FGF13_RAT Loading...

Fibroblast growth factor 13

Microtubule-binding protein which directly binds tubulin and is involved in both polymerization and stabilization of microtubules (By similarity). Through its action on microtubules, may participate in the refinement of axons by negatively regulating axonal and leading processes branching (By similarity). Plays a crucial role in neuron polarization and migration in the cerebral cortex and the hippocampus (By similarity). Regulates voltage-gated sodium channel transport and function (By similarity). May also play a role in MAPK signaling (By similarity). Required for the development of axonal initial segment-targeting inhibitory GABAergic synapses made by chandelier neurons (By similarity).

AlphaFold DB , UniProt , Accession Q9ERW3, Species RAT (Rattus norvegicus, Rat), Gene Fgf13, Length 245 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
1M56.8Low63.7Low225 Ų225108.2 Ų108.2100%1.10864%0.636SS**  0-25.30-104.1172.8-163.400115.1A3M1-A3 PolarHBondContact O-N 3.1Å
2A52.5Low64.5Low85 Ų85109.8 Ų109.870%0.70263%0.633SS**Hα-helixtrans-69.1-27.9-172.900000116.3A4 I5A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 2.72Å; A2-I5 PolarHBondContact O-N 2.76Å
3A56.7Low65.2Low80 Ų80114.5 Ų114.566%0.66164%0.641SS**Hα-helixtrans-70.2-24.2-175.200000114.6M1 S7M1-A3 PolarHBondContact O-N 3.1Å; A3-S7 PolarHBondContact O-OG 2.76Å; A3-S7 VanDerWaalsContact O-OG 3.11Å
4A61.1Low66Low74 Ų74120.1 Ų120.161%0.61265%0.648SS**Hα-helixtrans-72.9-31.1-179.200000112.6A2 S7A2-A4 VanDerWaalsContact C-N 3.33Å; A2-A4 PolarHBondContact O-N 2.72Å; A4-S7 PolarHBondContact O-N 2.81Å
5I60.2Low66.6Low114 Ų114120.2 Ų120.259%0.58564%0.642SS**Hα-helixtrans-75.1-38.2-176.7-56.9177.2000111A2 S7 S8A2-I5 PolarHBondContact O-N 2.76Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.07Å; I5-S8 PolarHBondContact O-N 2.8Å; I5-S8 PolarHBondContact O-OG 2.84Å
6A60.7Low66.4Low57 Ų57116.3 Ų116.347%0.47163%0.632SS.*Hα-helixtrans-65.6-29.3177.200000112.7I10A6-I10 WeakPolarHBondContact O-CG1 3.49Å
7S66.6Low66.4Low77 Ų77121.5 Ų121.554%0.53864%0.64SS.*Hα-helixtrans-74.6-31.6-178-58.30000113.1A3 A4 I5A3-S7 PolarHBondContact O-OG 2.76Å; A3-S7 VanDerWaalsContact O-OG 3.11Å; A4-S7 PolarHBondContact O-N 2.81Å; I5-S7 VanDerWaalsContact C-N 3.25Å; I5-S7 PolarHBondContact O-N 3.07Å
8S70.6Confident66.3Low64 Ų64122.6 Ų122.645%0.44864%0.641SS.*Hα-helixtrans-75.2-37.2179.682.60000112.4I5 I10 R11 Q12I5-S8 PolarHBondContact O-N 2.8Å; I5-S8 PolarHBondContact O-OG 2.84Å; S8-I10 VanDerWaalsContact C-N 3.35Å; S8-I10 PolarHBondContact O-N 3.06Å; S8-R11 PolarHBondContact O-N 2.88Å; S8-Q12 PolarHBondContact O-N 3.44Å; S8-Q12 VanDerWaalsContact O-N 3.12Å
9L68.3Low66Low105 Ų105125.8 Ų125.855%0.5564%0.644SS.*Hα-helixtrans-64.3-35.2178.7-85.3160.7000112.9K13L9-K13 PolarHBondContact O-N 2.7Å
10I71.3Confident65.7Low117 Ų117127.1 Ų127.160%0.665%0.647SS**Hα-helixtrans-70.8-35.4177.6-63.9168.1000111.3A6 S8 R14A6-I10 WeakPolarHBondContact O-CG1 3.49Å; S8-I10 VanDerWaalsContact C-N 3.35Å; S8-I10 PolarHBondContact O-N 3.06Å; I10-R14 PolarHBondContact O-N 3.22Å
11R76.1Confident65.2Low192 Ų192128.9 Ų128.973%0.72565%0.651SS**Hα-helixtrans-68.5-43.4175.6-93.5-174.6179.1-139.50.7112.2S8 K13 R14 Q15S8-R11 PolarHBondContact O-N 2.88Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.18Å; R11-R14 PolarHBondContact O-N 3.39Å; R11-Q15 PolarHBondContact O-N 3.38Å; R11-Q15 VanDerWaalsContact O-N 3.12Å
12Q73.6Confident65.2Low127 Ų127121.8 Ų121.859%0.59362%0.623SS**Hα-helixtrans-62.6-40.4177.7-76.9-176.2-1800112S8 R14 Q15 A16S8-Q12 PolarHBondContact O-N 3.44Å; S8-Q12 VanDerWaalsContact O-N 3.12Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.43Å; Q12-Q15 PolarHBondContact O-N 3.05Å; Q12-A16 PolarHBondContact O-N 3.28Å; Q12-A16 VanDerWaalsContact O-N 3.13Å
13K73.4Confident65.2Low171 Ų171123.6 Ų123.674%0.74362%0.621SS**Hα-helixtrans-69.2-27.1179.5-151170.6-174.31740113.4L9 R11L9-K13 PolarHBondContact O-N 2.7Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.18Å
14R76.2Confident64.7Low194 Ų194123.9 Ų123.973%0.73262%0.623SS**Hα-helixtrans-73.7-40.6170.6-93-176.1173.5-175.7-2.9112.5I10 R11 Q12 A16 R17 E18I10-R14 PolarHBondContact O-N 3.22Å; R11-R14 PolarHBondContact O-N 3.39Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 3.43Å; R14-A16 PolarHBondContact O-N 2.87Å; R14-R17 PolarHBondContact O-N 3.27Å; R14-E18 PolarHBondContact O-N 2.94Å
15Q74.2Confident63.9Low121 Ų121125.7 Ų125.757%0.56563%0.63SS**Hα-helixtrans-67.5-33.9179.8-73.7-178.9-12.300113.2R11 Q12 R17 R19R11-Q15 PolarHBondContact O-N 3.38Å; R11-Q15 VanDerWaalsContact O-N 3.12Å; Q12-Q15 PolarHBondContact O-N 3.05Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.82Å; Q15-R19 PolarHBondContact O-N 3.48Å
16A64.4Low63Low58 Ų58128.6 Ų128.648%0.47964%0.638SS.*Hα-helixtrans-65.2-36175.500000112.7Q12 R14 R19 E20Q12-A16 PolarHBondContact O-N 3.28Å; Q12-A16 VanDerWaalsContact O-N 3.13Å; R14-A16 PolarHBondContact O-N 2.87Å; A16-R19 PolarHBondContact O-N 3.44Å; A16-E20 PolarHBondContact O-N 3.05Å
17R66.2Low61.8Low205 Ų205131.6 Ų131.677%0.77465%0.654SS**Hα-helixtrans-76.8-27.1-177.8-141.1175.9-170.3-120.92.1113.5R14 Q15R14-R17 PolarHBondContact O-N 3.27Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.82Å
18E65.1Low60.4Low141 Ų141134.8 Ų134.866%0.65967%0.671SS**Hα-helixtrans-71.3-35.5172.7-74.4-86.7126.200111.6R14 K21 S22R14-E18 PolarHBondContact O-N 2.94Å; E18-K21 PolarHBondContact O-N 3.26Å; E18-S22 PolarHBondContact O-N 3.32Å
19R60Low58.9Low184 Ų184137.5 Ų137.569%0.69469%0.689SS**Hα-helixtrans-69.8-31178.5-71.7-177.6179.7-164.60114Q15 A16 K21 S22Q15-R19 PolarHBondContact O-N 3.48Å; A16-R19 PolarHBondContact O-N 3.44Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-S22 PolarHBondContact O-OG 3.18Å
20E59Low57.6Low151 Ų151137.9 Ų137.971%0.70670%0.701SS**Hα-helixtrans-71.8-30.1173.6-74-169.2144.100112.2A16A16-E20 PolarHBondContact O-N 3.05Å
21K56.6Low56.5Low165 Ų165137.9 Ų137.972%0.71771%0.709SS**Hα-helixtrans-76.7-26.9-178.8-150.7174.5-178.5-172.30112.8E18 R19E18-K21 PolarHBondContact O-N 3.26Å; R19-K21 VanDerWaalsContact C-N 3.33Å
22S55.5Low54.9Low75 Ų75133.8 Ų133.852%0.52471%0.709SS.*Hα-helixtrans-77.1-20.6174.955.60000114.2E18 R19E18-S22 PolarHBondContact O-N 3.32Å; R19-S22 PolarHBondContact O-OG 3.18Å
23N52.9Low53.5Low124 Ų124138.1 Ų138.166%0.66373%0.726SS**Hα-helixtrans-91.3-12.6-178.8-75.7-14.7000114C25N23-C25 VanDerWaalsContact C-N 3.31Å; N23-C25 PolarHBondContact O-N 3.23Å
24A47.4Very low52.1Low85 Ų85134 Ų13470%0.70273%0.732SS**THydrogen-bonded Turntrans-81.6-2.1-179.300000114.5
25C43.4Very low50.3Low112 Ų112134.6 Ų134.676%0.75774%0.74SS**THydrogen-bonded Turntrans-105.616.2-171-69.60000115.9N23N23-C25 VanDerWaalsContact C-N 3.31Å; N23-C25 PolarHBondContact O-N 3.23Å
26K42.3Very low48.9Very low175 Ų175135.6 Ų135.676%0.76176%0.755SS**  trans-103.813.1-170.3-83.4-171.1177.7178.70118.1
27C34.8Very low47.7Very low120 Ų120138 Ų13881%0.81177%0.768SS**  trans-130.457.6-171.5-57.50000115.1
28V37.1Very low46.5Very low145 Ų145133.5 Ų133.588%0.87977%0.767SS**  trans-153.8103.6162.4-169.40000111.3
29S39.2Very low45.4Very low120 Ų120133.3 Ų133.384%0.83977%0.77SS**  trans-172.4132.8153.450.50000112.4
30S39.8Very low44.9Very low114 Ų114132.8 Ų132.880%0.79777%0.773SS**  trans-65.9-157.7-170.7-36.60000116.3
31P50.1Low44Very low117 Ų117132.5 Ų132.576%0.7678%0.776SS**  cis-144.4174.6-10.633.6-9.3000118
32S41Very low43.9Very low105 Ų105133.6 Ų133.673%0.73478%0.781SS**  trans6.3139.4156.165.70000124.4
33K44.7Very low43.9Very low218 Ų218137.5 Ų137.595%0.94880%0.795SS**  174.5143.3128.3-100.2172.9-177.4-179.70113.3
34G44Very low43.4Very low85 Ų85138 Ų13888%0.87680%0.798SS**  trans144.698.6155.900000117
35K38.2Very low43.8Very low207 Ų207139.9 Ų139.990%0.980%0.801SS**  trans-97.6138.5170.4-98.7-179.7173176.50110
36T44.9Very low44.1Very low142 Ų142143 Ų14387%0.87180%0.801SS**  trans-171.2107152.522.40000108.1
37S38.5Very low44.5Very low107 Ų107139.2 Ų139.275%0.74880%0.797SS**  60.5109.494.3-166.50000116
38C41.5Very low45.4Very low112 Ų112144.7 Ų144.776%0.75780%0.801SS**  165.6112.8121.5-890000112.4
39D42.3Very low46.3Very low137 Ų137143 Ų14373%0.73379%0.791SS**  54.5131.3129.9-86.9-35.3000125.2
40K49Very low47Very low172 Ų172145.2 Ų145.275%0.74879%0.785SS**  trans91.1107.5141.8-69.8166.3-172.1174.10119.7
41N40.7Very low47.8Very low145 Ų145147.3 Ų147.378%0.77579%0.786SS**  50.1110.9129.7-70.6-6.6000118.1
42K55Low47.9Very low189 Ų189150.2 Ų150.282%0.82279%0.787SS**  173.3124.8107-93.2167.5-177.1-175.90111.2
43L56.1Low48.2Very low156 Ų156148.2 Ų148.282%0.81778%0.783SS**  trans66.1106.2139.4-58.9168.5000118.3V45L43-V45 PolarHBondContact O-N 3.46Å
44N41.9Very low48.7Very low136 Ų136142.8 Ų142.873%0.72777%0.773SS**  trans-43.6111.9153.9-92.2-22.4000111.5F46N44-F46 HydrophobicContact CB-CD2 4.2Å; N44-F46 HydrophobicContact CB-CE2 3.98Å
45V54.8Low49.4Very low124 Ų124148.1 Ų148.175%0.75277%0.772SS**  trans-119.699152.2176.40000106.4L43 S47L43-V45 PolarHBondContact O-N 3.46Å; V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 3.41Å
46F49.7Very low50.2Low176 Ų176147.5 Ų147.577%0.77277%0.769SS**  trans-65.385.2170.2-73.6-88.3000109.1N44 R48N44-F46 HydrophobicContact CB-CD2 4.2Å; N44-F46 HydrophobicContact CB-CE2 3.98Å; F46-R48 VanDerWaalsContact C-N 3.32Å; F46-R48 PolarHBondContact O-N 3.49Å
47S52.3Low50.7Low97 Ų97151.7 Ų151.768%0.67877%0.769SS**  trans-77.192.7163.450.70000108.2V45 V49V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 3.41Å; S47-V49 PolarHBondContact O-N 2.76Å
48R52.2Low51.6Low234 Ų234157.9 Ų157.988%0.88378%0.776SS**  trans-64.374173-155.6178-167.3174.14.3109.3F46 K50F46-R48 VanDerWaalsContact C-N 3.32Å; F46-R48 PolarHBondContact O-N 3.49Å; R48-K50 PolarHBondContact O-N 2.95Å; R48-K50 VanDerWaalsContact O-N 3.07Å
49V55.8Low52.6Low110 Ų110164 Ų16467%0.66778%0.783SS**  trans-72.3102.3170.1-175.20000106.7S47 L51S47-V49 PolarHBondContact O-N 2.76Å; V49-L51 PolarHBondContact O-N 2.78Å
50K55.3Low53.7Low167 Ų167168.8 Ų168.873%0.72679%0.791SS**  trans-59.691.7161.3-79.1-178.7178.1172.70106.8R48 F52R48-K50 PolarHBondContact O-N 2.95Å; R48-K50 VanDerWaalsContact O-N 3.07Å; K50-F52 HydrophobicContact CB-CD2 4.41Å; K50-F52 HydrophobicContact CB-CE2 4.37Å; K50-F52 PolarHBondContact O-N 2.83Å
51L54.7Low54.6Low157 Ų157171.6 Ų171.682%0.82280%0.797SS**  trans-59.896.3155.6-103.199.8000105.3V49 G53V49-L51 PolarHBondContact O-N 2.78Å; L51-G53 PolarHBondContact O-N 2.91Å
52F52.7Low56.1Low178 Ų178170.4 Ų170.478%0.78180%0.797SS**  trans-57.591.6154.5-81-88.9000105.7K50 S54K50-F52 HydrophobicContact CB-CD2 4.41Å; K50-F52 HydrophobicContact CB-CE2 4.37Å; K50-F52 PolarHBondContact O-N 2.83Å; F52-S54 PolarHBondContact O-N 2.77Å
53G47.5Very low56.9Low63 Ų63166.9 Ų166.965%0.64978%0.784SS**  trans-59.786.4167.800000106.8L51 K55L51-G53 PolarHBondContact O-N 2.91Å; G53-K55 PolarHBondContact O-N 2.81Å
54S56.4Low57.7Low105 Ų105163.4 Ų163.473%0.73477%0.771SS**  trans-56.595.9162.9-720000104.9F52 K56F52-S54 PolarHBondContact O-N 2.77Å; S54-K56 PolarHBondContact O-N 2.7Å
55K57.4Low59.7Low197 Ų197163.1 Ų163.186%0.85777%0.765SS**  trans-53.491.8160.2-79.3-179.5176173.10104.3G53 R57G53-K55 PolarHBondContact O-N 2.81Å; K55-R57 PolarHBondContact O-N 2.69Å
56K55.4Low61.4Low193 Ų193158.9 Ų158.984%0.83974%0.738SS**  trans-56.692.7164.5-88.8-176.5176175.40103.6S54 R58S54-K56 PolarHBondContact O-N 2.7Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.76Å
57R55.6Low63.5Low231 Ų231157.5 Ų157.587%0.87273%0.732SS**  trans-51.5106164.8-71.5-179.9103.9159.23.8102.8K55 R59K55-R57 PolarHBondContact O-N 2.69Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.37Å
58R57.6Low65.5Low237 Ų237153.1 Ų153.189%0.89470%0.701SS**  trans-52.5104.1171.6-84.2-174.8159.9-172.4-4.3104.3K56 R60K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.76Å; R58-R60 PolarHBondContact O-N 3.31Å
59R62.6Low67.6Low240 Ų240144.1 Ų144.191%0.90667%0.67SS**  trans-53.7112171.5-80-171.9173.1178.6-1.8104.3R57 R61R57-R59 VanDerWaalsContact C-N 3.28Å; R57-R59 PolarHBondContact O-N 3.37Å; R59-R61 PolarHBondContact O-N 3.15Å
60R65.3Low69.7Low238 Ų238139.4 Ų139.490%0.89864%0.642SS**PPolyproline II helixtrans-54.3116.7175.3-77.1-173.7169.1175.3-3.7105.2R58R58-R60 PolarHBondContact O-N 3.31Å
