150.1151.3179.858.5-92.3000112.2S161 A162 Y206 Y207 T282 I286S161-F284 CarbonylContact O-C 3.44Å; S161-F284 WeakPolarHBondContact O-CA 3.25Å; A162-F284 HydrophobicContact CB-CB 3.69Å; Y206-F284 WeakPolarHBondContact CA-O 3.34Å; Y207-F284 HydrophobicContact CD1-CD1 4.44Å; Y207-F284 AromaticContact CD1-CE1 3.55Å; Y207-F284 HydrophobicContact CD1-CE1 3.55Å; Y207-F284 AromaticContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CE1-CE1 4.38Å; Y207-F284 HydrophobicContact CG-CE1 4.33Å; Y207-F284 HydrophobicContact CG-CZ 4.09Å; Y207-F284 PolarHBondContact N-O 2.99Å; Y207-F284 PolarHBondContact O-N 2.81Å; T282-F284 HydrophobicContact CG2-CD1 4.48Å; F284-I286 HydrophobicContact CE2-CG1 4.32Å
285L97.3Very high88.6Confident27 Ų2768.1 Ų68.114%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-69.7127.5174-179.667.8000109.6A159 S161 I202 Y206 Y287 A288A159-L285 HydrophobicContact CB-CD2 3.94Å; S161-L285 PolarHBondContact O-N 2.77Å; I202-L285 HydrophobicContact CB-CD2 4.43Å; I202-L285 HydrophobicContact CG2-CD2 3.83Å; Y206-L285 HydrophobicContact CD1-CB 4.18Å; Y206-L285 HydrophobicContact CD2-CD1 4.06Å; Y206-L285 HydrophobicContact CE1-CB 3.71Å; Y206-L285 HydrophobicContact CE1-CD1 4.14Å; Y206-L285 HydrophobicContact CE2-CD1 3.57Å; L285-Y287 WeakPolarHBondContact CD1-O 3.42Å; L285-A288 HydrophobicContact CD2-CB 4.09Å
286I95Very high87.7Confident65 Ų6560.9 Ų60.933%0.33330%0.295SS..EExtended strand (participates in β ladder)trans-92.2-52.3172.5-46.5178.8000109.3V205 V249 F284V205-I286 HydrophobicContact CG1-CD1 4.18Å; V205-I286 WeakPolarHBondContact O-CB 3.24Å; V205-I286 PolarHBondContact O-N 3.04Å; V249-I286 HydrophobicContact CG1-CD1 4.41Å; V249-I286 HydrophobicContact CG2-CD1 4.32Å; F284-I286 HydrophobicContact CE2-CG1 4.32Å
287Y91.3Very high86.9Confident167 Ų16757.8 Ų57.866%0.65529%0.289SS*.EExtended strand (participates in β ladder)trans-138.1123.3-178-58.6-64.4000109.7G204 V205 L285G204-Y287 CarbonylContact C-O 3.52Å; G204-Y287 VanDerWaalsContact CA-O 3.26Å; G204-Y287 WeakPolarHBondContact CA-O 3.31Å; V205-Y287 HydrophobicContact CB-CD2 4.49Å; V205-Y287 PolarHBondContact N-O 2.86Å; V205-Y287 PolarHBondContact O-N 3.4Å; L285-Y287 WeakPolarHBondContact CD1-O 3.42Å
288A90.9Very high86Confident26 Ų2664.5 Ų64.522%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-75.1148169.300000110.3A159 I202 L285 Q290 L293A159-A288 HydrophobicContact CB-CB 3.72Å; I202-A288 HydrophobicContact CG2-CB 4.1Å; L285-A288 HydrophobicContact CD2-CB 4.09Å; A288-Q290 PolarHBondContact O-N 2.79Å; A288-L293 HydrophobicContact CB-CD1 4.12Å; A288-L293 HydrophobicContact CB-CD2 4.03Å; A288-L293 HydrophobicContact CB-CG 4.06Å
289D87.6Confident85.1Confident53 Ų5368 Ų6828%0.28333%0.33SS..  trans-64.6133.6171.3-72.1-16.4000110.3P203 G204 E291 F292 L293P203-D289 HydrophobicContact CB-CB 4.25Å; P203-D289 VanDerWaalsContact CB-OD2 3.26Å; P203-D289 WeakPolarHBondContact CB-OD2 3.36Å; P203-D289 PolarHBondContact O-N 2.78Å; G204-D289 WeakPolarHBondContact CA-OD1 3.31Å; D289-E291 VanDerWaalsContact C-N 3.3Å; D289-E291 PolarHBondContact O-N 3.42Å; D289-F292 HydrophobicContact CB-CB 4.48Å; D289-F292 WeakPolarHBondContact O-CB 3.48Å; D289-F292 PolarHBondContact O-N 3.04Å; D289-L293 PolarHBondContact O-N 2.88Å
