A0A087XKM8_POEFO Loading...

TAFA chemokine like family member 1

AlphaFold DB , UniProt , Accession A0A087XKM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 138 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.9Low65.7Low222 Ų222121.9 Ų121.9100%1.09466%0.657SS**  076.20-66.3161.8124.600108.9
2C53.8Low67Low107 Ų107118.2 Ų118.272%0.72365%0.646SS**  trans-140.70.9178.7-62.40000117.1
3P56.7Low68.2Low91 Ų91117.6 Ų117.659%0.59164%0.641SS**SBendtrans-88.1-23.4-179.432.5-32.5000114.2
4V59.7Low69.3Low105 Ų105122.6 Ų122.664%0.63665%0.646SS**Hα-helixtrans-76.6-33-174.5-89.50000114S6 W7 L8V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.07Å; V4-W7 PolarHBondContact O-N 3.47Å; V4-L8 PolarHBondContact O-N 2.93Å
5M59.6Low70.6Confident136 Ų136120.9 Ų120.967%0.6764%0.642SS**Hα-helixtrans-70.5-28.1177.6-71159.767.400112.3L9M5-L9 WeakPolarHBondContact O-CG 3.43Å; M5-L9 PolarHBondContact O-N 3.49Å
6S66.7Low71.6Confident76 Ų76117.5 Ų117.553%0.53163%0.631SS.*Hα-helixtrans-71.6-37.3177.4-178.90000112.1V4 C10V4-S6 VanDerWaalsContact C-N 3.3Å; V4-S6 PolarHBondContact O-N 3.07Å; S6-C10 WeakPolarHBondContact O-CB 3.37Å; S6-C10 PolarHBondContact O-N 3.03Å; S6-C10 VanDerWaalsContact O-N 3.09Å
7W66.6Low72.3Confident198 Ų198116.2 Ų116.275%0.7562%0.623SS**Hα-helixtrans-69.2-39.7178-82.553.1000112.6V4 C10 L11V4-W7 PolarHBondContact O-N 3.47Å; W7-C10 PolarHBondContact O-N 3.39Å; W7-L11 WeakPolarHBondContact O-CG 3.37Å; W7-L11 PolarHBondContact O-N 3.5Å
8L74.3Confident72.9Confident111 Ų111113.8 Ų113.858%0.58161%0.613SS**Hα-helixtrans-64.3-42.1177-71.4167.3000111.8V4 C10 L11 C12V4-L8 PolarHBondContact O-N 2.93Å; L8-C10 VanDerWaalsContact C-N 3.34Å; L8-C10 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-C12 PolarHBondContact O-N 2.88Å; L8-C12 PolarHBondContact O-SG 3.41Å
9L74.1Confident73.5Confident117 Ų117110.5 Ų110.561%0.61360%0.603SS**Hα-helixtrans-64.7-38.9175.6-70.2170.9000112M5 C12 L13M5-L9 WeakPolarHBondContact O-CG 3.43Å; M5-L9 PolarHBondContact O-N 3.49Å; L9-C12 PolarHBondContact O-N 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 2.95Å
10C77.8Confident74Confident72 Ų72110.2 Ų110.249%0.48660%0.599SS.*Hα-helixtrans-66.7-41.4177.9-145.90000111.8S6 W7 L8 L13 W14S6-C10 WeakPolarHBondContact O-CB 3.37Å; S6-C10 PolarHBondContact O-N 3.03Å; S6-C10 VanDerWaalsContact O-N 3.09Å; W7-C10 PolarHBondContact O-N 3.39Å; L8-C10 VanDerWaalsContact C-N 3.34Å; L8-C10 PolarHBondContact O-N 2.97Å; C10-L13 PolarHBondContact O-N 3.41Å; C10-W14 WeakPolarHBondContact O-CB 3.48Å; C10-W14 PolarHBondContact O-N 3.33Å