61R67.1Low71.7Confident231 Ų231131.4 Ų131.487%0.87261%0.607SS**PPolyproline II helixtrans-56.4132.9173.5-73.7-175175.1178.1-2.2106.3R59 E63R59-R61 PolarHBondContact O-N 3.15Å; R61-E63 PolarHBondContact O-N 3.22Å
62P72.7Confident73.7Confident119 Ų119126.3 Ų126.377%0.77358%0.578SS**PPolyproline II helixtrans-51.2134.4173-23.232.3000108.7
63E71.4Confident75.9Confident115 Ų115117.9 Ų117.954%0.53754%0.541SS..PPolyproline II helixtrans-58.3142.1174.2-68.8-168.3151.300109.1R61 Q65 K205R61-E63 PolarHBondContact O-N 3.22Å; E63-Q65 PolarHBondContact O-N 2.93Å; E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.12Å; E63-K205 VanDerWaalsContact OE2-CD 3.32Å; E63-K205 WeakPolarHBondContact OE2-CD 3.21Å; E63-K205 WeakPolarHBondContact OE2-CE 3.37Å; E63-K205 IonicContact OE2-NZ 2.78Å; E63-K205 PolarHBondContact OE2-NZ 3.25Å
64P73.5Confident78.3Confident84 Ų84118.5 Ų118.555%0.54552%0.524SS..PPolyproline II helixtrans-55.1124.2175.4-22.332.3000110.3
65Q83.2Confident80.3Confident130 Ų130113.5 Ų113.561%0.60749%0.489SS*.EExtended strand (participates in β ladder)trans-109.8125.8174.8-58.4-176.8-0.100109.5E63 M203 Y204E63-Q65 PolarHBondContact O-N 2.93Å; Q65-M203 HydrophobicContact CB-CE 3.64Å; Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.13Å
66L90.7Very high82.2Confident34 Ų34109.3 Ų109.318%0.17847%0.468CS..EExtended strand (participates in β ladder)trans-92.4131.9175.9-59.9172.6000109.2G68 I105 P106 M203 Y204 E206L66-G68 PolarHBondContact O-N 2.87Å; L66-I105 HydrophobicContact CB-CG2 4.38Å; L66-I105 HydrophobicContact CD1-CG2 3.79Å; L66-P106 HydrophobicContact CB-CG 4.41Å; L66-P106 WeakPolarHBondContact CD1-O 3.24Å; L66-M203 WeakPolarHBondContact O-CA 3.32Å; L66-Y204 PolarHBondContact N-O 3.28Å; L66-Y204 PolarHBondContact O-N 3.29Å; L66-E206 HydrophobicContact CD1-CB 3.96Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.3Å
67K93.4Very high84.2Confident148 Ų148102.2 Ų102.264%0.64344%0.438SS*.EExtended strand (participates in β ladder)trans-8898.1175.4-173.1179.1-177.1-1790109.5P106 V201 M203K67-P106 WeakPolarHBondContact O-CG 3.47Å; K67-V201 HydrophobicContact CD-CG1 4.27Å; K67-V201 VanDerWaalsContact CE-CG1 3.48Å; K67-V201 HydrophobicContact CG-CG1 3.75Å; K67-M203 HydrophobicContact CB-CE 4.43Å; K67-M203 HydrophobicContact CB-SD 3.83Å; K67-M203 HydrophobicContact CG-SD 3.95Å
68G95.2Very high86.2Confident4 Ų492.5 Ų92.54%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-107.7-167.717600000112.6L66 L104 A202L66-G68 PolarHBondContact O-N 2.87Å; G68-L104 VanDerWaalsContact CA-O 3.28Å; G68-L104 WeakPolarHBondContact CA-O 3.35Å; G68-A202 CarbonylContact C-O 3.57Å; G68-A202 PolarHBondContact N-O 3.41Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å
69I97.2Very high88.2Confident45 Ų4582.8 Ų82.823%0.23137%0.373CS..EExtended strand (participates in β ladder)trans-131151.6176.960.3173.4000110.9T71 L104 P198 K200 V201 Y204I69-T71 HydrophobicContact CD1-CG2 4.2Å; I69-T71 HydrophobicContact CG1-CG2 4.35Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.33Å; I69-L104 HydrophobicContact CG1-CB 3.71Å; I69-L104 HydrophobicContact CG1-CD2 4.49Å; I69-L104 PolarHBondContact N-O 3.43Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 3.19Å; I69-P198 HydrophobicContact CD1-CB 4.24Å; I69-P198 HydrophobicContact CD1-CG 4.19Å; I69-K200 CarbonylContact C-O 3.57Å; I69-K200 WeakPolarHBondContact CA-O 3.38Å; I69-V201 HydrophobicContact CG2-CG2 4.27Å; I69-Y204 PolarHBondContact O-OH 3.4Å
70V98.1Very high89.9Confident11 Ų1171.5 Ų71.57%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-92.7124.2159.8-1790000106.4L101 F102 V117 L199 K200 A202 Y204V70-L101 HydrophobicContact CG1-CD2 4.45Å; V70-F102 CarbonylContact C-O 3.59Å; V70-F102 WeakPolarHBondContact CA-O 3.47Å; V70-V117 HydrophobicContact CG1-CG2 4.14Å; V70-L199 HydrophobicContact CG1-CD2 4.43Å; V70-L199 WeakPolarHBondContact O-CB 3.05Å; V70-L199 PolarHBondContact O-N 3.43Å; V70-K200 HydrophobicContact CB-CG 3.99Å; V70-K200 HydrophobicContact CG2-CG 4.06Å; V70-K200 PolarHBondContact N-O 2.69Å; V70-K200 PolarHBondContact O-N 2.84Å; V70-A202 HydrophobicContact CG2-CB 4.33Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.39Å
71T98.1Very high91.5Very high0 Ų060.2 Ų60.20%029%0.288CS..EExtended strand (participates in β ladder)trans-143.9154.9-173.8-169.90000110.9I69 L73 F102 L104 K197I69-T71 HydrophobicContact CD1-CG2 4.2Å; I69-T71 HydrophobicContact CG1-CG2 4.35Å; T71-L73 HydrophobicContact CG2-CD2 4.17Å; T71-F102 PolarHBondContact N-O 3.01Å; T71-F102 PolarHBondContact O-N 3.38Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.36Å; T71-L104 HydrophobicContact CG2-CD2 4.44Å; T71-K197 WeakPolarHBondContact CA-O 3.37Å; T71-K197 PolarHBondContact OG1-N 3.45Å; T71-K197 PolarHBondContact OG1-O 3.4Å
72K98Very high92.9Very high50 Ų5050.1 Ų50.122%0.21725%0.251CS..EExtended strand (participates in β ladder)trans-91.3151.8157.3-60.9-178.1179.81740108.8E95 T100 L101 P196 K197K72-E95 PolarHBondContact NZ-O 2.88Å; K72-T100 WeakPolarHBondContact CE-OG1 3.44Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; K72-P196 WeakPolarHBondContact O-CA 3.38Å; K72-K197 HydrophobicContact CB-CB 4.33Å; K72-K197 PolarHBondContact N-O 3.06Å; K72-K197 PolarHBondContact O-N 3.43Å
73L98.1Very high94.2Very high0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-113.3101.6175.2-66.4177.6000108.8T71 L81 I114 Y155 F194 P196T71-L73 HydrophobicContact CG2-CD2 4.17Å; L73-L81 HydrophobicContact CB-CB 4.06Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.17Å; L73-I114 HydrophobicContact CD1-CD1 4.44Å; L73-I114 HydrophobicContact CD1-CG2 4.26Å; L73-Y155 HydrophobicContact CD1-CE2 4.23Å; L73-Y155 HydrophobicContact CD2-CE2 4.05Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.25Å; L73-F194 HydrophobicContact CB-CD1 4.2Å; L73-P196 HydrophobicContact CD2-CB 4.21Å; L73-P196 HydrophobicContact CD2-CG 4.19Å
74Y98.1Very high95.4Very high76 Ų7641.8 Ų41.830%0.29820%0.202SC..EExtended strand (participates in β ladder)trans-86.8116.1179.5-178.6-108.4000110.1H80 F194 L195Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.49Å; Y74-H80 WeakPolarHBondContact CD2-NE2 3.27Å; Y74-F194 CarbonylContact O-C 3.59Å; Y74-F194 WeakPolarHBondContact O-CA 3.37Å; Y74-L195 HydrophobicContact CD1-CB 4.48Å; Y74-L195 PolarHBondContact N-O 3.49Å; Y74-L195 PolarHBondContact O-N 3.09Å
75S98.1Very high96.5Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-73.5140.8175.5179.10000110.7Q77 G78 Y79S75-Q77 PolarHBondContact O-N 3.42Å; S75-Q77 WeakPolarHBondContact OG-CB 3.41Å; S75-Q77 WeakPolarHBondContact OG-CG 3.23Å; S75-Q77 PolarHBondContact OG-N 2.87Å; S75-G78 PolarHBondContact O-N 2.84Å; S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.36Å; S75-Y79 PolarHBondContact N-O 3.34Å
76R97.5Very high97.2Very high109 Ų10940.3 Ų40.341%0.41120%0.203SC..THydrogen-bonded Turntrans-56.4-20.3171.3-176.1176.9173.7176.96.1112.5G78 Y152 P190 H193R76-G78 PolarHBondContact O-N 2.92Å; R76-Y152 HydrophobicContact CB-CE1 3.97Å; R76-Y152 HydrophobicContact CG-CE1 3.97Å; R76-P190 HydrophobicContact CG-CB 4.18Å; R76-H193 HydrophobicContact CB-CB 3.77Å; R76-H193 PolarHBondContact N-O 2.8Å; R76-H193 PolarHBondContact NH1-CE1 3.27Å; R76-H193 PolarHBondContact NH1-ND1 2.89Å
77Q97.4Very high97.4Very high44 Ų4439.2 Ų39.221%0.20620%0.2CC..THydrogen-bonded Turntrans-71.3-7.1176.6-57.3-66.396.400113.9S75 Y79 N174S75-Q77 PolarHBondContact O-N 3.42Å; S75-Q77 WeakPolarHBondContact OG-CB 3.41Å; S75-Q77 WeakPolarHBondContact OG-CG 3.23Å; S75-Q77 PolarHBondContact OG-N 2.87Å; Q77-Y79 HydrophobicContact CB-CD2 4.12Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.4Å; Q77-N174 WeakPolarHBondContact CB-O 3.44Å; Q77-N174 VanDerWaalsContact CG-O 3.28Å; Q77-N174 WeakPolarHBondContact CG-O 2.96Å; Q77-N174 PolarHBondContact NE2-O 3.06Å
78G97.8Very high97.6Very high27 Ų2735.1 Ų35.128%0.27819%0.188SC..THydrogen-bonded Turntrans97.120.5177.500000114.9S75 R76S75-G78 PolarHBondContact O-N 2.84Å; R76-G78 PolarHBondContact O-N 2.92Å
79Y98.5Very high97.8Very high33 Ų3335.6 Ų35.613%0.12919%0.189CC..EExtended strand (participates in β ladder)trans-130.5144.7-177-59.6-92.7000111.1S75 Q77 G91 T92 K93 K175S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.36Å; S75-Y79 PolarHBondContact N-O 3.34Å; Q77-Y79 HydrophobicContact CB-CD2 4.12Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.4Å; Y79-G91 WeakPolarHBondContact CD1-O 3.42Å; Y79-T92 CarbonylContact C-O 3.54Å; Y79-T92 WeakPolarHBondContact CA-O 3.45Å; Y79-K93 HydrophobicContact CD1-CG 3.87Å; Y79-K93 HydrophobicContact CE1-CD 4.29Å; Y79-K93 HydrophobicContact CE1-CG 3.87Å; Y79-K175 VanDerWaalsContact CE2-O 3.28Å; Y79-K175 WeakPolarHBondContact CE2-O 3.47Å; Y79-K175 PolarHBondContact OH-O 2.89Å
80H98.3Very high97.8Very high4 Ų435.5 Ų35.52%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-79.7127.5163.8-79.8-102.1000109.3Y74 Q82 G91 T92 E95 T100 K197Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.49Å; Y74-H80 WeakPolarHBondContact CD2-NE2 3.27Å; H80-Q82 PolarHBondContact O-N 3.39Å; H80-G91 CarbonylContact O-C 3.54Å; H80-G91 WeakPolarHBondContact O-CA 3.47Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.77Å; H80-T92 PolarHBondContact O-N 2.82Å; H80-E95 IonicContact NE2-OE1 3.62Å; H80-T100 HydrophobicContact CB-CG2 3.86Å; H80-K197 PolarHBondContact CE1-NZ 2.95Å; H80-K197 PolarHBondContact NE2-NZ 2.72Å; H80-K197 VanDerWaalsContact NE2-NZ 3.18Å
81L98.4Very high97.8Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-57.7137.3170.8-170.170000108.8L73 I89 T100 F102 L123 L171 L173L73-L81 HydrophobicContact CB-CB 4.06Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.17Å; L81-I89 HydrophobicContact CD1-CG2 4.07Å; L81-T100 WeakPolarHBondContact O-CA 3.48Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD2-CE2 4.07Å; L81-F102 HydrophobicContact CD2-CZ 3.92Å; L81-F102 HydrophobicContact CG-CE2 4.07Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.28Å; L81-L123 HydrophobicContact CD2-CD1 3.97Å; L81-L171 HydrophobicContact CD1-CD1 4.48Å; L81-L171 HydrophobicContact CD2-CD2 4.12Å; L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.18Å; L81-L173 HydrophobicContact CD1-CG 4.47Å
82Q98Very high97.8Very high20 Ų2036.8 Ų36.89%0.09320%0.199CC..EExtended strand (participates in β ladder)trans-131.1143-179.3177.5168.6-19.600109.8H80 Q84 D90 T92 T100H80-Q82 PolarHBondContact O-N 3.39Å; Q82-Q84 HydrophobicContact CG-CG 3.99Å; Q82-Q84 VanDerWaalsContact NE2-CG 3.34Å; Q82-D90 PolarHBondContact N-O 3.33Å; Q82-D90 PolarHBondContact O-N 2.89Å; Q82-T92 HydrophobicContact CB-CG2 4.09Å; Q82-T100 HydrophobicContact CB-CG2 4.34Å
83L98.3Very high97.8Very high2 Ų241.5 Ų41.51%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-125.5100.7170.4169.651.2000108.7I89 Y99 F102 T119 L121 L123 T133L83-I89 HydrophobicContact CD1-CG1 4.15Å; L83-Y99 PolarHBondContact N-O 2.81Å; L83-Y99 VanDerWaalsContact N-O 3.09Å; L83-Y99 WeakPolarHBondContact O-CB 3.4Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.41Å; L83-F102 HydrophobicContact CB-CE1 3.72Å; L83-F102 HydrophobicContact CB-CZ 3.91Å; L83-F102 HydrophobicContact CD2-CE1 4.29Å; L83-T119 HydrophobicContact CG-CG2 4.47Å; L83-L121 HydrophobicContact CD2-CB 4.15Å; L83-L123 HydrophobicContact CD2-CD2 4.17Å; L83-T133 HydrophobicContact CD1-CG2 3.33Å; L83-T133 HydrophobicContact CD2-CG2 4.31Å; L83-T133 HydrophobicContact CG-CG2 4.48Å
84Q97.7Very high97.7Very high57 Ų5745.4 Ų45.427%0.26624%0.241SC..  trans-71164.1-175.5-68.1-173.864.100112.5Q82 D86 G87 T88 D90 T119Q82-Q84 HydrophobicContact CG-CG 3.99Å; Q82-Q84 VanDerWaalsContact NE2-CG 3.34Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.17Å; Q84-D86 PolarHBondContact O-N 2.89Å; Q84-G87 PolarHBondContact O-N 2.9Å; Q84-T88 PolarHBondContact N-O 2.98Å; Q84-D90 PolarHBondContact NE2-OD1 3.47Å; Q84-D90 PolarHBondContact NE2-OD2 2.58Å; Q84-T119 WeakPolarHBondContact O-CG2 3.32Å
85A97.1Very high97.4Very high69 Ų6946.8 Ų46.857%0.5725%0.25SC*.THydrogen-bonded Turntrans-62.4-28.1-177.500000114.1G87 Y99A85-G87 VanDerWaalsContact C-N 3.26Å; A85-Y99 HydrophobicContact CB-CE1 3.92Å