290Q77.8Confident83.5Confident110 Ų11070.4 Ų70.451%0.51435%0.349SS..Hα-helixtrans-66.7-33.9-174-170.864.836.100111.8A288 F292 L293 N294A288-Q290 PolarHBondContact O-N 2.79Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 2.92Å; Q290-L293 PolarHBondContact O-N 3.34Å; Q290-N294 PolarHBondContact NE2-OD1 3.41Å; Q290-N294 VanDerWaalsContact NE2-OD1 3.07Å; Q290-N294 WeakPolarHBondContact O-CB 3.32Å; Q290-N294 PolarHBondContact O-N 3.48Å; Q290-N294 PolarHBondContact O-ND2 2.82Å; Q290-N294 PolarHBondContact O-OD1 3.16Å
291E77.6Confident81.8Confident136 Ų13674.8 Ų74.864%0.63637%0.372SS*.Hα-helixtrans-59.6-42176.2-66.276.1-165.700111.3D289 N294 E295D289-E291 VanDerWaalsContact C-N 3.3Å; D289-E291 PolarHBondContact O-N 3.42Å; E291-N294 PolarHBondContact O-N 3.12Å; E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 3.37Å
292F78.3Confident80Confident58 Ų5878.3 Ų78.325%0.25440%0.396SS..Hα-helixtrans-64.2-43.9177.7176.5-93.8000111.6I202 P203 D289 Q290 E295 A296I202-F292 HydrophobicContact CB-CE1 4.38Å; I202-F292 HydrophobicContact CG1-CE1 4.19Å; I202-F292 HydrophobicContact CG1-CZ 4.26Å; I202-F292 HydrophobicContact CG2-CD1 3.98Å; I202-F292 HydrophobicContact CG2-CE1 3.81Å; I202-F292 HydrophobicContact CG2-CZ 4.47Å; P203-F292 HydrophobicContact CG-CD2 4.22Å; D289-F292 HydrophobicContact CB-CB 4.48Å; D289-F292 WeakPolarHBondContact O-CB 3.48Å; D289-F292 PolarHBondContact O-N 3.04Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 2.92Å; F292-E295 PolarHBondContact O-N 3.38Å; F292-A296 PolarHBondContact O-N 3.34Å
293L75.4Confident77.9Confident44 Ų4483.9 Ų83.923%0.2342%0.421CS..Hα-helixtrans-62.9-45.6177.1-63.4178.9000111.5A159 A288 D289 Q290 E295 A296 D297A159-L293 HydrophobicContact CB-CD2 3.84Å; A288-L293 HydrophobicContact CB-CD1 4.12Å; A288-L293 HydrophobicContact CB-CD2 4.03Å; A288-L293 HydrophobicContact CB-CG 4.06Å; D289-L293 PolarHBondContact O-N 2.88Å; Q290-L293 PolarHBondContact O-N 3.34Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 3.05Å; L293-A296 WeakPolarHBondContact O-CB 3.28Å; L293-A296 PolarHBondContact O-N 2.83Å; L293-A296 VanDerWaalsContact O-N 3.17Å; L293-D297 PolarHBondContact O-N 3.02Å
294N73.5Confident75.8Confident74 Ų7491 Ų9140%0.39646%0.459SS..Hα-helixtrans-62.9-35.4179.3-66.4-16.4000112.3Q290 E291 K298Q290-N294 PolarHBondContact NE2-OD1 3.41Å; Q290-N294 VanDerWaalsContact NE2-OD1 3.07Å; Q290-N294 WeakPolarHBondContact O-CB 3.32Å; Q290-N294 PolarHBondContact O-N 3.48Å; Q290-N294 PolarHBondContact O-ND2 2.82Å; Q290-N294 PolarHBondContact O-OD1 3.16Å; E291-N294 PolarHBondContact O-N 3.12Å; N294-K298 WeakPolarHBondContact O-CG 3.49Å; N294-K298 PolarHBondContact O-N 3.4Å; N294-K298 VanDerWaalsContact O-N 3.16Å
295E75Confident73.4Confident122 Ų12294.4 Ų94.457%0.5748%0.481SS*.Hα-helixtrans-70.3-39.9174.1-77.9-174.3179.700112.6E291 F292 L293 D297 K298 K299E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 3.37Å; F292-E295 PolarHBondContact O-N 3.38Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 3.05Å; E295-D297 VanDerWaalsContact C-N 3.35Å; E295-K298 PolarHBondContact O-N 3.22Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 VanDerWaalsContact O-N 3.08Å
296A71.1Confident70.8Confident36 Ų36100.3 Ų100.330%0.29852%0.524SS..Hα-helixtrans-61.9-44.1175.500000111.2F292 L293 K298 K299 A300F292-A296 PolarHBondContact O-N 3.34Å; L293-A296 WeakPolarHBondContact O-CB 3.28Å; L293-A296 PolarHBondContact O-N 2.83Å; L293-A296 VanDerWaalsContact O-N 3.17Å; A296-K298 PolarHBondContact O-N 3.49Å; A296-K299 PolarHBondContact O-N 3.33Å; A296-A300 PolarHBondContact O-N 3.34Å