11L80.1Confident74.1Confident106 Ų106111 Ų11156%0.55560%0.599SS**Hα-helixtrans-62.4-44.7173.8-75.4168.2000111.8W7 L8 L13 W14 V15W7-L11 WeakPolarHBondContact O-CG 3.37Å; W7-L11 PolarHBondContact O-N 3.5Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-W14 PolarHBondContact O-N 3.41Å; L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.98Å
12C80.4Confident75.3Confident77 Ų77106.1 Ų106.152%0.5258%0.577SS.*Hα-helixtrans-60.8-45.7177.3-68.90000111.9L8 L9 W14 V15 S16L8-C12 PolarHBondContact O-N 2.88Å; L8-C12 PolarHBondContact O-SG 3.41Å; L9-C12 PolarHBondContact O-N 3.32Å; C12-W14 PolarHBondContact O-N 2.99Å; C12-V15 PolarHBondContact O-N 3.46Å; C12-S16 PolarHBondContact O-N 3.43Å; C12-S16 PolarHBondContact O-OG 3.39Å
13L82.6Confident76.3Confident111 Ų111105.1 Ų105.158%0.58157%0.57SS**Hα-helixtrans-63.5-40.3178.2-71.1169.2000112L9 C10 L11 S16 I17L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 2.95Å; C10-L13 PolarHBondContact O-N 3.41Å; L11-L13 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-N 3.48Å; L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.38Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.21Å
14W83.4Confident77.1Confident188 Ų188105.7 Ų105.771%0.71257%0.565SS**Hα-helixtrans-62.7-43.4174.5-10048.4000112.7C10 L11 C12 I17 T18C10-W14 WeakPolarHBondContact O-CB 3.48Å; C10-W14 PolarHBondContact O-N 3.33Å; L11-W14 PolarHBondContact O-N 3.41Å; C12-W14 PolarHBondContact O-N 2.99Å; W14-I17 PolarHBondContact O-N 3.5Å; W14-T18 WeakPolarHBondContact O-CB 3.28Å; W14-T18 VanDerWaalsContact O-CG2 3.31Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.07Å; W14-T18 PolarHBondContact O-OG1 3.46Å
15V88.8Confident77.6Confident96 Ų96103.5 Ų103.558%0.58256%0.558SS**Hα-helixtrans-64.7-41177.2173.90000111L11 C12 T18 A19L11-V15 VanDerWaalsContact O-CG2 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 2.98Å; C12-V15 PolarHBondContact O-N 3.46Å; V15-T18 WeakPolarHBondContact CA-OG1 3.48Å; V15-T18 PolarHBondContact O-OG1 3.4Å; V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.94Å
16S86.6Confident77.9Confident67 Ų67101 Ų10147%0.46955%0.55SS.*Hα-helixtrans-64.5-43.5176.3-56.90000112.4C12 L13 A19 I20C12-S16 PolarHBondContact O-N 3.43Å; C12-S16 PolarHBondContact O-OG 3.39Å; L13-S16 PolarHBondContact O-N 3.48Å; S16-A19 PolarHBondContact O-N 3.48Å; S16-I20 WeakPolarHBondContact O-CD1 3.47Å; S16-I20 VanDerWaalsContact O-CG1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.32Å
17I84.9Confident77.8Confident96 Ų96103.8 Ų103.849%0.49255%0.553SS.*Hα-helixtrans-66-43.1179.8-69.5166.5000111L13 W14 A19 I20 Q21L13-I17 WeakPolarHBondContact O-CB 3.46Å; L13-I17 WeakPolarHBondContact O-CD1 3.38Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 3.21Å; W14-I17 PolarHBondContact O-N 3.5Å; I17-A19 PolarHBondContact O-N 3.31Å; I17-I20 PolarHBondContact O-N 3.24Å; I17-Q21 WeakPolarHBondContact O-CG 3.22Å; I17-Q21 PolarHBondContact O-N 3.2Å