86D96.4Very high97.2Very high113 Ų11353.7 Ų53.760%0.60429%0.287SS*.THydrogen-bonded Turntrans-78.8-6.3176.465.6-16.1000113.5Q84 T88Q84-D86 WeakPolarHBondContact CB-OD1 3.17Å; Q84-D86 PolarHBondContact O-N 2.89Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 PolarHBondContact OD1-N 3.46Å; D86-T88 PolarHBondContact OD1-OG1 2.78Å; D86-T88 WeakPolarHBondContact OD2-CB 3.45Å; D86-T88 PolarHBondContact OD2-OG1 3.29Å
87G96.4Very high97.1Very high12 Ų1249 Ų4912%0.12427%0.271CS..SBendtrans90.92.8-174.400000114.2Q84 A85 T133Q84-G87 PolarHBondContact O-N 2.9Å; A85-G87 VanDerWaalsContact C-N 3.26Å; G87-T133 WeakPolarHBondContact O-CG2 3.14Å
88T97.7Very high97.1Very high61 Ų6150.3 Ų50.337%0.37428%0.282SS..  trans-68.6135176.5-630000110.7Q84 D86Q84-T88 PolarHBondContact N-O 2.98Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.31Å; D86-T88 PolarHBondContact OD1-N 3.46Å; D86-T88 PolarHBondContact OD1-OG1 2.78Å; D86-T88 WeakPolarHBondContact OD2-CB 3.45Å; D86-T88 PolarHBondContact OD2-OG1 3.29Å
89I98.2Very high97.1Very high14 Ų1453 Ų537%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-113.5119.1179-53.5157.7000108.4L81 L83 L123 L131 T133 I179L81-I89 HydrophobicContact CD1-CG2 4.07Å; L83-I89 HydrophobicContact CD1-CG1 4.15Å; I89-L123 HydrophobicContact CD1-CD2 3.51Å; I89-L123 HydrophobicContact CG1-CD2 3.69Å; I89-L123 HydrophobicContact CG2-CD2 4.23Å; I89-L131 HydrophobicContact CD1-CB 4.23Å; I89-T133 HydrophobicContact CD1-CG2 3.94Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; I89-I179 HydrophobicContact CG2-CD1 4.03Å; I89-I179 HydrophobicContact CG2-CG1 4.36Å; I89-I179 WeakPolarHBondContact O-CB 3.49Å; I89-I179 WeakPolarHBondContact O-CG2 3.27Å
90D98Very high97.1Very high44 Ų4451.4 Ų51.424%0.23528%0.278CS..EExtended strand (participates in β ladder)trans-153.5-172.9-178.763.1-14.1000111.4Q82 Q84 G177Q82-D90 PolarHBondContact N-O 3.33Å; Q82-D90 PolarHBondContact O-N 2.89Å; Q84-D90 PolarHBondContact NE2-OD1 3.47Å; Q84-D90 PolarHBondContact NE2-OD2 2.58Å; D90-G177 CarbonylContact C-O 3.48Å
91G98.2Very high97.1Very high11 Ų1152.7 Ų52.711%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-116.5127.2177.200000110.5Y79 H80 G177Y79-G91 WeakPolarHBondContact CD1-O 3.42Å; H80-G91 CarbonylContact O-C 3.54Å; H80-G91 WeakPolarHBondContact O-CA 3.47Å; G91-G177 VanDerWaalsContact CA-O 3.31Å; G91-G177 WeakPolarHBondContact CA-O 3.27Å; G91-G177 PolarHBondContact N-O 2.8Å
92T98.1Very high97.1Very high27 Ų2752.7 Ų52.717%0.16629%0.285CS..EExtended strand (participates in β ladder)trans-111.8155.3175.9-171.10000112.1Y79 H80 Q82 D94 T100Y79-T92 CarbonylContact C-O 3.54Å; Y79-T92 WeakPolarHBondContact CA-O 3.45Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.77Å; H80-T92 PolarHBondContact O-N 2.82Å; Q82-T92 HydrophobicContact CB-CG2 4.09Å; T92-D94 HydrophobicContact CG2-CB 4.4Å; T92-D94 WeakPolarHBondContact CG2-O 3.48Å; T92-D94 WeakPolarHBondContact OG1-CB 3.38Å; T92-D94 PolarHBondContact OG1-N 3.32Å; T92-T100 HydrophobicContact CG2-CG2 3.53Å
93K97.4Very high97.1Very high149 Ų14952.3 Ų52.365%0.64828%0.283SS*.SBendtrans-92.9-8.6167-66.3-179.1-178.9173.80112.5Y79 E95Y79-K93 HydrophobicContact CD1-CG 3.87Å; Y79-K93 HydrophobicContact CE1-CD 4.29Å; Y79-K93 HydrophobicContact CE1-CG 3.87Å; K93-E95 PolarHBondContact O-N 3.19Å
94D96.5Very high97.1Very high81 Ų8152.7 Ų52.743%0.43329%0.285SS..  trans-73.6104.5176.6-179.49.7000110T92 D96 S97T92-D94 HydrophobicContact CG2-CB 4.4Å; T92-D94 WeakPolarHBondContact CG2-O 3.48Å; T92-D94 WeakPolarHBondContact OG1-CB 3.38Å; T92-D94 PolarHBondContact OG1-N 3.32Å; D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 2.97Å; D94-D96 PolarHBondContact OD1-N 3.01Å; D94-S97 PolarHBondContact OD1-N 3.33Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-N 2.77Å
95E91.1Very high97Very high106 Ų10650.1 Ų50.150%0.49527%0.273SS..SBendtrans-70.7-23.7178.3-61.5-159.6150.700112.2K72 H80 K93 K197K72-E95 PolarHBondContact NZ-O 2.88Å; H80-E95 IonicContact NE2-OE1 3.62Å; K93-E95 PolarHBondContact O-N 3.19Å; E95-K197 IonicContact OE1-NZ 3.77Å
96D94.3Very high97Very high144 Ų14449 Ų4977%0.7726%0.26SS*.SBendtrans-91-8.5-174.9-67.6-38000113.3D94 T98D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 2.97Å; D94-D96 PolarHBondContact OD1-N 3.01Å; D96-T98 PolarHBondContact O-N 2.96Å
97S95.9Very high97Very high12 Ų1245 Ų458%0.08424%0.24CC..  trans-55.4121.2175.5172.90000111.8D94 Y99 T100D94-S97 PolarHBondContact OD1-N 3.33Å; D94-S97 WeakPolarHBondContact OD2-CB 3.41Å; D94-S97 PolarHBondContact OD2-N 2.77Å; S97-Y99 PolarHBondContact O-N 2.71Å; S97-Y99 PolarHBondContact OG-N 2.77Å; S97-T100 PolarHBondContact O-N 3.13Å; S97-T100 VanDerWaalsContact O-N 3.17Å; S97-T100 PolarHBondContact O-OG1 3.37Å
98T97.1Very high96.9Very high70 Ų7046.4 Ų46.443%0.42925%0.254SS..G310 helixtrans-66.8-20.3179.464.40000112.7D96 T100 L101 Q118D96-T98 PolarHBondContact O-N 2.96Å; T98-T100 PolarHBondContact O-N 3.01Å; T98-L101 PolarHBondContact O-N 2.85Å; T98-Q118 WeakPolarHBondContact O-CG 3.31Å
99Y98Very high96.8Very high83 Ų8351.4 Ų51.433%0.32528%0.278SS..G310 helixtrans-75.8-7.5177-63.4-70.6000113.7L83 A85 S97 L101 Q118 T119L83-Y99 PolarHBondContact N-O 2.81Å; L83-Y99 VanDerWaalsContact N-O 3.09Å; L83-Y99 WeakPolarHBondContact O-CB 3.4Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.41Å; A85-Y99 HydrophobicContact CB-CE1 3.92Å; S97-Y99 PolarHBondContact O-N 2.71Å; S97-Y99 PolarHBondContact OG-N 2.77Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-Q118 HydrophobicContact CD1-CB 3.93Å; Y99-Q118 HydrophobicContact CD1-CG 4.24Å; Y99-Q118 HydrophobicContact CE1-CB 3.98Å; Y99-Q118 HydrophobicContact CE1-CG 4.46Å; Y99-T119 HydrophobicContact CD1-CG2 4.37Å; Y99-T119 HydrophobicContact CE1-CG2 4.37Å
100T98.1Very high96.7Very high0 Ų057.5 Ų57.50%030%0.3CS..G310 helixtrans-84.6-4.2174.566.70000113.5K72 H80 L81 Q82 T92 S97 T98 F102K72-T100 WeakPolarHBondContact CE-OG1 3.44Å; H80-T100 HydrophobicContact CB-CG2 3.86Å; L81-T100 WeakPolarHBondContact O-CA 3.48Å; Q82-T100 HydrophobicContact CB-CG2 4.34Å; T92-T100 HydrophobicContact CG2-CG2 3.53Å; S97-T100 PolarHBondContact O-N 3.13Å; S97-T100 VanDerWaalsContact O-N 3.17Å; S97-T100 PolarHBondContact O-OG1 3.37Å; T98-T100 PolarHBondContact O-N 3.01Å; T100-F102 VanDerWaalsContact O-CD2 3.31Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å
101L98.1Very high96.7Very high32 Ų3256.1 Ų56.117%0.16829%0.293CS..  trans-87.4125.1-179.8-65.1174.1000111V70 K72 T98 Y99 V117 L199V70-L101 HydrophobicContact CG1-CD2 4.45Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; T98-L101 PolarHBondContact O-N 2.85Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; L101-V117 HydrophobicContact CB-CB 3.89Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.22Å; L101-V117 WeakPolarHBondContact O-CG2 3.38Å; L101-V117 PolarHBondContact O-N 2.98Å; L101-L199 HydrophobicContact CD2-CD2 4.16Å
102F98.5Very high96.7Very high0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-122.3143177.1-63.1-86.8000112.2V70 T71 L81 L83 T100 I114 Q115 L123V70-F102 CarbonylContact C-O 3.59Å; V70-F102 WeakPolarHBondContact CA-O 3.47Å; T71-F102 PolarHBondContact N-O 3.01Å; T71-F102 PolarHBondContact O-N 3.38Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD2-CE2 4.07Å; L81-F102 HydrophobicContact CD2-CZ 3.92Å; L81-F102 HydrophobicContact CG-CE2 4.07Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.28Å; L83-F102 HydrophobicContact CB-CE1 3.72Å; L83-F102 HydrophobicContact CB-CZ 3.91Å; L83-F102 HydrophobicContact CD2-CE1 4.29Å; T100-F102 VanDerWaalsContact O-CD2 3.31Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å; F102-I114 HydrophobicContact CB-CG2 4.11Å; F102-I114 HydrophobicContact CD1-CG2 3.67Å; F102-I114 HydrophobicContact CE1-CG2 4.37Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; F102-Q115 CarbonylContact C-O 3.55Å; F102-Q115 WeakPolarHBondContact CA-O 3.22Å; F102-L123 HydrophobicContact CE1-CD1 4.4Å
103N97.9Very high96.7Very high11 Ų1154.7 Ų54.76%0.05928%0.282CS..EExtended strand (participates in β ladder)trans-82.5117.2161.1-57.9-39.4000108I105 Q115 V117 Y204N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; N103-Q115 HydrophobicContact CB-CB 4.25Å; N103-Q115 PolarHBondContact N-O 3.48Å; N103-Q115 PolarHBondContact ND2-OE1 3.05Å; N103-Q115 PolarHBondContact O-N 3.18Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.4Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.19Å; N103-Y204 PolarHBondContact OD1-OH 3.45Å
104L97.7Very high96.8Very high11 Ų1147.6 Ų47.66%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-96.3101.3170.2-137.173.8000108.1G68 I69 T71 V112 I114 Y155G68-L104 VanDerWaalsContact CA-O 3.28Å; G68-L104 WeakPolarHBondContact CA-O 3.35Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.33Å; I69-L104 HydrophobicContact CG1-CB 3.71Å; I69-L104 HydrophobicContact CG1-CD2 4.49Å; I69-L104 PolarHBondContact N-O 3.43Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 3.19Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.36Å; T71-L104 HydrophobicContact CG2-CD2 4.44Å; L104-V112 HydrophobicContact CG-CB 4.29Å; L104-V112 HydrophobicContact CG-CG1 4.35Å; L104-V112 HydrophobicContact CG-CG2 4.43Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.41Å; L104-I114 HydrophobicContact CD1-CG1 3.84Å; L104-I114 HydrophobicContact CD1-CG2 4.24Å; L104-Y155 HydrophobicContact CD2-CE1 4.47Å
105I97Very high96.8Very high3 Ų344.7 Ų44.72%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-104117.4-171.6-52.5173.9000108.7L66 N103 V107 V112 A113 Y204 P207L66-I105 HydrophobicContact CB-CG2 4.38Å; L66-I105 HydrophobicContact CD1-CG2 3.79Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; I105-V107 HydrophobicContact CG2-CG1 4.34Å; I105-V107 PolarHBondContact O-N 3.4Å; I105-V112 CarbonylContact O-C 3.55Å; I105-V112 VanDerWaalsContact O-CA 3.27Å; I105-V112 WeakPolarHBondContact O-CA 3.37Å; I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.91Å; I105-A113 PolarHBondContact O-N 3.41Å; I105-Y204 HydrophobicContact CD1-CD1 4.11Å; I105-Y204 HydrophobicContact CD1-CG 4.15Å; I105-Y204 HydrophobicContact CG1-CD1 4.19Å; I105-Y204 HydrophobicContact CG1-CD2 3.95Å; I105-Y204 HydrophobicContact CG1-CE1 4.47Å; I105-Y204 HydrophobicContact CG1-CE2 4.22Å; I105-Y204 HydrophobicContact CG1-CG 3.92Å; I105-Y204 HydrophobicContact CG2-CD2 4.44Å; I105-Y204 HydrophobicContact CG2-CG 4.42Å; I105-P207 HydrophobicContact CD1-CG 4.45Å; I105-P207 HydrophobicContact CG2-CG 4.44Å
106P96.9Very high97.2Very high45 Ų4539.7 Ų39.729%0.29221%0.212SC..EExtended strand (participates in β ladder)trans-75.5110.9179.829.4-33.2000110.5L66 K67L66-P106 HydrophobicContact CB-CG 4.41Å; L66-P106 WeakPolarHBondContact CD1-O 3.24Å; K67-P106 WeakPolarHBondContact O-CG 3.47Å
107V95.8Very high97.3Very high29 Ų2934.2 Ų34.218%0.17618%0.184CC..EExtended strand (participates in β ladder)trans-104.45.4-178.9-61.80000112.7I105 V111 A113 F137 K142I105-V107 HydrophobicContact CG2-CG1 4.34Å; I105-V107 PolarHBondContact O-N 3.4Å; V107-V111 HydrophobicContact CG2-CB 4.19Å; V107-V111 HydrophobicContact CG2-CG1 3.69Å; V107-V111 PolarHBondContact N-O 2.78Å; V107-A113 HydrophobicContact CG1-CB 3.97Å; V107-F137 HydrophobicContact CB-CZ 4.11Å; V107-F137 HydrophobicContact CG1-CE1 4.4Å; V107-F137 HydrophobicContact CG1-CE2 4.32Å; V107-F137 HydrophobicContact CG1-CZ 3.77Å; V107-F137 HydrophobicContact CG2-CZ 4.13Å; V107-K142 HydrophobicContact CG2-CG 4.25Å
108G94.8Very high97.4Very high41 Ų4138.3 Ų38.342%0.42320%0.201SC..EExtended strand (participates in β ladder)trans176.3-179.9177.200000112.1R110 V111G108-R110 PolarHBondContact O-N 3.19Å; G108-V111 PolarHBondContact N-O 2.86Å; G108-V111 PolarHBondContact O-N 3.39Å; G108-V111 VanDerWaalsContact O-N 3.15Å
109L95.3Very high97.4Very high166 Ų16636.5 Ų36.587%0.86919%0.19SC*.THydrogen-bonded Turntrans-64.8108.7176.6179.764.8000110V111L109-V111 PolarHBondContact O-N 3.18Å
110R96.2Very high97.3Very high143 Ų14338 Ų3854%0.5420%0.199SC..THydrogen-bonded Turntrans59.529.4-175-54.6-61.1-157.7171.94.4113.2G108 K144 E145G108-R110 PolarHBondContact O-N 3.19Å; R110-K144 WeakPolarHBondContact O-CA 3.35Å; R110-E145 HydrophobicContact CB-CG 4.08Å; R110-E145 WeakPolarHBondContact CD-OE1 3.5Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 2.74Å; R110-E145 VanDerWaalsContact O-CG 3.31Å; R110-E145 WeakPolarHBondContact O-CG 3.43Å; R110-E145 PolarHBondContact O-N 3.37Å
