A0A061HXY7_CRIGR Loading...

Fibroblast growth factor

AlphaFold DB (Q9ERW3), UniProt , Accession A0A061HXY7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Fgf13, Length 245 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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 123.2 ms (Link to these results)