18T82.5Confident77.6Confident72 Ų72101.7 Ų101.744%0.44255%0.546SS..Hα-helixtrans-64.4-39.2177.550.10000111.9W14 V15 Q21 L22W14-T18 WeakPolarHBondContact O-CB 3.28Å; W14-T18 VanDerWaalsContact O-CG2 3.31Å; W14-T18 WeakPolarHBondContact O-CG2 3.46Å; W14-T18 PolarHBondContact O-N 3.07Å; W14-T18 PolarHBondContact O-OG1 3.46Å; V15-T18 WeakPolarHBondContact CA-OG1 3.48Å; V15-T18 PolarHBondContact O-OG1 3.4Å; T18-Q21 PolarHBondContact O-N 3.37Å; T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 WeakPolarHBondContact O-CG 3.18Å; T18-L22 PolarHBondContact O-N 3.46Å
19A83.8Confident76.8Confident52 Ų52101.6 Ų101.643%0.4355%0.546SS..Hα-helixtrans-62.9-41.5173.900000112.6V15 S16 I17 L22 C23V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.94Å; S16-A19 PolarHBondContact O-N 3.48Å; I17-A19 PolarHBondContact O-N 3.31Å; A19-L22 PolarHBondContact O-N 3Å; A19-C23 PolarHBondContact O-N 3.09Å
20I83Confident76Confident103 Ų103100.6 Ų100.653%0.52855%0.545SS..Hα-helixtrans-65.6-42.2177.2-67164.1000110.9S16 I17 C23 Q24S16-I20 WeakPolarHBondContact O-CD1 3.47Å; S16-I20 VanDerWaalsContact O-CG1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.47Å; S16-I20 PolarHBondContact O-N 3.32Å; I17-I20 PolarHBondContact O-N 3.24Å; I20-C23 PolarHBondContact O-N 3.42Å; I20-Q24 HydrophobicContact CG2-CG 4.37Å; I20-Q24 WeakPolarHBondContact O-CG 3.44Å; I20-Q24 PolarHBondContact O-N 2.95Å
21Q77.9Confident75Confident129 Ų129102.4 Ų102.460%0.60355%0.549SS*.Hα-helixtrans-64.4-40177-73.4-70.5-18.400112.2I17 T18 Q24 A25I17-Q21 WeakPolarHBondContact O-CG 3.22Å; I17-Q21 PolarHBondContact O-N 3.2Å; T18-Q21 PolarHBondContact O-N 3.37Å; Q21-Q24 PolarHBondContact O-N 2.98Å; Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.32Å
22L78.3Confident73.5Confident119 Ų119104.6 Ų104.662%0.62356%0.556SS**Hα-helixtrans-64.1-43.3174.1-77.7160.1000111.8T18 A19 Q24 A25 T26T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 WeakPolarHBondContact O-CG 3.18Å; T18-L22 PolarHBondContact O-N 3.46Å; A19-L22 PolarHBondContact O-N 3Å; L22-Q24 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 3.48Å; L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 3.43Å; L22-T26 PolarHBondContact O-OG1 3.02Å
23C74.1Confident71.9Confident86 Ų86107.9 Ų107.958%0.58156%0.564SS**Hα-helixtrans-60.2-45.7174-96.40000112.1A19 I20 A25 T26 F27A19-C23 PolarHBondContact O-N 3.09Å; I20-C23 PolarHBondContact O-N 3.42Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.4Å; C23-T26 WeakPolarHBondContact CA-OG1 3.37Å; C23-T26 PolarHBondContact O-N 3.4Å; C23-T26 PolarHBondContact O-OG1 3.29Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 3.37Å