111V98Very high97.3Very high15 Ų1539.8 Ų39.89%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-123.9127.1175.5-170.70000108.5V107 G108 L109 K142 F143 M158V107-V111 HydrophobicContact CG2-CB 4.19Å; V107-V111 HydrophobicContact CG2-CG1 3.69Å; V107-V111 PolarHBondContact N-O 2.78Å; G108-V111 PolarHBondContact N-O 2.86Å; G108-V111 PolarHBondContact O-N 3.39Å; G108-V111 VanDerWaalsContact O-N 3.15Å; L109-V111 PolarHBondContact O-N 3.18Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.47Å; V111-F143 CarbonylContact C-O 3.54Å; V111-F143 WeakPolarHBondContact CA-O 3.28Å; V111-M158 HydrophobicContact CG1-CG 3.78Å; V111-M158 HydrophobicContact CG1-SD 4.12Å; V111-M158 HydrophobicContact CG2-CE 3.9Å; V111-M158 HydrophobicContact CG2-CG 4.42Å; V111-M158 HydrophobicContact CG2-SD 3.65Å
112V98.1Very high97.3Very high7 Ų739.4 Ų39.44%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-123.3148.2-178.3-62.10000110.7L104 I105 I114 F143 E145 Y155L104-V112 HydrophobicContact CG-CB 4.29Å; L104-V112 HydrophobicContact CG-CG1 4.35Å; L104-V112 HydrophobicContact CG-CG2 4.43Å; I105-V112 CarbonylContact O-C 3.55Å; I105-V112 VanDerWaalsContact O-CA 3.27Å; I105-V112 WeakPolarHBondContact O-CA 3.37Å; V112-I114 HydrophobicContact CG2-CG1 4.24Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 2.92Å; V112-F143 PolarHBondContact O-N 2.85Å; V112-E145 HydrophobicContact CG1-CG 4.22Å; V112-Y155 HydrophobicContact CG2-CD1 3.85Å; V112-Y155 HydrophobicContact CG2-CE1 3.81Å
113A98.1Very high97.3Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-95.9139.2157.800000108.1I105 V107 Y122 F137I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.91Å; I105-A113 PolarHBondContact O-N 3.41Å; V107-A113 HydrophobicContact CG1-CB 3.97Å; A113-Y122 HydrophobicContact CB-CD1 4.17Å; A113-Y122 HydrophobicContact CB-CE1 4.24Å; A113-F137 HydrophobicContact CB-CD2 4.14Å; A113-F137 HydrophobicContact CB-CE2 3.59Å; A113-F137 HydrophobicContact CB-CZ 4.41Å
114I98.4Very high97.3Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-112.9116178.6-49.9179.7000106.9L73 F102 L104 V112 Y122 L123 F143 Y155 L171L73-I114 HydrophobicContact CD1-CD1 4.44Å; L73-I114 HydrophobicContact CD1-CG2 4.26Å; F102-I114 HydrophobicContact CB-CG2 4.11Å; F102-I114 HydrophobicContact CD1-CG2 3.67Å; F102-I114 HydrophobicContact CE1-CG2 4.37Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.41Å; L104-I114 HydrophobicContact CD1-CG1 3.84Å; L104-I114 HydrophobicContact CD1-CG2 4.24Å; V112-I114 HydrophobicContact CG2-CG1 4.24Å; I114-Y122 CarbonylContact O-C 3.49Å; I114-Y122 WeakPolarHBondContact O-CA 3.49Å; I114-L123 HydrophobicContact CB-CB 4.33Å; I114-L123 HydrophobicContact CB-CD1 4.12Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CD1-CD1 4.5Å; I114-L123 HydrophobicContact CG2-CD1 3.74Å; I114-L123 HydrophobicContact CG2-CG 4.21Å; I114-L123 PolarHBondContact O-N 2.92Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.4Å; I114-F143 HydrophobicContact CG1-CD2 4.17Å; I114-Y155 HydrophobicContact CD1-CD1 4.12Å; I114-Y155 HydrophobicContact CD1-CD2 4.4Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.08Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å
115Q98.2Very high97.4Very high21 Ų2138.4 Ų38.410%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-124.9133.1-176.6-172.8-167.141.400110.7F102 N103 V117 K120 L121 Y122F102-Q115 CarbonylContact C-O 3.55Å; F102-Q115 WeakPolarHBondContact CA-O 3.22Å; N103-Q115 HydrophobicContact CB-CB 4.25Å; N103-Q115 PolarHBondContact N-O 3.48Å; N103-Q115 PolarHBondContact ND2-OE1 3.05Å; N103-Q115 PolarHBondContact O-N 3.18Å; Q115-V117 PolarHBondContact O-N 2.84Å; Q115-K120 WeakPolarHBondContact CG-O 3.31Å; Q115-K120 PolarHBondContact NE2-O 2.81Å; Q115-L121 CarbonylContact C-O 3.55Å; Q115-L121 VanDerWaalsContact CA-O 3.31Å; Q115-L121 WeakPolarHBondContact CA-O 3.38Å; Q115-L121 WeakPolarHBondContact CG-O 3.14Å; Q115-Y122 HydrophobicContact CB-CD1 3.78Å; Q115-Y122 HydrophobicContact CB-CE1 3.84Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 4Å; Q115-Y122 HydrophobicContact CG-CG 4.46Å
116G98.2Very high97.4Very high1 Ų140 Ų401%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-64.4130.4172.500000111.2Q118 K120 L121G116-Q118 VanDerWaalsContact C-N 3.34Å; G116-Q118 PolarHBondContact O-N 2.9Å; G116-K120 VanDerWaalsContact O-CA 3.28Å; G116-K120 WeakPolarHBondContact O-CA 3.4Å; G116-K120 PolarHBondContact O-N 2.79Å; G116-L121 PolarHBondContact N-O 2.85Å
117V97.5Very high97.4Very high29 Ų2941.3 Ų41.318%0.17622%0.218CC..THydrogen-bonded Turntrans-65.5-41-179.4172.40000111.1V70 L101 N103 Q115 K120V70-V117 HydrophobicContact CG1-CG2 4.14Å; L101-V117 HydrophobicContact CB-CB 3.89Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.22Å; L101-V117 WeakPolarHBondContact O-CG2 3.38Å; L101-V117 PolarHBondContact O-N 2.98Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.4Å; Q115-V117 PolarHBondContact O-N 2.84Å; V117-K120 WeakPolarHBondContact O-CD 3.37Å; V117-K120 VanDerWaalsContact O-CE 3.27Å; V117-K120 WeakPolarHBondContact O-CE 3.5Å; V117-K120 PolarHBondContact O-NZ 3.04Å
118Q97Very high97.5Very high98 Ų9845.4 Ų45.446%0.45824%0.235SC..THydrogen-bonded Turntrans-75.9-50.3-178.1-63-58.1-24.900111.9T98 Y99 G116T98-Q118 WeakPolarHBondContact O-CG 3.31Å; Y99-Q118 HydrophobicContact CD1-CB 3.93Å; Y99-Q118 HydrophobicContact CD1-CG 4.24Å; Y99-Q118 HydrophobicContact CE1-CB 3.98Å; Y99-Q118 HydrophobicContact CE1-CG 4.46Å; G116-Q118 VanDerWaalsContact C-N 3.34Å; G116-Q118 PolarHBondContact O-N 2.9Å
119T96.8Very high97.6Very high31 Ų3143.4 Ų43.419%0.1922%0.215CC..THydrogen-bonded Turntrans-83.7-19.9-172.9590000114.2L83 Q84 Y99 L121L83-T119 HydrophobicContact CG-CG2 4.47Å; Q84-T119 WeakPolarHBondContact O-CG2 3.32Å; Y99-T119 HydrophobicContact CD1-CG2 4.37Å; Y99-T119 HydrophobicContact CE1-CG2 4.37Å; T119-L121 PolarHBondContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.38Å
120K97.2Very high97.7Very high116 Ų11640.9 Ų40.950%0.50419%0.194SC..  trans59.96.3-170.5-51.9-54.4-175.8-163.80115Q115 G116 V117Q115-K120 WeakPolarHBondContact CG-O 3.31Å; Q115-K120 PolarHBondContact NE2-O 2.81Å; G116-K120 VanDerWaalsContact O-CA 3.28Å; G116-K120 WeakPolarHBondContact O-CA 3.4Å; G116-K120 PolarHBondContact O-N 2.79Å; V117-K120 WeakPolarHBondContact O-CD 3.37Å; V117-K120 VanDerWaalsContact O-CE 3.27Å; V117-K120 WeakPolarHBondContact O-CE 3.5Å; V117-K120 PolarHBondContact O-NZ 3.04Å
121L98.1Very high97.8Very high36 Ų3635.2 Ų35.219%0.18817%0.174CC..PPolyproline II helixtrans-76.2141.5175.2-61.6173.3000110.3L83 Q115 G116 T119 T133 E135L83-L121 HydrophobicContact CD2-CB 4.15Å; Q115-L121 CarbonylContact C-O 3.55Å; Q115-L121 VanDerWaalsContact CA-O 3.31Å; Q115-L121 WeakPolarHBondContact CA-O 3.38Å; Q115-L121 WeakPolarHBondContact CG-O 3.14Å; G116-L121 PolarHBondContact N-O 2.85Å; T119-L121 PolarHBondContact O-N 3.13Å; T119-L121 PolarHBondContact OG1-N 3.38Å; L121-T133 HydrophobicContact CB-CG2 4.47Å; L121-T133 HydrophobicContact CD1-CG2 4.35Å; L121-E135 HydrophobicContact CD2-CB 4.18Å
122Y98.3Very high97.8Very high25 Ų2537.9 Ų37.910%0.09818%0.184CC..EExtended strand (participates in β ladder)trans-86.3141.3171.3-64.1-83000110.1A113 I114 Q115 T133 S134 F137A113-Y122 HydrophobicContact CB-CD1 4.17Å; A113-Y122 HydrophobicContact CB-CE1 4.24Å; I114-Y122 CarbonylContact O-C 3.49Å; I114-Y122 WeakPolarHBondContact O-CA 3.49Å; Q115-Y122 HydrophobicContact CB-CD1 3.78Å; Q115-Y122 HydrophobicContact CB-CE1 3.84Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 4Å; Q115-Y122 HydrophobicContact CG-CG 4.46Å; Y122-T133 CarbonylContact O-C 3.57Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.33Å; Y122-S134 PolarHBondContact N-O 3.01Å; Y122-S134 PolarHBondContact O-N 2.95Å; Y122-F137 HydrophobicContact CD1-CD2 4.25Å; Y122-F137 HydrophobicContact CD2-CB 4.44Å; Y122-F137 HydrophobicContact CE1-CD2 4.25Å; Y122-F137 HydrophobicContact CE2-CB 4.09Å
123L98.3Very high97.8Very high0 Ų039.3 Ų39.30%019%0.192CC..EExtended strand (participates in β ladder)trans-69.7139.1161-61.2-175.9000108.7L81 L83 I89 F102 I114 C141 F143L81-L123 HydrophobicContact CD2-CD1 3.97Å; L83-L123 HydrophobicContact CD2-CD2 4.17Å; I89-L123 HydrophobicContact CD1-CD2 3.51Å; I89-L123 HydrophobicContact CG1-CD2 3.69Å; I89-L123 HydrophobicContact CG2-CD2 4.23Å; F102-L123 HydrophobicContact CE1-CD1 4.4Å; I114-L123 HydrophobicContact CB-CB 4.33Å; I114-L123 HydrophobicContact CB-CD1 4.12Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CD1-CD1 4.5Å; I114-L123 HydrophobicContact CG2-CD1 3.74Å; I114-L123 HydrophobicContact CG2-CG 4.21Å; I114-L123 PolarHBondContact O-N 2.92Å; L123-C141 WeakPolarHBondContact O-CA 3.36Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.29Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å
124A98.3Very high97.8Very high1 Ų139.9 Ų39.91%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-140.8158.1176.200000109.9L131 Y132 E140A124-L131 VanDerWaalsContact O-CA 3.31Å; A124-L131 WeakPolarHBondContact O-CA 3.38Å; A124-Y132 HydrophobicContact CB-CD1 3.95Å; A124-Y132 HydrophobicContact CB-CD2 4.46Å; A124-Y132 HydrophobicContact CB-CE1 3.34Å; A124-Y132 HydrophobicContact CB-CE2 3.94Å; A124-Y132 HydrophobicContact CB-CG 4.45Å; A124-Y132 WeakPolarHBondContact CB-OH 3.32Å; A124-Y132 PolarHBondContact N-O 3.45Å; A124-Y132 PolarHBondContact O-N 3.03Å; A124-E140 WeakPolarHBondContact CA-O 3.49Å; A124-E140 HydrophobicContact CB-CB 4.1Å
125M98.5Very high97.7Very high0 Ų046.9 Ų46.90%023%0.229CC..EExtended strand (participates in β ladder)trans-130121.1176-177.3-177.1-68.400109.2Y130 L131 E140 F143 Y160 W169M125-Y130 WeakPolarHBondContact CA-O 3.4Å; M125-L131 HydrophobicContact CE-CD1 3.76Å; M125-L131 HydrophobicContact CE-CD2 4.38Å; M125-L131 HydrophobicContact CE-CG 3.96Å; M125-E140 PolarHBondContact N-O 3.29Å; M125-F143 HydrophobicContact CB-CE1 4.34Å; M125-F143 HydrophobicContact CB-CZ 4.47Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; M125-Y160 WeakPolarHBondContact O-CD2 3.37Å; M125-Y160 WeakPolarHBondContact O-CE2 3.21Å; M125-W169 HydrophobicContact SD-CB 3.72Å; M125-W169 HydrophobicContact SD-CE3 4.22Å
126N97.4Very high97.6Very high37 Ų3748.9 Ų48.920%0.19824%0.238CC..  trans-80.4174.8-177.174.85.9000112.7E128 G129 Y130 Y132 E140 Y160N126-E128 PolarHBondContact O-N 3.19Å; N126-E128 WeakPolarHBondContact OD1-CB 3.33Å; N126-E128 PolarHBondContact OD1-N 3.37Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; N126-G129 PolarHBondContact O-N 3.19Å; N126-G129 PolarHBondContact OD1-N 3.44Å; N126-Y130 PolarHBondContact N-O 3.42Å; N126-Y130 PolarHBondContact OD1-N 2.94Å; N126-Y130 PolarHBondContact OD1-O 2.94Å; N126-Y132 HydrophobicContact CB-CD1 4.17Å; N126-Y132 HydrophobicContact CB-CE1 3.98Å; N126-E140 WeakPolarHBondContact CA-OE2 3.31Å; N126-Y160 VanDerWaalsContact C-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CE2 3.31Å
127S97Very high97.5Very high72 Ų7249.3 Ų49.350%0.50324%0.24SC..THydrogen-bonded Turntrans-63.3-19.4-178.961.30000114.7Y160 W169S127-Y160 VanDerWaalsContact CA-CZ 3.41Å; S127-W169 WeakPolarHBondContact O-CH2 3.39Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.24Å
128E97.1Very high97.4Very high114 Ų11448 Ų4853%0.53323%0.232SC..THydrogen-bonded Turntrans-86-17174.6-60.7-178.7174.500111.9N126 Y130 K181N126-E128 PolarHBondContact O-N 3.19Å; N126-E128 WeakPolarHBondContact OD1-CB 3.33Å; N126-E128 PolarHBondContact OD1-N 3.37Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.97Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.43Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.39Å; E128-K181 WeakPolarHBondContact O-CE 3.47Å; E128-K181 PolarHBondContact O-NZ 3.2Å
129G97.2Very high97.4Very high0 Ų044.8 Ų44.80%022%0.219CC..SBendtrans95.78.1-179.900000113.5N126 W169 K181 G182N126-G129 PolarHBondContact O-N 3.19Å; N126-G129 PolarHBondContact OD1-N 3.44Å; G129-W169 VanDerWaalsContact CA-CE3 3.47Å; G129-W169 VanDerWaalsContact N-CZ3 3.25Å; G129-K181 CarbonylContact O-C 3.45Å; G129-K181 WeakPolarHBondContact O-CG 3.48Å; G129-G182 PolarHBondContact O-N 3.27Å