297D70.3Confident69.6Low79 Ų79102.1 Ų102.142%0.42253%0.534SS..Hα-helixtrans-63.4-40.3177.4-69.4-17.2000111.9L293 E295 K299 A300 N301L293-D297 PolarHBondContact O-N 3.02Å; E295-D297 VanDerWaalsContact C-N 3.35Å; D297-K299 VanDerWaalsContact C-N 3.35Å; D297-K299 PolarHBondContact O-N 3.45Å; D297-A300 PolarHBondContact O-N 3.07Å; D297-N301 WeakPolarHBondContact O-CB 3.35Å; D297-N301 VanDerWaalsContact O-CG 3.26Å; D297-N301 PolarHBondContact O-N 3.24Å; D297-N301 PolarHBondContact O-ND2 3.1Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å
298K68.9Low68.5Low153 Ų15398.7 Ų98.767%0.66553%0.528SS*.Hα-helixtrans-61.6-41.4174.7-77.8174.7-177.1176.90112.4N294 E295 A296 S302N294-K298 WeakPolarHBondContact O-CG 3.49Å; N294-K298 PolarHBondContact O-N 3.4Å; N294-K298 VanDerWaalsContact O-N 3.16Å; E295-K298 PolarHBondContact O-N 3.22Å; A296-K298 PolarHBondContact O-N 3.49Å; K298-S302 PolarHBondContact O-N 3.4Å; K298-S302 VanDerWaalsContact O-N 3.16Å; K298-S302 PolarHBondContact O-OG 3.05Å
299K67.9Low67.2Low139 Ų139102.7 Ų102.760%0.60455%0.545SS*.Hα-helixtrans-66.2-46.9177.5-77.4-179.5179.8174.50111.6E295 A296 D297 N301 S302 E303E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 VanDerWaalsContact O-N 3.08Å; A296-K299 PolarHBondContact O-N 3.33Å; D297-K299 VanDerWaalsContact C-N 3.35Å; D297-K299 PolarHBondContact O-N 3.45Å; K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.48Å; K299-S302 WeakPolarHBondContact CA-OG 3.37Å; K299-S302 PolarHBondContact O-N 3.48Å; K299-S302 PolarHBondContact O-OG 3.46Å; K299-E303 PolarHBondContact O-N 3.49Å
300A64.4Low66Low50 Ų50105.6 Ų105.641%0.41356%0.56SS.*Hα-helixtrans-58.2-42.7178.400000111.7A296 D297 S302 E303A296-A300 PolarHBondContact O-N 3.34Å; D297-A300 PolarHBondContact O-N 3.07Å; A300-S302 VanDerWaalsContact C-N 3.3Å; A300-S302 PolarHBondContact O-N 3.43Å; A300-E303 PolarHBondContact O-N 3.18Å
301N60.8Low65.3Low117 Ų117105.4 Ų105.463%0.62656%0.563SS**Hα-helixtrans-72.4-20.2178.3-67.7-27.2000113.8D297 K299D297-N301 WeakPolarHBondContact O-CB 3.35Å; D297-N301 VanDerWaalsContact O-CG 3.26Å; D297-N301 PolarHBondContact O-N 3.24Å; D297-N301 PolarHBondContact O-ND2 3.1Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å; K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.48Å
302S60.8Low64.5Low74 Ų74103.3 Ų103.352%0.51756%0.559SS.*Hα-helixtrans-83.3-20.6176.464.90000114K298 K299 A300K298-S302 PolarHBondContact O-N 3.4Å; K298-S302 VanDerWaalsContact O-N 3.16Å; K298-S302 PolarHBondContact O-OG 3.05Å; K299-S302 WeakPolarHBondContact CA-OG 3.37Å; K299-S302 PolarHBondContact O-N 3.48Å; K299-S302 PolarHBondContact O-OG 3.46Å; A300-S302 VanDerWaalsContact C-N 3.3Å; A300-S302 PolarHBondContact O-N 3.43Å
303E56.2Low63.5Low146 Ų146106.6 Ų106.668%0.68258%0.58SS**Hα-helixtrans-85-18.8178.4-71.5177.7177.100112.7K299 A300 S306K299-E303 PolarHBondContact O-N 3.49Å; A300-E303 PolarHBondContact O-N 3.18Å; E303-S306 PolarHBondContact O-OG 3.17Å
304D53.8Low62.6Low149 Ų149111.4 Ų111.480%0.79761%0.607SS**THydrogen-bonded Turntrans-86.1-10.4178.7-142.119000112.8
305D48.1Very low61.7Low157 Ų157114.5 Ų114.584%0.8463%0.625SS**THydrogen-bonded Turntrans-100.36.1-179.3-112.1-8.5000113.2
306S42.9Very low60.5Low152 Ų152113.8 Ų113.8100%1.06363%0.63SS**  trans-120.50-178.766.10000113.3E303E303-S306 PolarHBondContact O-OG 3.17Å

Retrieved 306 of 306 residues in 232.2 ms (Link to these results)