24Q74.4Confident70.4Confident102 Ų102111.5 Ų111.548%0.47758%0.578SS.*Hα-helixtrans-60.2-45177.2-68.2-106.2-18.300110.9I20 Q21 L22 T26 F27 Y28I20-Q24 HydrophobicContact CG2-CG 4.37Å; I20-Q24 WeakPolarHBondContact O-CG 3.44Å; I20-Q24 PolarHBondContact O-N 2.95Å; Q21-Q24 PolarHBondContact O-N 2.98Å; L22-Q24 PolarHBondContact O-N 3.47Å; Q24-T26 PolarHBondContact O-N 2.98Å; Q24-F27 PolarHBondContact O-N 2.97Å; Q24-Y28 VanDerWaalsContact O-CD2 3.28Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.33Å; Q24-Y28 PolarHBondContact O-N 2.76Å
25A69.7Low68.5Low59 Ų59107.2 Ų107.249%0.48857%0.574SS.*Hα-helixtrans-61-44.2177.100000112.5Q21 L22 C23 F27 Y28 D29Q21-A25 WeakPolarHBondContact O-CB 3.38Å; Q21-A25 PolarHBondContact O-N 3.32Å; L22-A25 PolarHBondContact O-N 3.48Å; C23-A25 VanDerWaalsContact C-N 3.34Å; C23-A25 PolarHBondContact O-N 3.4Å; A25-F27 VanDerWaalsContact C-N 3.31Å; A25-F27 PolarHBondContact O-N 2.97Å; A25-Y28 PolarHBondContact O-N 2.83Å; A25-D29 WeakPolarHBondContact O-CB 3.36Å; A25-D29 PolarHBondContact O-N 3.29Å
26T66.8Low66.6Low84 Ų84106.5 Ų106.552%0.51559%0.586SS.*Hα-helixtrans-63.5-35.7175.556.40000112.9L22 C23 Q24 T30L22-T26 WeakPolarHBondContact O-CG2 3.49Å; L22-T26 PolarHBondContact O-N 3.43Å; L22-T26 PolarHBondContact O-OG1 3.02Å; C23-T26 WeakPolarHBondContact CA-OG1 3.37Å; C23-T26 PolarHBondContact O-N 3.4Å; C23-T26 PolarHBondContact O-OG1 3.29Å; Q24-T26 PolarHBondContact O-N 2.98Å; T26-T30 PolarHBondContact O-N 3.04Å; T26-T30 PolarHBondContact O-OG1 3.35Å
27F64.1Low64.3Low134 Ų134109.9 Ų109.959%0.58860%0.604SS**Hα-helixtrans-71-42.4179-170.5-98.5000111.6C23 Q24 A25 D29 T30 I31C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 3.37Å; Q24-F27 PolarHBondContact O-N 2.97Å; A25-F27 VanDerWaalsContact C-N 3.31Å; A25-F27 PolarHBondContact O-N 2.97Å; F27-D29 VanDerWaalsContact C-N 3.35Å; F27-D29 PolarHBondContact O-N 3.45Å; F27-T30 PolarHBondContact O-N 3Å; F27-I31 HydrophobicContact CD1-CG1 4.23Å; F27-I31 HydrophobicContact CE1-CD1 4.25Å; F27-I31 HydrophobicContact CE1-CG1 3.94Å; F27-I31 HydrophobicContact CZ-CD1 4.26Å; F27-I31 HydrophobicContact CZ-CG1 4.34Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.99Å
28Y61.6Low62.4Low155 Ų155117 Ų11761%0.60862%0.624SS**Hα-helixtrans-63.2-39.6174.1-87.1-73.6000112.3Q24 A25 T30 I31 Q32Q24-Y28 VanDerWaalsContact O-CD2 3.28Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.33Å; Q24-Y28 PolarHBondContact O-N 2.76Å; A25-Y28 PolarHBondContact O-N 2.83Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.94Å; Y28-I31 PolarHBondContact O-N 2.73Å; Y28-Q32 PolarHBondContact O-N 3.26Å