130Y98.2Very high97.5Very high113 Ų11344.2 Ų44.244%0.44321%0.214SC..  trans-75.2138.5170.6-64.8-71.1000110M125 N126 E128 K181M125-Y130 WeakPolarHBondContact CA-O 3.4Å; N126-Y130 PolarHBondContact N-O 3.42Å; N126-Y130 PolarHBondContact OD1-N 2.94Å; N126-Y130 PolarHBondContact OD1-O 2.94Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.97Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.43Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.39Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.09Å; Y130-K181 HydrophobicContact CE1-CD 3.86Å; Y130-K181 HydrophobicContact CE1-CG 4.05Å; Y130-K181 PolarHBondContact OH-NZ 3.29Å
131L98.2Very high97.5Very high23 Ų2338.7 Ų38.712%0.1219%0.19CC..EExtended strand (participates in β ladder)trans-85.5139.2169-71.191.3000109.1I89 A124 M125 L171 I179 M180I89-L131 HydrophobicContact CD1-CB 4.23Å; A124-L131 VanDerWaalsContact O-CA 3.31Å; A124-L131 WeakPolarHBondContact O-CA 3.38Å; M125-L131 HydrophobicContact CE-CD1 3.76Å; M125-L131 HydrophobicContact CE-CD2 4.38Å; M125-L131 HydrophobicContact CE-CG 3.96Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.24Å; L131-L171 HydrophobicContact CD2-CG 4.27Å; L131-I179 HydrophobicContact CB-CD1 4.4Å; L131-I179 HydrophobicContact CB-CG1 4.04Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.05Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; L131-I179 HydrophobicContact CD2-CG1 4.36Å; L131-I179 HydrophobicContact CG-CD1 4.36Å; L131-I179 HydrophobicContact CG-CG1 4.38Å; L131-M180 VanDerWaalsContact CD1-O 3.24Å; L131-M180 WeakPolarHBondContact CD1-O 3.32Å
132Y97.9Very high97.5Very high72 Ų7239.6 Ų39.628%0.28219%0.193SC..EExtended strand (participates in β ladder)trans-148.5172.5179.675.5-78.7000109.3A124 N126 E140A124-Y132 HydrophobicContact CB-CD1 3.95Å; A124-Y132 HydrophobicContact CB-CD2 4.46Å; A124-Y132 HydrophobicContact CB-CE1 3.34Å; A124-Y132 HydrophobicContact CB-CE2 3.94Å; A124-Y132 HydrophobicContact CB-CG 4.45Å; A124-Y132 WeakPolarHBondContact CB-OH 3.32Å; A124-Y132 PolarHBondContact N-O 3.45Å; A124-Y132 PolarHBondContact O-N 3.03Å; N126-Y132 HydrophobicContact CB-CD1 4.17Å; N126-Y132 HydrophobicContact CB-CE1 3.98Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.33Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 2.99Å
133T98.1Very high97.5Very high37 Ų3738.4 Ų38.423%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-104.3136.3178.454.30000111.2L83 G87 I89 L121 Y122L83-T133 HydrophobicContact CD1-CG2 3.33Å; L83-T133 HydrophobicContact CD2-CG2 4.31Å; L83-T133 HydrophobicContact CG-CG2 4.48Å; G87-T133 WeakPolarHBondContact O-CG2 3.14Å; I89-T133 HydrophobicContact CD1-CG2 3.94Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; L121-T133 HydrophobicContact CB-CG2 4.47Å; L121-T133 HydrophobicContact CD1-CG2 4.35Å; Y122-T133 CarbonylContact O-C 3.57Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.33Å
134S97.2Very high97.5Very high11 Ų1142.5 Ų42.58%0.07721%0.206CC..EExtended strand (participates in β ladder)trans-122.7133.3177.8-175.80000110.4Y122 H136Y122-S134 PolarHBondContact N-O 3.01Å; Y122-S134 PolarHBondContact O-N 2.95Å; S134-H136 WeakPolarHBondContact CB-O 3.5Å; S134-H136 PolarHBondContact OG-N 3.49Å; S134-H136 PolarHBondContact OG-O 3.39Å
135E96.2Very high97.5Very high147 Ų14744.5 Ų44.569%0.68722%0.215SC*.SBendtrans-68.7-40.4171-176177.1176.500111L121L121-E135 HydrophobicContact CD2-CB 4.18Å
136H96.1Very high97.4Very high64 Ų6446.1 Ų46.130%0.29623%0.226SC..SBendtrans-92.6146.4-178.6-62.2-89000111.5S134 T138 H210 F215S134-H136 WeakPolarHBondContact CB-O 3.5Å; S134-H136 PolarHBondContact OG-N 3.49Å; S134-H136 PolarHBondContact OG-O 3.39Å; H136-T138 PolarHBondContact O-N 2.99Å; H136-H210 HydrophobicContact CB-CB 4.26Å; H136-H210 AromaticContact CE1-NE2 3.97Å; H136-H210 AromaticContact ND1-CD2 3.56Å; H136-H210 AromaticContact ND1-CE1 3.57Å; H136-H210 AromaticContact ND1-CG 3.97Å; H136-H210 AromaticContact ND1-ND1 3.98Å; H136-H210 AromaticContact ND1-NE2 3.26Å; H136-H210 PolarHBondContact ND1-NE2 3.14Å; H136-F215 HydrophobicContact CB-CE1 4.15Å; H136-F215 HydrophobicContact CB-CE2 4.48Å; H136-F215 HydrophobicContact CB-CZ 3.51Å; H136-F215 AromaticContact CD2-CE1 3.38Å; H136-F215 WeakPolarHBondContact CD2-CE1 3.47Å; H136-F215 AromaticContact CD2-CZ 3.65Å; H136-F215 AromaticContact CG-CE1 3.9Å; H136-F215 AromaticContact CG-CZ 3.64Å
137F96.3Very high97.4Very high10 Ų1048 Ų484%0.04424%0.239CC..BIsolated β-bridgetrans-78.8108.3173.4-179.2-115.1000110.4V107 A113 Y122 C141 K142 P207 L209 H210V107-F137 HydrophobicContact CB-CZ 4.11Å; V107-F137 HydrophobicContact CG1-CE1 4.4Å; V107-F137 HydrophobicContact CG1-CE2 4.32Å; V107-F137 HydrophobicContact CG1-CZ 3.77Å; V107-F137 HydrophobicContact CG2-CZ 4.13Å; A113-F137 HydrophobicContact CB-CD2 4.14Å; A113-F137 HydrophobicContact CB-CE2 3.59Å; A113-F137 HydrophobicContact CB-CZ 4.41Å; Y122-F137 HydrophobicContact CD1-CD2 4.25Å; Y122-F137 HydrophobicContact CD2-CB 4.44Å; Y122-F137 HydrophobicContact CE1-CD2 4.25Å; Y122-F137 HydrophobicContact CE2-CB 4.09Å; F137-C141 HydrophobicContact CD2-CB 3.57Å; F137-C141 HydrophobicContact CE2-CB 3.73Å; F137-K142 HydrophobicContact CE2-CG 4.12Å; F137-K142 HydrophobicContact CZ-CD 4.32Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; F137-P207 HydrophobicContact CB-CB 3.7Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.27Å; F137-P207 HydrophobicContact CE1-CB 4.24Å; F137-P207 HydrophobicContact CG-CB 3.59Å; F137-P207 HydrophobicContact CG-CG 4.47Å; F137-L209 HydrophobicContact CD1-CB 4.4Å; F137-L209 HydrophobicContact CD1-CD1 3.96Å; F137-L209 HydrophobicContact CE1-CD1 3.89Å; F137-L209 CarbonylContact O-C 3.59Å; F137-L209 WeakPolarHBondContact O-CA 3.31Å; F137-H210 PolarHBondContact O-N 3.38Å
138T96.6Very high97.4Very high1 Ų146 Ų461%0.00622%0.221CC..  trans-112.5170.3179.4670000111H136 E140 C141 L212 F215H136-T138 PolarHBondContact O-N 2.99Å; T138-E140 PolarHBondContact O-N 2.88Å; T138-E140 PolarHBondContact OG1-N 3.32Å; T138-C141 PolarHBondContact N-SG 2.72Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.31Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 3.29Å; T138-C141 PolarHBondContact OG1-SG 3.16Å; T138-C141 VanDerWaalsContact OG1-SG 3.39Å; T138-L212 HydrophobicContact CG2-CD2 4.06Å; T138-F215 HydrophobicContact CG2-CD2 4.37Å; T138-F215 HydrophobicContact CG2-CE2 3.56Å; T138-F215 HydrophobicContact CG2-CZ 4.15Å
139P96.8Very high97.2Very high31 Ų3146.9 Ų46.920%0.20123%0.225CC..G310 helixtrans-55.6-28.4170.8-27.635.8000114.3C141 K142 L209 H210P139-C141 PolarHBondContact O-N 3.39Å; P139-K142 WeakPolarHBondContact O-CB 3.38Å; P139-K142 PolarHBondContact O-N 3.23Å; P139-L209 HydrophobicContact CG-CD1 4.14Å; P139-H210 WeakPolarHBondContact CD-O 3.31Å
140E97.9Very high96.9Very high18 Ų1854.6 Ų54.68%0.08427%0.267CS..G310 helixtrans-68.6-20.1176.1-70.4-171.2173.900113.1A124 M125 N126 Y132 T138 K142 I159 Y160 L212A124-E140 WeakPolarHBondContact CA-O 3.49Å; A124-E140 HydrophobicContact CB-CB 4.1Å; M125-E140 PolarHBondContact N-O 3.29Å; N126-E140 WeakPolarHBondContact CA-OE2 3.31Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.33Å; Y132-E140 VanDerWaalsContact CZ-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 2.99Å; T138-E140 PolarHBondContact O-N 2.88Å; T138-E140 PolarHBondContact OG1-N 3.32Å; E140-K142 VanDerWaalsContact C-N 3.25Å; E140-K142 PolarHBondContact O-N 2.76Å; E140-I159 HydrophobicContact CG-CD1 3.81Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 PolarHBondContact OE1-OH 2.98Å; E140-L212 HydrophobicContact CB-CD2 4.5Å; E140-L212 HydrophobicContact CG-CD1 4.11Å; E140-L212 HydrophobicContact CG-CD2 3.92Å
141C98.1Very high96.7Very high0 Ų055.7 Ų55.70%027%0.271CS..G310 helixtrans-80.7-3.3177-57.40000113.4L123 F137 T138 P139 F143L123-C141 WeakPolarHBondContact O-CA 3.36Å; F137-C141 HydrophobicContact CD2-CB 3.57Å; F137-C141 HydrophobicContact CE2-CB 3.73Å; T138-C141 PolarHBondContact N-SG 2.72Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.31Å; T138-C141 WeakPolarHBondContact O-CB 3.47Å; T138-C141 PolarHBondContact O-N 3.29Å; T138-C141 PolarHBondContact OG1-SG 3.16Å; T138-C141 VanDerWaalsContact OG1-SG 3.39Å; P139-C141 PolarHBondContact O-N 3.39Å; C141-F143 WeakPolarHBondContact O-CD2 3.48Å
142K98.2Very high96.6Very high55 Ų5556.5 Ų56.524%0.23927%0.273CS..  trans-92.1114.9-176.2-64.2-176.1179.6177.60110.7V107 V111 F137 P139 E140 M158V107-K142 HydrophobicContact CG2-CG 4.25Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.47Å; F137-K142 HydrophobicContact CE2-CG 4.12Å; F137-K142 HydrophobicContact CZ-CD 4.32Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; P139-K142 WeakPolarHBondContact O-CB 3.38Å; P139-K142 PolarHBondContact O-N 3.23Å; E140-K142 VanDerWaalsContact C-N 3.25Å; E140-K142 PolarHBondContact O-N 2.76Å; K142-M158 HydrophobicContact CB-CB 4.05Å; K142-M158 HydrophobicContact CB-CG 3.78Å; K142-M158 WeakPolarHBondContact O-CB 3.28Å; K142-M158 VanDerWaalsContact O-CG 3.27Å; K142-M158 WeakPolarHBondContact O-CG 3.5Å; K142-M158 PolarHBondContact O-N 3.48Å; K142-M158 VanDerWaalsContact O-N 3.13Å
143F98.6Very high96.6Very high0 Ų054.3 Ų54.30%027%0.267CS..EExtended strand (participates in β ladder)trans-107.9129174.9-64.2-87.4000111.2V111 V112 I114 L123 M125 C141 E145 Y155 S156V111-F143 CarbonylContact C-O 3.54Å; V111-F143 WeakPolarHBondContact CA-O 3.28Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 2.92Å; V112-F143 PolarHBondContact O-N 2.85Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.4Å; I114-F143 HydrophobicContact CG1-CD2 4.17Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.29Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å; M125-F143 HydrophobicContact CB-CE1 4.34Å; M125-F143 HydrophobicContact CB-CZ 4.47Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; C141-F143 WeakPolarHBondContact O-CD2 3.48Å; F143-E145 PolarHBondContact O-N 2.98Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; F143-S156 CarbonylContact C-O 3.57Å; F143-S156 VanDerWaalsContact CA-O 3.3Å; F143-S156 WeakPolarHBondContact CA-O 3.2Å
144K98.3Very high96.7Very high86 Ų8652.5 Ų52.537%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-74.6116.6166.2-176.3177.1-179.9175.70108.8R110 Y155 S156 M158R110-K144 WeakPolarHBondContact O-CA 3.35Å; K144-Y155 WeakPolarHBondContact O-CA 3.47Å; K144-S156 PolarHBondContact N-O 2.85Å; K144-S156 PolarHBondContact O-N 2.86Å; K144-M158 HydrophobicContact CB-CG 4.46Å; K144-M158 HydrophobicContact CB-SD 3.73Å; K144-M158 HydrophobicContact CG-SD 4.47Å
145E97.3Very high96.7Very high44 Ų4452 Ų5221%0.20625%0.252CS..EExtended strand (participates in β ladder)trans-80.8139.9169.954.4163.6-148.700110.2R110 V112 F143 V153 T154 Y155R110-E145 HydrophobicContact CB-CG 4.08Å; R110-E145 WeakPolarHBondContact CD-OE1 3.5Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 2.74Å; R110-E145 VanDerWaalsContact O-CG 3.31Å; R110-E145 WeakPolarHBondContact O-CG 3.43Å; R110-E145 PolarHBondContact O-N 3.37Å; V112-E145 HydrophobicContact CG1-CG 4.22Å; F143-E145 PolarHBondContact O-N 2.98Å; E145-V153 HydrophobicContact CB-CG1 4.23Å; E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.09Å; E145-Y155 HydrophobicContact CB-CD1 4.03Å; E145-Y155 HydrophobicContact CB-CE1 3.91Å
146S97.3Very high96.8Very high33 Ų3345.2 Ų45.223%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-150.5134.5177.3-71.80000110.5T154S146-T154 PolarHBondContact N-O 2.87Å; S146-T154 PolarHBondContact O-N 3.23Å; S146-T154 PolarHBondContact O-OG1 3.5Å
147V96.9Very high96.9Very high76 Ų7642.2 Ų42.246%0.46121%0.207SC..EExtended strand (participates in β ladder)trans-74.6143.8176.5-153.50000109.6Y152V147-Y152 CarbonylContact C-O 3.56Å; V147-Y152 VanDerWaalsContact CA-O 3.31Å; V147-Y152 WeakPolarHBondContact CA-O 2.73Å; V147-Y152 WeakPolarHBondContact CG1-O 3.21Å
148F96Very high97Very high30 Ų3045 Ų4513%0.13222%0.221CC..EExtended strand (participates in β ladder)trans-127.3128.7174.8-176.6-93.5000109N150 Y151 Y152 T154 K187 N188 H193F148-N150 PolarHBondContact O-N 2.87Å; F148-Y151 PolarHBondContact O-N 3.26Å; F148-Y151 VanDerWaalsContact O-N 3.15Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.03Å; F148-Y152 PolarHBondContact O-N 3.22Å; F148-T154 HydrophobicContact CB-CG2 4Å; F148-K187 HydrophobicContact CD2-CD 4.36Å; F148-K187 HydrophobicContact CD2-CG 4.13Å; F148-N188 HydrophobicContact CE2-CB 4.08Å; F148-N188 HydrophobicContact CZ-CB 4.03Å; F148-H193 AromaticContact CD1-CE1 3.21Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.32Å; F148-H193 AromaticContact CD1-ND1 3.9Å; F148-H193 AromaticContact CD1-NE2 3.39Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.19Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F148-H193 AromaticContact CE1-NE2 3.49Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.48Å; F148-H193 AromaticContact CG-NE2 3.96Å
149E93.4Very high96.9Very high133 Ų13348.5 Ų48.562%0.62124%0.239SC*.THydrogen-bonded Turntrans49.431.8-176.6-68.9174.2177.100113.8Y151E149-Y151 PolarHBondContact O-N 2.88Å
150N91.7Very high97Very high163 Ų16349.4 Ų49.487%0.87224%0.239SC*.THydrogen-bonded Turntrans58.94.5-178.7-66.670.4000116F148F148-N150 PolarHBondContact O-N 2.87Å
151Y92.6Very high96.9Very high136 Ų13652.6 Ų52.653%0.53325%0.25SC..THydrogen-bonded Turntrans-122.5-44.6-173.6-173.8-99.7000112.6F148 E149F148-Y151 PolarHBondContact O-N 3.26Å; F148-Y151 VanDerWaalsContact O-N 3.15Å; E149-Y151 PolarHBondContact O-N 2.88Å
152Y97.7Very high96.8Very high40 Ų4056 Ų5616%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-95.3152.3-177.6-61.6-73.4000111.8R76 V147 F148 H193R76-Y152 HydrophobicContact CB-CE1 3.97Å; R76-Y152 HydrophobicContact CG-CE1 3.97Å; V147-Y152 CarbonylContact C-O 3.56Å; V147-Y152 VanDerWaalsContact CA-O 3.31Å; V147-Y152 WeakPolarHBondContact CA-O 2.73Å; V147-Y152 WeakPolarHBondContact CG1-O 3.21Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.03Å; F148-Y152 PolarHBondContact O-N 3.22Å; Y152-H193 HydrophobicContact CD1-CB 3.67Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.37Å; Y152-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y152-H193 HydrophobicContact CE1-CB 4.3Å; Y152-H193 AromaticContact CE2-ND1 3.81Å; Y152-H193 HydrophobicContact CG-CB 3.66Å; Y152-H193 AromaticContact CG-CG 3.84Å; Y152-H193 AromaticContact CG-ND1 3.63Å
153V98.2Very high96.5Very high25 Ų2562 Ų6215%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-107.7136.6169.5-175.60000109E145 Y155 F194 P196E145-V153 HydrophobicContact CB-CG1 4.23Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.07Å; V153-F194 PolarHBondContact N-O 3.32Å; V153-F194 PolarHBondContact O-N 3.28Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.92Å
154T98.4Very high96.3Very high0 Ų071 Ų710%034%0.337CS..EExtended strand (participates in β ladder)trans-115.9140.9175.161.10000108.7E145 S146 F148 K187 A192E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.09Å; S146-T154 PolarHBondContact N-O 2.87Å; S146-T154 PolarHBondContact O-N 3.23Å; S146-T154 PolarHBondContact O-OG1 3.5Å; F148-T154 HydrophobicContact CB-CG2 4Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; T154-A192 HydrophobicContact CG2-CB 4.36Å; T154-A192 WeakPolarHBondContact CG2-O 3.3Å
155Y98.7Very high96.1Very high1 Ų171.3 Ų71.30%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-117117.1177.4-59.4-76.8000108.9L73 L104 V112 I114 F143 K144 E145 V153 Y170 L171 F194L73-Y155 HydrophobicContact CD1-CE2 4.23Å; L73-Y155 HydrophobicContact CD2-CE2 4.05Å; L73-Y155 WeakPolarHBondContact CD2-OH 3.25Å; L104-Y155 HydrophobicContact CD2-CE1 4.47Å; V112-Y155 HydrophobicContact CG2-CD1 3.85Å; V112-Y155 HydrophobicContact CG2-CE1 3.81Å; I114-Y155 HydrophobicContact CD1-CD1 4.12Å; I114-Y155 HydrophobicContact CD1-CD2 4.4Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.08Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; K144-Y155 WeakPolarHBondContact O-CA 3.47Å; E145-Y155 HydrophobicContact CB-CD1 4.03Å; E145-Y155 HydrophobicContact CB-CE1 3.91Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.07Å; Y155-Y170 CarbonylContact O-C 3.49Å; Y155-Y170 VanDerWaalsContact O-CA 3.31Å; Y155-Y170 WeakPolarHBondContact O-CA 3.5Å; Y155-L171 HydrophobicContact CD2-CD2 4.08Å; Y155-L171 PolarHBondContact O-N 3.38Å; Y155-F194 HydrophobicContact CD2-CD2 4.15Å; Y155-F194 HydrophobicContact CE2-CB 4.16Å; Y155-F194 HydrophobicContact CE2-CD2 4.46Å; Y155-F194 HydrophobicContact CE2-CG 4.44Å
156S98.3Very high95.9Very high3 Ų371.5 Ų71.52%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-115.9148.8179.261.60000112.5F143 K144 M158 W169F143-S156 CarbonylContact C-O 3.57Å; F143-S156 VanDerWaalsContact CA-O 3.3Å; F143-S156 WeakPolarHBondContact CA-O 3.2Å; K144-S156 PolarHBondContact N-O 2.85Å; K144-S156 PolarHBondContact O-N 2.86Å; S156-M158 PolarHBondContact O-N 3.02Å; S156-W169 CarbonylContact C-O 3.6Å; S156-W169 WeakPolarHBondContact CA-O 3.18Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å
157S98.2Very high95.9Very high1 Ų173.4 Ų73.41%0.00737%0.365CS..EExtended strand (participates in β ladder)trans-53.5135.1171.31790000110.3I159 Y160 R161 W169S157-I159 VanDerWaalsContact C-N 3.33Å; S157-I159 PolarHBondContact OG-N 3.47Å; S157-Y160 PolarHBondContact OG-N 3Å; S157-R161 PolarHBondContact O-NH2 3.28Å; S157-W169 PolarHBondContact N-O 3.13Å
158M97.1Very high95.9Very high68 Ų6870 Ų7034%0.33535%0.345SS..EExtended strand (participates in β ladder)trans-67.8-37.8173.6-85.4-66.9-68.500111.7V111 K142 K144 S156 R161V111-M158 HydrophobicContact CG1-CG 3.78Å; V111-M158 HydrophobicContact CG1-SD 4.12Å; V111-M158 HydrophobicContact CG2-CE 3.9Å; V111-M158 HydrophobicContact CG2-CG 4.42Å; V111-M158 HydrophobicContact CG2-SD 3.65Å; K142-M158 HydrophobicContact CB-CB 4.05Å; K142-M158 HydrophobicContact CB-CG 3.78Å; K142-M158 WeakPolarHBondContact O-CB 3.28Å; K142-M158 VanDerWaalsContact O-CG 3.27Å; K142-M158 WeakPolarHBondContact O-CG 3.5Å; K142-M158 PolarHBondContact O-N 3.48Å; K142-M158 VanDerWaalsContact O-N 3.13Å; K144-M158 HydrophobicContact CB-CG 4.46Å; K144-M158 HydrophobicContact CB-SD 3.73Å; K144-M158 HydrophobicContact CG-SD 4.47Å; S156-M158 PolarHBondContact O-N 3.02Å; M158-R161 PolarHBondContact O-NH2 3.11Å
159I96.2Very high96Very high76 Ų7669.8 Ų69.839%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-101.7-34.8-169.160.8177.6000113.5E140 S157E140-I159 HydrophobicContact CG-CD1 3.81Å; S157-I159 VanDerWaalsContact C-N 3.33Å; S157-I159 PolarHBondContact OG-N 3.47Å
160Y97.7Very high96.3Very high49 Ų4964.8 Ų64.819%0.19232%0.319CS..EExtended strand (participates in β ladder)trans-100.9130.9-173.6-56.3-52.4000113.3M125 N126 S127 E140 S157 W169M125-Y160 WeakPolarHBondContact O-CD2 3.37Å; M125-Y160 WeakPolarHBondContact O-CE2 3.21Å; N126-Y160 VanDerWaalsContact C-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CD2 3.45Å; N126-Y160 WeakPolarHBondContact O-CE2 3.31Å; S127-Y160 VanDerWaalsContact CA-CZ 3.41Å; E140-Y160 HydrophobicContact CG-CE2 3.94Å; E140-Y160 PolarHBondContact OE1-OH 2.98Å; S157-Y160 PolarHBondContact OG-N 3Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.4Å; Y160-W169 HydrophobicContact CG-CZ3 4.27Å
161R97Very high96.6Very high86 Ų8657 Ų5733%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-151.2159.3-175.9-52.9178.3-174.1-75.8-18.9109.1S157 M158 Q163 R167S157-R161 PolarHBondContact O-NH2 3.28Å; M158-R161 PolarHBondContact O-NH2 3.11Å; R161-Q163 PolarHBondContact O-N 3.01Å; R161-R167 WeakPolarHBondContact CA-O 3.43Å
162Q95.9Very high96.9Very high71 Ų7150.5 Ų50.533%0.33225%0.253SS..  trans-64.7120.9170.5-167.571.351.500110Q164 G166 R167Q162-Q164 PolarHBondContact O-N 3Å; Q162-G166 VanDerWaalsContact O-CA 3.32Å; Q162-G166 WeakPolarHBondContact O-CA 3.28Å; Q162-G166 PolarHBondContact O-N 3.01Å; Q162-R167 HydrophobicContact CB-CB 4.11Å; Q162-R167 PolarHBondContact N-O 2.97Å
163Q92.1Very high96.9Very high180 Ų18048.6 Ų48.684%0.84125%0.245SC*.THydrogen-bonded Turntrans-59-44.7-173.4-64.1-61.6-22.300113.6R161R161-Q163 PolarHBondContact O-N 3.01Å
164Q93Very high96.9Very high191 Ų19148.9 Ų48.989%0.89325%0.245SC*.THydrogen-bonded Turntrans-77.5-44.6-177-67.1177.1-13.500113.3Q162Q162-Q164 PolarHBondContact O-N 3Å
165S93.8Very high96.9Very high91 Ų9156.4 Ų56.464%0.63628%0.278SS*.THydrogen-bonded Turntrans-90.8-17.1-172.5166.70000113.6R167S165-R167 PolarHBondContact O-N 2.9Å
166G94.9Very high96.9Very high48 Ų4861.9 Ų61.950%0.49530%0.304SS..  trans70.12.4-170.500000114.5Q162 G168Q162-G166 VanDerWaalsContact O-CA 3.32Å; Q162-G166 WeakPolarHBondContact O-CA 3.28Å; Q162-G166 PolarHBondContact O-N 3.01Å; G166-G168 PolarHBondContact O-N 3.37Å
167R96.4Very high96.8Very high73 Ų7361.9 Ų61.928%0.27530%0.304SS..PPolyproline II helixtrans-61.2125.9-179.9-177.3178.362.784-3.1110.8R161 Q162 S165 N183 V185R161-R167 WeakPolarHBondContact CA-O 3.43Å; Q162-R167 HydrophobicContact CB-CB 4.11Å; Q162-R167 PolarHBondContact N-O 2.97Å; S165-R167 PolarHBondContact O-N 2.9Å; R167-N183 PolarHBondContact NH1-O 3.18Å; R167-N183 PolarHBondContact NH2-O 2.95Å; R167-V185 PolarHBondContact NH1-O 2.86Å
168G97.2Very high96.8Very high4 Ų467.4 Ų67.44%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-65155.217700000112.9G166 Y170G166-G168 PolarHBondContact O-N 3.37Å; G168-Y170 VanDerWaalsContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CD2 3.38Å; G168-Y170 WeakPolarHBondContact O-CE2 3.27Å
169W98.4Very high96.9Very high27 Ų2767 Ų6710%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-99.2137168.8-650.3000109.2M125 S127 G129 S156 S157 Y160 G182 N183M125-W169 HydrophobicContact SD-CB 3.72Å; M125-W169 HydrophobicContact SD-CE3 4.22Å; S127-W169 WeakPolarHBondContact O-CH2 3.39Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.24Å; G129-W169 VanDerWaalsContact CA-CE3 3.47Å; G129-W169 VanDerWaalsContact N-CZ3 3.25Å; S156-W169 CarbonylContact C-O 3.6Å; S156-W169 WeakPolarHBondContact CA-O 3.18Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å; S157-W169 PolarHBondContact N-O 3.13Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.4Å; Y160-W169 HydrophobicContact CG-CZ3 4.27Å; W169-G182 CarbonylContact C-O 3.59Å; W169-G182 VanDerWaalsContact CA-O 3.23Å; W169-G182 WeakPolarHBondContact CA-O 3.42Å; W169-G182 WeakPolarHBondContact CB-O 3.35Å; W169-N183 HydrophobicContact CD2-CB 3.91Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.93Å
170Y98.6Very high97Very high27 Ų2765.8 Ų65.811%0.10632%0.322CS..EExtended strand (participates in β ladder)trans-123.7144.6-166.4-66.4-93.7000111.7Y155 G168 G182 V185 K187Y155-Y170 CarbonylContact O-C 3.49Å; Y155-Y170 VanDerWaalsContact O-CA 3.31Å; Y155-Y170 WeakPolarHBondContact O-CA 3.5Å; G168-Y170 VanDerWaalsContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CD2 3.38Å; G168-Y170 WeakPolarHBondContact O-CE2 3.27Å; Y170-G182 PolarHBondContact N-O 3.06Å; Y170-G182 VanDerWaalsContact O-CA 3.28Å; Y170-G182 WeakPolarHBondContact O-CA 3.28Å; Y170-V185 WeakPolarHBondContact O-CB 3.14Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.94Å; Y170-K187 HydrophobicContact CE2-CB 3.93Å
171L98.5Very high97Very high0 Ų065.9 Ų65.90%032%0.323CS..  trans-59.8136.6158.9167.864.6000108.2L81 I114 L131 Y155 I179 F194L81-L171 HydrophobicContact CD1-CD1 4.48Å; L81-L171 HydrophobicContact CD2-CD2 4.12Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.24Å; L131-L171 HydrophobicContact CD2-CG 4.27Å; Y155-L171 HydrophobicContact CD2-CD2 4.08Å; Y155-L171 PolarHBondContact O-N 3.38Å; L171-I179 HydrophobicContact CD1-CD1 3.69Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.83Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.39Å
172G98.4Very high97Very high0 Ų061.8 Ų61.80%031%0.308CS..  trans-170.6157.6176.200000114.1I179 M180 A191G172-I179 WeakPolarHBondContact O-CD1 3.34Å; G172-M180 PolarHBondContact O-N 2.86Å; G172-A191 CarbonylContact C-O 3.5Å; G172-A191 WeakPolarHBondContact CA-O 3.4Å
173L98.6Very high97.1Very high0 Ų060 Ų600%030%0.3CS..BIsolated β-bridgetrans-113.8149.3175.9-61.3178.7000110.2L81 E178 I179 A191L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.18Å; L81-L173 HydrophobicContact CD1-CG 4.47Å; L173-E178 CarbonylContact C-O 3.56Å; L173-E178 VanDerWaalsContact CA-O 3.27Å; L173-E178 WeakPolarHBondContact CA-O 3.5Å; L173-I179 HydrophobicContact CD2-CB 4.44Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å; L173-A191 PolarHBondContact N-O 2.78Å; L173-A191 VanDerWaalsContact N-O 3.16Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.43Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å