29D57.2Low60.4Low109 Ų109119.5 Ų119.558%0.58364%0.642SS**Hα-helixtrans-66.3-33.3176.5-154.926.6000111.8A25 F27A25-D29 WeakPolarHBondContact O-CB 3.36Å; A25-D29 PolarHBondContact O-N 3.29Å; F27-D29 VanDerWaalsContact C-N 3.35Å; F27-D29 PolarHBondContact O-N 3.45Å
30T57.3Low58.5Low96 Ų96120.9 Ų120.959%0.58966%0.661SS**Hα-helixtrans-69.3-36174-49.70000112.2T26 F27 Y28T26-T30 PolarHBondContact O-N 3.04Å; T26-T30 PolarHBondContact O-OG1 3.35Å; F27-T30 PolarHBondContact O-N 3Å; Y28-T30 VanDerWaalsContact C-N 3.3Å; Y28-T30 PolarHBondContact O-N 2.94Å
31I57.3Low56.5Low109 Ų109127 Ų12756%0.55968%0.678SS**Hα-helixtrans-75.1-30179.2-65.7-77.3000111.7F27 Y28 Q33F27-I31 HydrophobicContact CD1-CG1 4.23Å; F27-I31 HydrophobicContact CE1-CD1 4.25Å; F27-I31 HydrophobicContact CE1-CG1 3.94Å; F27-I31 HydrophobicContact CZ-CD1 4.26Å; F27-I31 HydrophobicContact CZ-CG1 4.34Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 2.99Å; Y28-I31 PolarHBondContact O-N 2.73Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.77Å
32Q48.2Very low54.6Low153 Ų153126.9 Ų126.972%0.71569%0.686SS**THydrogen-bonded Turntrans-81.5-2.3179.5-74.9-154.6-33.900115Y28 H34 P35Y28-Q32 PolarHBondContact O-N 3.26Å; Q32-H34 PolarHBondContact O-N 3.06Å; Q32-H34 VanDerWaalsContact O-N 3.07Å; Q32-P35 WeakPolarHBondContact O-CD 3.27Å
33Q46.8Very low52.7Low145 Ų145127 Ų12768%0.67869%0.692SS**  trans-76.119177.3-82.4-175.6-12.900115.8I31I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.77Å
34H52Low51.2Low188 Ų188128.9 Ų128.987%0.8770%0.695SS**  trans-100.776.1159.2-73.8-51000112.5Q32Q32-H34 PolarHBondContact O-N 3.06Å; Q32-H34 VanDerWaalsContact O-N 3.07Å
35P43.6Very low49.7Very low98 Ų98130.3 Ų130.364%0.63670%0.701SS**SBendtrans-126.5128142.314.97.3000109.7Q32Q32-P35 WeakPolarHBondContact O-CD 3.27Å
36G49Very low48.4Very low80 Ų80132.7 Ų132.783%0.82571%0.71SS**  trans-53.6142.9-174.500000114.9
37T38.8Very low47.6Very low138 Ų138132.3 Ų132.385%0.84770%0.704SS**  trans-156.8128.8151.64.60000109.8
38R43.7Very low47.7Very low246 Ų246134.7 Ų134.793%0.92872%0.717SS**  trans-61145.9172.4-68.6174.5176.8-177.2-0.8110.6
39P41.3Very low48.3Very low124 Ų124127.5 Ų127.581%0.80569%0.69SS**  -131.8129.7125.120.3-1.5000111R41P39-R41 PolarHBondContact O-N 3.02Å
40G42.6Very low49.7Very low82 Ų82123.1 Ų123.185%0.84567%0.671SS**  trans-71.9119.8176.700000111.8
41R41.2Very low51.3Low231 Ų231122.5 Ų122.587%0.87267%0.667SS**SBendtrans-172.6111.9142.6-155.3152.3-178.9144.5-1.7108.3P39P39-R41 PolarHBondContact O-N 3.02Å
42T39.3Very low53Low126 Ų126119 Ų11977%0.77365%0.652SS**  trans47.581.9172.224.20000114.3I44T42-I44 PolarHBondContact O-N 3.38Å