174N98Very high97.4Very high30 Ų3057 Ų5716%0.1629%0.286CS..  trans-78.2-167171.168.47.2000111.2Q77 E176 G177 E178 M180Q77-N174 WeakPolarHBondContact CB-O 3.44Å; Q77-N174 VanDerWaalsContact CG-O 3.28Å; Q77-N174 WeakPolarHBondContact CG-O 2.96Å; Q77-N174 PolarHBondContact NE2-O 3.06Å; N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 2.95Å; N174-E176 WeakPolarHBondContact OD1-CA 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.32Å; N174-E176 PolarHBondContact OD1-N 2.8Å; N174-E176 PolarHBondContact OD1-OE2 2.89Å; N174-G177 PolarHBondContact OD1-N 2.92Å; N174-E178 PolarHBondContact N-O 3.34Å; N174-E178 PolarHBondContact ND2-OE2 3.48Å; N174-E178 PolarHBondContact OD1-N 3.15Å; N174-E178 PolarHBondContact OD1-O 2.89Å; N174-M180 HydrophobicContact CB-CG 3.91Å; N174-M180 HydrophobicContact CB-SD 3.95Å
175K97.9Very high97.6Very high158 Ų15848 Ų4869%0.68724%0.244SC*.SBendtrans-78.5-20.3180-68.1178.4179.7179.50111.9Y79 G177Y79-K175 VanDerWaalsContact CE2-O 3.28Å; Y79-K175 WeakPolarHBondContact CE2-O 3.47Å; Y79-K175 PolarHBondContact OH-O 2.89Å; K175-G177 VanDerWaalsContact C-N 3.33Å
176E97.9Very high97.8Very high117 Ų11748.6 Ų48.655%0.54724%0.235SC..SBendtrans-86.8-8.3-178.3-60.665.4-14300111.6N174 E178N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 2.95Å; N174-E176 WeakPolarHBondContact OD1-CA 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.32Å; N174-E176 PolarHBondContact OD1-N 2.8Å; N174-E176 PolarHBondContact OD1-OE2 2.89Å; E176-E178 HydrophobicContact CB-CG 4.2Å
177G97.4Very high97.9Very high2 Ų250.1 Ų50.12%0.02123%0.228CC..SBendtrans907.8-179.400000113.7D90 G91 N174 K175D90-G177 CarbonylContact C-O 3.48Å; G91-G177 VanDerWaalsContact CA-O 3.31Å; G91-G177 WeakPolarHBondContact CA-O 3.27Å; G91-G177 PolarHBondContact N-O 2.8Å; N174-G177 PolarHBondContact OD1-N 2.92Å; K175-G177 VanDerWaalsContact C-N 3.33Å
178E98.2Very high97.9Very high118 Ų11851.5 Ų51.555%0.55124%0.241SC*.BIsolated β-bridgetrans-89.4150-177.8-48.3169.8139.300111.5L173 N174 E176 M180L173-E178 CarbonylContact C-O 3.56Å; L173-E178 VanDerWaalsContact CA-O 3.27Å; L173-E178 WeakPolarHBondContact CA-O 3.5Å; N174-E178 PolarHBondContact N-O 3.34Å; N174-E178 PolarHBondContact ND2-OE2 3.48Å; N174-E178 PolarHBondContact OD1-N 3.15Å; N174-E178 PolarHBondContact OD1-O 2.89Å; E176-E178 HydrophobicContact CB-CG 4.2Å; E178-M180 PolarHBondContact O-N 3.02Å
179I98.2Very high97.9Very high58 Ų5856.6 Ų56.630%0.29726%0.262SS..BIsolated β-bridgetrans-68.3131.6179.1-167.168.9000112I89 L131 L171 G172 L173I89-I179 HydrophobicContact CG2-CD1 4.03Å; I89-I179 HydrophobicContact CG2-CG1 4.36Å; I89-I179 WeakPolarHBondContact O-CB 3.49Å; I89-I179 WeakPolarHBondContact O-CG2 3.27Å; L131-I179 HydrophobicContact CB-CD1 4.4Å; L131-I179 HydrophobicContact CB-CG1 4.04Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.05Å; L131-I179 HydrophobicContact CD2-CD1 3.83Å; L131-I179 HydrophobicContact CD2-CG1 4.36Å; L131-I179 HydrophobicContact CG-CD1 4.36Å; L131-I179 HydrophobicContact CG-CG1 4.38Å; L171-I179 HydrophobicContact CD1-CD1 3.69Å; G172-I179 WeakPolarHBondContact O-CD1 3.34Å; L173-I179 HydrophobicContact CD2-CB 4.44Å; L173-I179 HydrophobicContact CD2-CD1 4.1Å
180M98.3Very high97.9Very high52 Ų5257.3 Ų57.326%0.25627%0.27SS..PPolyproline II helixtrans-98.9147.1178.6-66.6-177.77500111.9L131 G172 N174 E178 G182 H184 V185 A191L131-M180 VanDerWaalsContact CD1-O 3.24Å; L131-M180 WeakPolarHBondContact CD1-O 3.32Å; G172-M180 PolarHBondContact O-N 2.86Å; N174-M180 HydrophobicContact CB-CG 3.91Å; N174-M180 HydrophobicContact CB-SD 3.95Å; E178-M180 PolarHBondContact O-N 3.02Å; M180-G182 PolarHBondContact O-N 3.37Å; M180-H184 HydrophobicContact CE-CB 4.36Å; M180-V185 HydrophobicContact CB-CG2 3.5Å; M180-V185 VanDerWaalsContact CB-CG2 3.5Å; M180-V185 HydrophobicContact CG-CG2 4.43Å; M180-V185 HydrophobicContact SD-CG2 4.2Å; M180-A191 HydrophobicContact SD-CB 3.78Å
181K98.1Very high97.9Very high51 Ų5156.6 Ų56.622%0.22227%0.27CS..PPolyproline II helixtrans-58.8130.1168.6-157.8179.1175.6160.50110.5E128 G129 Y130 N183 H184 V185E128-K181 WeakPolarHBondContact O-CE 3.47Å; E128-K181 PolarHBondContact O-NZ 3.2Å; G129-K181 CarbonylContact O-C 3.45Å; G129-K181 WeakPolarHBondContact O-CG 3.48Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.09Å; Y130-K181 HydrophobicContact CE1-CD 3.86Å; Y130-K181 HydrophobicContact CE1-CG 4.05Å; Y130-K181 PolarHBondContact OH-NZ 3.29Å; K181-N183 VanDerWaalsContact C-N 3.25Å; K181-N183 WeakPolarHBondContact CB-OD1 3.37Å; K181-N183 WeakPolarHBondContact CD-OD1 3.23Å; K181-N183 WeakPolarHBondContact CG-OD1 3.47Å; K181-N183 PolarHBondContact O-N 2.82Å; K181-N183 VanDerWaalsContact O-N 3.14Å; K181-H184 WeakPolarHBondContact O-CA 3.48Å; K181-H184 WeakPolarHBondContact O-CB 3.31Å; K181-H184 PolarHBondContact O-N 3.09Å; K181-V185 PolarHBondContact O-N 3.36Å
182G98.1Very high97.9Very high0 Ų056.6 Ų56.60%027%0.27CS..THydrogen-bonded Turntrans-61.5-29.1-168.800000114.7G129 W169 Y170 M180 H184 V185G129-G182 PolarHBondContact O-N 3.27Å; W169-G182 CarbonylContact C-O 3.59Å; W169-G182 VanDerWaalsContact CA-O 3.23Å; W169-G182 WeakPolarHBondContact CA-O 3.42Å; W169-G182 WeakPolarHBondContact CB-O 3.35Å; Y170-G182 PolarHBondContact N-O 3.06Å; Y170-G182 VanDerWaalsContact O-CA 3.28Å; Y170-G182 WeakPolarHBondContact O-CA 3.28Å; M180-G182 PolarHBondContact O-N 3.37Å; G182-H184 VanDerWaalsContact C-N 3.31Å; G182-H184 PolarHBondContact O-N 3.46Å; G182-V185 PolarHBondContact O-N 3.34Å
183N97.3Very high97.9Very high32 Ų3256.6 Ų56.617%0.17127%0.27CS..THydrogen-bonded Turntrans-71.7-22.5174.169.3-35.2000113.1R167 W169 K181R167-N183 PolarHBondContact NH1-O 3.18Å; R167-N183 PolarHBondContact NH2-O 2.95Å; W169-N183 HydrophobicContact CD2-CB 3.91Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.93Å; K181-N183 VanDerWaalsContact C-N 3.25Å; K181-N183 WeakPolarHBondContact CB-OD1 3.37Å; K181-N183 WeakPolarHBondContact CD-OD1 3.23Å; K181-N183 WeakPolarHBondContact CG-OD1 3.47Å; K181-N183 PolarHBondContact O-N 2.82Å; K181-N183 VanDerWaalsContact O-N 3.14Å
184H97.7Very high97.9Very high119 Ų11956.6 Ų56.655%0.55127%0.27SS*.THydrogen-bonded Turntrans-85.6-20.5177.3-62.8177.1000112.6M180 K181 G182M180-H184 HydrophobicContact CE-CB 4.36Å; K181-H184 WeakPolarHBondContact O-CA 3.48Å; K181-H184 WeakPolarHBondContact O-CB 3.31Å; K181-H184 PolarHBondContact O-N 3.09Å; G182-H184 VanDerWaalsContact C-N 3.31Å; G182-H184 PolarHBondContact O-N 3.46Å
185V98.4Very high97.9Very high1 Ų157.6 Ų57.61%0.00628%0.275CS..  trans-80.4130176.6-173.70000110.1R167 Y170 M180 K181 G182 A191 A192R167-V185 PolarHBondContact NH1-O 2.86Å; Y170-V185 WeakPolarHBondContact O-CB 3.14Å; M180-V185 HydrophobicContact CB-CG2 3.5Å; M180-V185 VanDerWaalsContact CB-CG2 3.5Å; M180-V185 HydrophobicContact CG-CG2 4.43Å; M180-V185 HydrophobicContact SD-CG2 4.2Å; K181-V185 PolarHBondContact O-N 3.36Å; G182-V185 PolarHBondContact O-N 3.34Å; V185-A191 HydrophobicContact CG1-CB 4.39Å; V185-A192 HydrophobicContact CG1-CB 3.5Å; V185-A192 VanDerWaalsContact CG1-CB 3.5Å
186K97.6Very high97.8Very high104 Ų10451.5 Ų51.545%0.45225%0.252SS..  trans-112.8138179.6-63.9179.7-178.5178.60110.2N188 K189 A192K186-N188 PolarHBondContact O-N 3.01Å; K186-N188 VanDerWaalsContact O-N 3.09Å; K186-K189 HydrophobicContact CB-CB 4.22Å; K186-K189 HydrophobicContact CB-CG 3.77Å; K186-K189 HydrophobicContact CD-CG 4.29Å; K186-K189 HydrophobicContact CG-CG 4.49Å; K186-K189 PolarHBondContact O-N 2.91Å; K186-A192 WeakPolarHBondContact O-CB 3.07Å
187K97.1Very high97.8Very high79 Ų7949.7 Ų49.734%0.34324%0.242SC..THydrogen-bonded Turntrans-52-35.7-178.7-164.8-170.2177.9-169.60114.1F148 T154 Y170 H193F148-K187 HydrophobicContact CD2-CD 4.36Å; F148-K187 HydrophobicContact CD2-CG 4.13Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.94Å; Y170-K187 HydrophobicContact CE2-CB 3.93Å; K187-H193 PolarHBondContact O-NE2 3.32Å
188N96.2Very high97.7Very high103 Ų10353.9 Ų53.955%0.55127%0.269SS*.THydrogen-bonded Turntrans-92.67.4-177.167.5-20.5000113.8F148 K186F148-N188 HydrophobicContact CE2-CB 4.08Å; F148-N188 HydrophobicContact CZ-CB 4.03Å; K186-N188 PolarHBondContact O-N 3.01Å; K186-N188 VanDerWaalsContact O-N 3.09Å
189K97.8Very high97.6Very high111 Ų11154 Ų5448%0.48327%0.273SS..SBendtrans-105.6141.3178.3-67.3-64.1-174.9-1790109.5K186 A191 A192 H193K186-K189 HydrophobicContact CB-CB 4.22Å; K186-K189 HydrophobicContact CB-CG 3.77Å; K186-K189 HydrophobicContact CD-CG 4.29Å; K186-K189 HydrophobicContact CG-CG 4.49Å; K186-K189 PolarHBondContact O-N 2.91Å; K189-A191 PolarHBondContact O-N 3.04Å; K189-A192 PolarHBondContact O-N 3.43Å; K189-H193 PolarHBondContact O-CD2 3.15Å; K189-H193 PolarHBondContact O-NE2 3.33Å
190P97.8Very high97.5Very high42 Ų4257.6 Ų57.627%0.27329%0.286SS..G310 helixtrans-49.5-32179.4-33.439.1000115.3R76 A192 H193R76-P190 HydrophobicContact CG-CB 4.18Å; P190-A192 PolarHBondContact O-N 3.49Å; P190-A192 VanDerWaalsContact O-N 3.11Å; P190-H193 WeakPolarHBondContact O-CB 3.18Å; P190-H193 PolarHBondContact O-N 2.77Å
191A98.3Very high97.4Very high12 Ų1259.3 Ų59.310%0.09930%0.299CS..G310 helixtrans-51.5-32.5175.200000114.3G172 L173 M180 V185 K189G172-A191 CarbonylContact C-O 3.5Å; G172-A191 WeakPolarHBondContact CA-O 3.4Å; L173-A191 PolarHBondContact N-O 2.78Å; L173-A191 VanDerWaalsContact N-O 3.16Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.43Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å; M180-A191 HydrophobicContact SD-CB 3.78Å; V185-A191 HydrophobicContact CG1-CB 4.39Å; K189-A191 PolarHBondContact O-N 3.04Å
192A98.4Very high97.3Very high0 Ų058 Ų580%030%0.298CS..G310 helixtrans-88-6.1-17800000114T154 V185 K186 K189 P190 F194T154-A192 HydrophobicContact CG2-CB 4.36Å; T154-A192 WeakPolarHBondContact CG2-O 3.3Å; V185-A192 HydrophobicContact CG1-CB 3.5Å; V185-A192 VanDerWaalsContact CG1-CB 3.5Å; K186-A192 WeakPolarHBondContact O-CB 3.07Å; K189-A192 PolarHBondContact O-N 3.43Å; P190-A192 PolarHBondContact O-N 3.49Å; P190-A192 VanDerWaalsContact O-N 3.11Å; A192-F194 WeakPolarHBondContact O-CD2 3.38Å
193H98.6Very high97Very high0 Ų063 Ų630%032%0.323CS..  trans-97.8119.4-165.2-65.7-168.4000110.6R76 F148 Y152 K187 K189 P190R76-H193 HydrophobicContact CB-CB 3.77Å; R76-H193 PolarHBondContact N-O 2.8Å; R76-H193 PolarHBondContact NH1-CE1 3.27Å; R76-H193 PolarHBondContact NH1-ND1 2.89Å; F148-H193 AromaticContact CD1-CE1 3.21Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.32Å; F148-H193 AromaticContact CD1-ND1 3.9Å; F148-H193 AromaticContact CD1-NE2 3.39Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.19Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.47Å; F148-H193 AromaticContact CE1-NE2 3.49Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.48Å; F148-H193 AromaticContact CG-NE2 3.96Å; Y152-H193 HydrophobicContact CD1-CB 3.67Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.37Å; Y152-H193 WeakPolarHBondContact CD2-ND1 3.35Å; Y152-H193 HydrophobicContact CE1-CB 4.3Å; Y152-H193 AromaticContact CE2-ND1 3.81Å; Y152-H193 HydrophobicContact CG-CB 3.66Å; Y152-H193 AromaticContact CG-CG 3.84Å; Y152-H193 AromaticContact CG-ND1 3.63Å; K187-H193 PolarHBondContact O-NE2 3.32Å; K189-H193 PolarHBondContact O-CD2 3.15Å; K189-H193 PolarHBondContact O-NE2 3.33Å; P190-H193 WeakPolarHBondContact O-CB 3.18Å; P190-H193 PolarHBondContact O-N 2.77Å
194F98.6Very high96.8Very high0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-119147.1175.5-63-92.1000110.8L73 Y74 V153 Y155 L171 A192L73-F194 HydrophobicContact CB-CD1 4.2Å; Y74-F194 CarbonylContact O-C 3.59Å; Y74-F194 WeakPolarHBondContact O-CA 3.37Å; V153-F194 PolarHBondContact N-O 3.32Å; V153-F194 PolarHBondContact O-N 3.28Å; Y155-F194 HydrophobicContact CD2-CD2 4.15Å; Y155-F194 HydrophobicContact CE2-CB 4.16Å; Y155-F194 HydrophobicContact CE2-CD2 4.46Å; Y155-F194 HydrophobicContact CE2-CG 4.44Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.83Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.39Å; A192-F194 WeakPolarHBondContact O-CD2 3.38Å
195L97.5Very high96.5Very high50 Ų5063.4 Ų63.426%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-111.5106.5169.2-176.364.3000107.8Y74 K197Y74-L195 HydrophobicContact CD1-CB 4.48Å; Y74-L195 PolarHBondContact N-O 3.49Å; Y74-L195 PolarHBondContact O-N 3.09Å; L195-K197 PolarHBondContact O-N 3.48Å
196P97Very high96Very high31 Ų3168.3 Ų68.320%0.20134%0.343CS..EExtended strand (participates in β ladder)trans-61.6129.8170.8-20.933.3000109.7K72 L73 V153 P198K72-P196 WeakPolarHBondContact O-CA 3.38Å; L73-P196 HydrophobicContact CD2-CB 4.21Å; L73-P196 HydrophobicContact CD2-CG 4.19Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.92Å; P196-P198 WeakPolarHBondContact O-CD 3.31Å
197K96.7Very high95.6Very high79 Ų7964.1 Ų64.134%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-10986.6169.4-65.6-178.8178.6176.60107.9T71 K72 H80 E95 L195T71-K197 WeakPolarHBondContact CA-O 3.37Å; T71-K197 PolarHBondContact OG1-N 3.45Å; T71-K197 PolarHBondContact OG1-O 3.4Å; K72-K197 HydrophobicContact CB-CB 4.33Å; K72-K197 PolarHBondContact N-O 3.06Å; K72-K197 PolarHBondContact O-N 3.43Å; H80-K197 PolarHBondContact CE1-NZ 2.95Å; H80-K197 PolarHBondContact NE2-NZ 2.72Å; H80-K197 VanDerWaalsContact NE2-NZ 3.18Å; E95-K197 IonicContact OE1-NZ 3.77Å; L195-K197 PolarHBondContact O-N 3.48Å
198P96.2Very high95.1Very high89 Ų8964.2 Ų64.258%0.57834%0.337SS*.EExtended strand (participates in β ladder)trans-65.1137-176.5-20.533.7000111.3I69 P196I69-P198 HydrophobicContact CD1-CB 4.24Å; I69-P198 HydrophobicContact CD1-CG 4.19Å; P196-P198 WeakPolarHBondContact O-CD 3.31Å
199L96Very high94.8Very high122 Ų12263.5 Ų63.564%0.63933%0.333SS*.EExtended strand (participates in β ladder)trans-100.8-52.3176.5-175.964.6000111.2V70 L101V70-L199 HydrophobicContact CG1-CD2 4.43Å; V70-L199 WeakPolarHBondContact O-CB 3.05Å; V70-L199 PolarHBondContact O-N 3.43Å; L101-L199 HydrophobicContact CD2-CD2 4.16Å
200K96.1Very high94Very high132 Ų13260.5 Ų60.557%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-153.9155.8178.461.9-178.2178-174.80111.7I69 V70I69-K200 CarbonylContact C-O 3.57Å; I69-K200 WeakPolarHBondContact CA-O 3.38Å; V70-K200 HydrophobicContact CB-CG 3.99Å; V70-K200 HydrophobicContact CG2-CG 4.06Å; V70-K200 PolarHBondContact N-O 2.69Å; V70-K200 PolarHBondContact O-N 2.84Å
201V96.4Very high93Very high89 Ų8963.3 Ų63.354%0.53933%0.333SS..EExtended strand (participates in β ladder)trans-80.9140.8169.2177.40000109K67 I69K67-V201 HydrophobicContact CD-CG1 4.27Å; K67-V201 VanDerWaalsContact CE-CG1 3.48Å; K67-V201 HydrophobicContact CG-CG1 3.75Å; I69-V201 HydrophobicContact CG2-CG2 4.27Å
202A94.7Very high91.7Very high24 Ų2465.5 Ų65.520%0.19834%0.343CS..EExtended strand (participates in β ladder)trans-140148.3177.300000111.3G68 V70 Y204G68-A202 CarbonylContact C-O 3.57Å; G68-A202 PolarHBondContact N-O 3.41Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å; V70-A202 HydrophobicContact CG2-CB 4.33Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.82Å; A202-Y204 WeakPolarHBondContact O-CD2 3.24Å; A202-Y204 WeakPolarHBondContact O-CE2 3.49Å
203M93.4Very high90.1Very high105 Ų10570.3 Ų70.352%0.51737%0.373SS..EExtended strand (participates in β ladder)trans-92.6126.3173.7-61.3-57.3-75.300108.7Q65 L66 K67Q65-M203 HydrophobicContact CB-CE 3.64Å; L66-M203 WeakPolarHBondContact O-CA 3.32Å; K67-M203 HydrophobicContact CB-CE 4.43Å; K67-M203 HydrophobicContact CB-SD 3.83Å; K67-M203 HydrophobicContact CG-SD 3.95Å
204Y92.2Very high88.1Confident31 Ų3175.9 Ų75.912%0.12240%0.399CS..EExtended strand (participates in β ladder)trans-115144.2179.7-59.6-79.5000109.9Q65 L66 I69 V70 N103 I105 A202Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.13Å; L66-Y204 PolarHBondContact N-O 3.28Å; L66-Y204 PolarHBondContact O-N 3.29Å; I69-Y204 PolarHBondContact O-OH 3.4Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.39Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.19Å; N103-Y204 PolarHBondContact OD1-OH 3.45Å; I105-Y204 HydrophobicContact CD1-CD1 4.11Å; I105-Y204 HydrophobicContact CD1-CG 4.15Å; I105-Y204 HydrophobicContact CG1-CD1 4.19Å; I105-Y204 HydrophobicContact CG1-CD2 3.95Å; I105-Y204 HydrophobicContact CG1-CE1 4.47Å; I105-Y204 HydrophobicContact CG1-CE2 4.22Å; I105-Y204 HydrophobicContact CG1-CG 3.92Å; I105-Y204 HydrophobicContact CG2-CD2 4.44Å; I105-Y204 HydrophobicContact CG2-CG 4.42Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.82Å; A202-Y204 WeakPolarHBondContact O-CD2 3.24Å; A202-Y204 WeakPolarHBondContact O-CE2 3.49Å
205K91.2Very high86.1Confident128 Ų12880 Ų8056%0.55742%0.417SS*.EExtended strand (participates in β ladder)trans-66.7141.2162.5179.8173177.8153.70108.6E63 P207E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.12Å; E63-K205 VanDerWaalsContact OE2-CD 3.32Å; E63-K205 WeakPolarHBondContact OE2-CD 3.21Å; E63-K205 WeakPolarHBondContact OE2-CE 3.37Å; E63-K205 IonicContact OE2-NZ 2.78Å; E63-K205 PolarHBondContact OE2-NZ 3.25Å; K205-P207 WeakPolarHBondContact O-CD 3.4Å
206E88.8Confident83.8Confident103 Ų10382.8 Ų82.848%0.48144%0.441SS..PPolyproline II helixtrans-58.5121.8172.7-175.4165.9-16700110.7L66L66-E206 HydrophobicContact CD1-CB 3.96Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.3Å
207P88.9Confident81.5Confident16 Ų1691.5 Ų91.510%0.10447%0.47CS..PPolyproline II helixtrans-62.8136.5179.5-23.434.3000111.8I105 F137 K205 L209I105-P207 HydrophobicContact CD1-CG 4.45Å; I105-P207 HydrophobicContact CG2-CG 4.44Å; F137-P207 HydrophobicContact CB-CB 3.7Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.27Å; F137-P207 HydrophobicContact CE1-CB 4.24Å; F137-P207 HydrophobicContact CG-CB 3.59Å; F137-P207 HydrophobicContact CG-CG 4.47Å; K205-P207 WeakPolarHBondContact O-CD 3.4Å; P207-L209 PolarHBondContact O-N 3.26Å
208S86.6Confident79.1Confident81 Ų8193 Ų9357%0.56649%0.49SS*.PPolyproline II helixtrans-71.1116.1175.851.50000110.6H210S208-H210 PolarHBondContact O-N 3.19Å; S208-H210 PolarHBondContact O-ND1 3.13Å; S208-H210 PolarHBondContact OG-CE1 3.11Å; S208-H210 VanDerWaalsContact OG-CE1 3.32Å
209L88.9Confident76.6Confident88 Ų8892.5 Ų92.546%0.46150%0.501SS..BIsolated β-bridgetrans-69.7117.8177.8-172.166.3000110.4F137 P139 P207F137-L209 HydrophobicContact CD1-CB 4.4Å; F137-L209 HydrophobicContact CD1-CD1 3.96Å; F137-L209 HydrophobicContact CE1-CD1 3.89Å; F137-L209 CarbonylContact O-C 3.59Å; F137-L209 WeakPolarHBondContact O-CA 3.31Å; P139-L209 HydrophobicContact CG-CD1 4.14Å; P207-L209 PolarHBondContact O-N 3.26Å
210H81.8Confident74.1Confident49 Ų4992.1 Ų92.123%0.22751%0.508CS..PPolyproline II helixtrans-98.8140.9172.6-68.266.2000109.9H136 F137 P139 S208 F215H136-H210 HydrophobicContact CB-CB 4.26Å; H136-H210 AromaticContact CE1-NE2 3.97Å; H136-H210 AromaticContact ND1-CD2 3.56Å; H136-H210 AromaticContact ND1-CE1 3.57Å; H136-H210 AromaticContact ND1-CG 3.97Å; H136-H210 AromaticContact ND1-ND1 3.98Å; H136-H210 AromaticContact ND1-NE2 3.26Å; H136-H210 PolarHBondContact ND1-NE2 3.14Å; F137-H210 PolarHBondContact O-N 3.38Å; P139-H210 WeakPolarHBondContact CD-O 3.31Å; S208-H210 PolarHBondContact O-N 3.19Å; S208-H210 PolarHBondContact O-ND1 3.13Å; S208-H210 PolarHBondContact OG-CE1 3.11Å; S208-H210 VanDerWaalsContact OG-CE1 3.32Å; H210-F215 HydrophobicContact CB-CE2 4.23Å; H210-F215 HydrophobicContact CB-CZ 4.26Å
211D76.1Confident71.4Confident100 Ų10089.2 Ų89.254%0.53552%0.516SS..PPolyproline II helixtrans-75.5142.6175.5-75.6-34.9000110.6T213 E214D211-T213 PolarHBondContact O-N 3.45Å; D211-T213 VanDerWaalsContact O-N 3.15Å; D211-E214 PolarHBondContact O-N 3.33Å
212L71Confident68.9Low59 Ų5991.6 Ų91.631%0.30953%0.531SS..G310 helixtrans-61.5-24.9-179.4-64.4172.7000112.5T138 E140 E214 F215T138-L212 HydrophobicContact CG2-CD2 4.06Å; E140-L212 HydrophobicContact CB-CD2 4.5Å; E140-L212 HydrophobicContact CG-CD1 4.11Å; E140-L212 HydrophobicContact CG-CD2 3.92Å; L212-E214 VanDerWaalsContact C-N 3.28Å; L212-E214 PolarHBondContact O-N 3.49Å; L212-F215 PolarHBondContact O-N 3.38Å
213T65.5Low66.6Low100 Ų10095.5 Ų95.561%0.61355%0.554SS**G310 helixtrans-71.4-17.9-176.351.90000113.9D211D211-T213 PolarHBondContact O-N 3.45Å; D211-T213 VanDerWaalsContact O-N 3.15Å
214E57.6Low64.3Low117 Ų11797 Ų9755%0.54757%0.57SS.*G310 helixtrans-75.4-26178.1-66.4-169.7161.700112.3D211 L212 S216 R217D211-E214 PolarHBondContact O-N 3.33Å; L212-E214 VanDerWaalsContact C-N 3.28Å; L212-E214 PolarHBondContact O-N 3.49Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.12Å; E214-R217 PolarHBondContact O-N 3.36Å
215F55.9Low62.1Low86 Ų86105.2 Ų105.238%0.37761%0.606SS.*THydrogen-bonded Turntrans-75.3-18.4-178.8-63.1-72000114H136 T138 H210 L212 R217H136-F215 HydrophobicContact CB-CE1 4.15Å; H136-F215 HydrophobicContact CB-CE2 4.48Å; H136-F215 HydrophobicContact CB-CZ 3.51Å; H136-F215 AromaticContact CD2-CE1 3.38Å; H136-F215 WeakPolarHBondContact CD2-CE1 3.47Å; H136-F215 AromaticContact CD2-CZ 3.65Å; H136-F215 AromaticContact CG-CE1 3.9Å; H136-F215 AromaticContact CG-CZ 3.64Å; T138-F215 HydrophobicContact CG2-CD2 4.37Å; T138-F215 HydrophobicContact CG2-CE2 3.56Å; T138-F215 HydrophobicContact CG2-CZ 4.15Å; H210-F215 HydrophobicContact CB-CE2 4.23Å; H210-F215 HydrophobicContact CB-CZ 4.26Å; L212-F215 PolarHBondContact O-N 3.38Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 3.41Å
216S48.7Very low60Low109 Ų109104.5 Ų104.576%0.76262%0.617SS**THydrogen-bonded Turntrans-78.4-9.4177.2-52.10000113.4E214E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.12Å
217R49.9Very low58.1Low215 Ų215111 Ų11181%0.81164%0.638SS**SBendtrans-109.5-2.3-172.3-58.3-175.291.6173.76.1114.5E214 F215 G219E214-R217 PolarHBondContact O-N 3.36Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 3.41Å; R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 3.48Å; R217-G219 VanDerWaalsContact O-N 3.1Å
218S44.8Very low56.1Low110 Ų110115 Ų11577%0.76967%0.665SS**THydrogen-bonded Turntrans-89.462.6-178.9-51.70000111.6
219G44.5Very low54.3Low79 Ų79117.2 Ų117.281%0.81468%0.675SS**THydrogen-bonded Turntrans-148.78.7178.600000115.1R217R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 3.48Å; R217-G219 VanDerWaalsContact O-N 3.1Å
220S42.6Very low52.5Low113 Ų113118.3 Ų118.379%0.7969%0.69SS**SBendtrans-135.4120.5179.9176.20000110.4
221G40.6Very low50.9Low72 Ų72119.1 Ų119.174%0.74271%0.712SS**  trans-59.4153.9-17600000115.1
222T44.2Very low49.8Very low138 Ų138120.8 Ų120.885%0.84773%0.726SS**  trans-65.3173156.252.90000109.7
223P45.5Very low49.3Very low106 Ų106125.1 Ų125.169%0.68875%0.748SS**  cis-136.2178.517.634-9.4000112.3
224T45.8Very low48.6Very low137 Ų137128.1 Ų128.184%0.8476%0.761SS**  172.2154.668.6-13.40000108.5
225K45.3Very low48Very low203 Ų203126.1 Ų126.188%0.88377%0.771SS**  trans-74.9143.9-179.3-71167.5164.6174.80113.9
226S46.7Very low47.5Very low114 Ų114125.5 Ų125.580%0.79779%0.789SS**  trans172.993.1136.145.20000109.8
227R48.5Very low47.5Very low240 Ų240130.2 Ų130.291%0.90680%0.796SS**  38102.698.1-105.9-175.5172-170.8-4.3116.7
228S47.1Very low47.5Very low98 Ų98124.4 Ų124.469%0.68579%0.788SS**  trans62.6123.8130.858.60000120.1
229V49Very low47.9Very low128 Ų128127 Ų12778%0.77679%0.791SS**  166.5128.2104.6160.40000110.9
230S51.9Low48.1Very low111 Ų111127.1 Ų127.178%0.77678%0.779SS**  trans47.2127.2152.371.10000123.5
231G48.3Very low48.7Very low67 Ų67129.7 Ų129.769%0.69178%0.778SS**  115.7127.9103.900000118.8
232V53.3Low49.2Very low134 Ų134132.3 Ų132.381%0.81278%0.775SS**  trans78.797.2146-165.50000115.5
233L59.5Low49.5Very low150 Ų150134.4 Ų134.479%0.78578%0.775SS**  75.1134.284.2-71.7168000115.8
234N51Low50.2Low163 Ų163135 Ų13587%0.87278%0.782SS**  trans70.3137.5164.2-68.9-6.1000116.9
235G45.3Very low50.7Low75 Ų75138.8 Ų138.877%0.77381%0.805SS**  cis151137.37.400000108.6
236G45.2Very low51Low73 Ų73135.6 Ų135.675%0.75380%0.801SS**  trans91116.4153.700000119.5
237K48.9Very low51.3Low208 Ų208136.7 Ų136.790%0.90480%0.801SS**  38.6144.8123.4-67.8179175.3-179.10118.8
238S49Very low51.4Low93 Ų93131 Ų13165%0.6580%0.796SS**  cis174.7157.6-054.20000107.2
239M52.7Low51.7Low166 Ų166132.9 Ų132.982%0.81880%0.802SS**  trans70.7107.5152.8-68.3-16873.800118
240S50.7Low51.8Low81 Ų81133.3 Ų133.357%0.56680%0.804SS**  81.1115.187.574.30000114.2
241H53.9Low51.8Low166 Ų166134.7 Ų134.777%0.76981%0.806SS**  163146.7116.8-104.4-83000113.4
242N52.3Low52.1Low128 Ų128139.6 Ų139.668%0.68481%0.814SS**  trans94.1104.6148-64.8-1.7000121.2
243E49.8Very low52Low182 Ų182140 Ų14085%0.8581%0.814SS**  23.6127126.3-81.1177.2102.400119.8
244S60.9Low51.3Low118 Ų118139.2 Ų139.283%0.82582%0.816SS**  -169.6114.9118.15.90000111.3
245T56.3Low51.4Low217 Ų217137 Ų137100%1.33181%0.811SS**  trans149.80141.5-54.40000109.7

Retrieved 245 of 245 residues in 55.3 ms (Link to these results)