43T38Very low55.1Low122 Ų122118.2 Ų118.275%0.74865%0.648SS**  trans-63.685.6157.850.10000108.5H45T43-H45 PolarHBondContact O-N 3.48Å
44I43Very low57.2Low125 Ų125113.9 Ų113.964%0.64163%0.631SS**  trans-67.288.1145.4-60-179.4000103.1T42 T46T42-I44 PolarHBondContact O-N 3.38Å; I44-T46 PolarHBondContact O-N 2.84Å
45H42.9Very low59.3Low133 Ų133109.7 Ų109.762%0.61661%0.614SS**  trans-64.191.4157.2-93.9-96.2000104.4T43 I47T43-H45 PolarHBondContact O-N 3.48Å; H45-I47 HydrophobicContact CB-CG1 4.09Å; H45-I47 PolarHBondContact O-N 3.08Å
46T42.1Very low61.6Low109 Ų109106.5 Ų106.567%0.66960%0.597SS**  trans-6776.8160.4-23.20000105.2I44 E48I44-T46 PolarHBondContact O-N 2.84Å; T46-E48 PolarHBondContact O-N 3.12Å
47I49.3Very low63.6Low76 Ų76105.8 Ų105.839%0.3958%0.582SS.*  trans-66.4112.9160.6-54.5178.9000102.6H45 G49H45-I47 HydrophobicContact CB-CG1 4.09Å; H45-I47 PolarHBondContact O-N 3.08Å; I47-G49 PolarHBondContact O-N 3.03Å
48E65.8Low66Low183 Ų183105.1 Ų105.186%0.85557%0.57SS**THydrogen-bonded Turntrans-41.4100.4-179.3-63-172.7145.300110.7T46T46-E48 PolarHBondContact O-N 3.12Å
49G74.8Confident68.2Low4 Ų4101.8 Ų101.84%0.04156%0.557CS.*THydrogen-bonded Turntrans151.4-14.8-17400000117.4I47 C77 L78 C92I47-G49 PolarHBondContact O-N 3.03Å; G49-C77 CarbonylContact O-C 3.55Å; G49-C77 WeakPolarHBondContact O-CA 3.42Å; G49-L78 PolarHBondContact O-N 2.95Å; G49-C92 WeakPolarHBondContact O-CB 3.47Å
50G86.4Confident70.3Confident18 Ų1899 Ų9919%0.18654%0.54CS..EExtended strand (participates in β ladder)trans145.7-165.3174.200000114.8S76G50-S76 CarbonylContact C-O 3.57Å; G50-S76 WeakPolarHBondContact CA-O 3.45Å
51T91.1Very high72.4Confident82 Ų8299.8 Ų99.850%0.50353%0.531SS..EExtended strand (participates in β ladder)trans-122.9136.2179.158.30000111.3C75 S76T51-C75 CarbonylContact O-C 3.57Å; T51-C75 VanDerWaalsContact O-CA 3.26Å; T51-C75 WeakPolarHBondContact O-CA 3.45Å; T51-S76 PolarHBondContact N-O 2.79Å; T51-S76 PolarHBondContact O-N 2.79Å
52C92.6Very high74.4Confident36 Ų3693 Ų9324%0.24351%0.512CS..EExtended strand (participates in β ladder)trans-130.3136.8172.4-70.40000111.1V73 K74 C75 P90C52-V73 HydrophobicContact CB-CG1 4.28Å; C52-K74 CarbonylContact C-O 3.58Å; C52-K74 WeakPolarHBondContact CA-O 3.47Å; C52-C75 HydrophobicContact CB-CB 4.19Å; C52-C75 WeakPolarHBondContact CB-SG 3.46Å; C52-C75 WeakPolarHBondContact SG-CB 3.39Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 2.89Å; C52-P90 HydrophobicContact CB-CB 3.93Å; C52-P90 HydrophobicContact CB-CG 4.32Å
53E92.4Very high76.4Confident136 Ų13696.7 Ų96.764%0.63652%0.518SS*.EExtended strand (participates in β ladder)trans-132.6135.6-179.7-174.9177.1-166.800110.6I55 V73 K74E53-I55 PolarHBondContact O-N 2.79Å; E53-V73 CarbonylContact O-C 3.54Å; E53-V73 WeakPolarHBondContact O-CA 3.4Å; E53-K74 PolarHBondContact N-O 3.04Å; E53-K74 PolarHBondContact O-N 2.65Å
54V91.9Very high78.7Confident54 Ų5496.9 Ų96.933%0.32751%0.514SS..EExtended strand (participates in β ladder)trans-79.2108.6171.1-178.60000108A56 A57 Q71 T72 V73 P90V54-A56 WeakPolarHBondContact CG1-O 3.36Å; V54-A57 HydrophobicContact CG1-CB 4.29Å; V54-Q71 HydrophobicContact CG1-CB 4.18Å; V54-Q71 HydrophobicContact CG1-CG 4.34Å; V54-T72 CarbonylContact C-O 3.52Å; V54-V73 HydrophobicContact CG2-CG2 4.25Å; V54-P90 HydrophobicContact CG2-CG 3.84Å
55I94.8Very high80.4Confident100 Ų100102.2 Ų102.251%0.51353%0.526SS..EExtended strand (participates in β ladder)trans-91.6-21.3-176.760.7168.4000113.1E53 T72 K74E53-I55 PolarHBondContact O-N 2.79Å; I55-T72 HydrophobicContact CD1-CG2 3.79Å; I55-T72 HydrophobicContact CG1-CG2 3.79Å; I55-T72 WeakPolarHBondContact CG1-O 3.26Å; I55-T72 PolarHBondContact N-O 2.87Å; I55-K74 HydrophobicContact CD1-CB 4.36Å; I55-K74 HydrophobicContact CG2-CB 3.75Å
56A91.9Very high82.2Confident32 Ų32100.6 Ų100.626%0.26452%0.521SS..EExtended strand (participates in β ladder)trans-148.4147.4172.400000110.1V54 Q71 T72V54-A56 WeakPolarHBondContact CG1-O 3.36Å; A56-Q71 CarbonylContact O-C 3.55Å; A56-Q71 WeakPolarHBondContact O-CA 3.21Å; A56-T72 PolarHBondContact N-O 2.97Å; A56-T72 PolarHBondContact O-N 2.84Å
57A90.8Very high84.2Confident64 Ų64100.4 Ų100.453%0.52951%0.512SS..EExtended strand (participates in β ladder)trans-143.2128.317500000109.9V54 S70 Q71V54-A57 HydrophobicContact CG1-CB 4.29Å; A57-S70 CarbonylContact C-O 3.53Å; A57-S70 WeakPolarHBondContact CA-O 3.03Å; A57-Q71 HydrophobicContact CB-CG 4.23Å
58H90.4Very high85.8Confident125 Ų125102.2 Ų102.258%0.57952%0.519SS*.EExtended strand (participates in β ladder)trans-122.8139.5174.6-66.9-77000109.4S70H58-S70 PolarHBondContact N-O 2.94Å; H58-S70 PolarHBondContact O-N 2.84Å; H58-S70 VanDerWaalsContact O-O 3.14Å
59R89.3Confident86.6Confident176 Ų176100.7 Ų100.766%0.66451%0.506SS*.EExtended strand (participates in β ladder)trans-121.6117.2175.6-170.4-179.9-173.7-174.20.2107.3E67 E68R59-E67 HydrophobicContact CG-CG 4.25Å; R59-E67 IonicContact CZ-OE1 2.65Å; R59-E67 IonicContact CZ-OE2 3.71Å; R59-E67 IonicContact NE-OE1 3.94Å; R59-E67 PolarHBondContact NE-OE1 2.88Å; R59-E67 IonicContact NE-OE2 3.03Å; R59-E67 IonicContact NH2-OE1 2.83Å; R59-E67 PolarHBondContact NH2-OE1 3.27Å; R59-E67 IonicContact NH2-OE2 2.76Å; R59-E67 PolarHBondContact NH2-OE2 3.02Å; R59-E68 WeakPolarHBondContact CA-O 3.01Å
60C86.4Confident87.1Confident66 Ų66103.1 Ų103.145%0.44652%0.522SS..EExtended strand (participates in β ladder)trans-118.7155.2179.4-68.30000109.1E68C60-E68 HydrophobicContact CB-CB 4.41Å; C60-E68 PolarHBondContact N-O 3.19Å; C60-E68 PolarHBondContact O-N 2.83Å
61C86.4Confident87.2Confident98 Ų98105.8 Ų105.866%0.66253%0.529SS*.EExtended strand (participates in β ladder)trans-123.1125.4171.3-66.10000108.1I66C61-I66 WeakPolarHBondContact CA-O 3.47Å
62N83.4Confident87.1Confident88 Ų88105.5 Ų105.547%0.47153%0.528SS..  trans-77.3161.4172.3-169.2-4.1000110.3N64 R65 I66N62-N64 PolarHBondContact O-N 3.46Å; N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 PolarHBondContact O-N 3.17Å; N62-I66 HydrophobicContact CB-CB 4.41Å; N62-I66 PolarHBondContact N-O 2.96Å
63K81.4Confident87Confident204 Ų204106.6 Ų106.689%0.88753%0.533SS*.THydrogen-bonded Turntrans-50.2-28.7176.1-69.6-177.1179.3178.10113.4R65K63-R65 PolarHBondContact O-N 2.93Å
64N85.5Confident87.1Confident125 Ų125106.5 Ų106.567%0.66853%0.531SS*.THydrogen-bonded Turntrans-80.512.2176.1-64.4-15000114N62 I66N62-N64 PolarHBondContact O-N 3.46Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.01Å; N64-I66 PolarHBondContact O-N 2.68Å; N64-I66 VanDerWaalsContact O-N 3.17Å
65R79.7Confident87.2Confident237 Ų237105.7 Ų105.789%0.89453%0.527SS*.  trans55.426.3-172.4-56.2-176.8-177.9153.50.4113.7N62 K63 E67N62-R65 WeakPolarHBondContact O-CA 3.39Å; N62-R65 PolarHBondContact O-N 3.17Å; K63-R65 PolarHBondContact O-N 2.93Å; R65-E67 PolarHBondContact O-N 2.99Å
66I79.4Confident87.2Confident100 Ų100104.3 Ų104.351%0.51353%0.526SS..  trans-79.7118.8170.6-59.1171.4000106.6C61 N62 N64C61-I66 WeakPolarHBondContact CA-O 3.47Å; N62-I66 HydrophobicContact CB-CB 4.41Å; N62-I66 PolarHBondContact N-O 2.96Å; N64-I66 HydrophobicContact CB-CD1 3.99Å; N64-I66 HydrophobicContact CB-CG1 4.01Å; N64-I66 PolarHBondContact O-N 2.68Å; N64-I66 VanDerWaalsContact O-N 3.17Å
67E83.5Confident87.3Confident104 Ų104104.8 Ų104.849%0.48653%0.527SS..EExtended strand (participates in β ladder)trans-78.3119.5173.1-174.5-175.7152.800109.3R59 R65R59-E67 HydrophobicContact CG-CG 4.25Å; R59-E67 IonicContact CZ-OE1 2.65Å; R59-E67 IonicContact CZ-OE2 3.71Å; R59-E67 IonicContact NE-OE1 3.94Å; R59-E67 PolarHBondContact NE-OE1 2.88Å; R59-E67 IonicContact NE-OE2 3.03Å; R59-E67 IonicContact NH2-OE1 2.83Å; R59-E67 PolarHBondContact NH2-OE1 3.27Å; R59-E67 IonicContact NH2-OE2 2.76Å; R59-E67 PolarHBondContact NH2-OE2 3.02Å; R65-E67 PolarHBondContact O-N 2.99Å
68E83.8Confident87.4Confident115 Ų115106.7 Ų106.754%0.53753%0.528SS..EExtended strand (participates in β ladder)trans-106.9125.3175.9-172.8173.1-178.100109.2R59 C60R59-E68 WeakPolarHBondContact CA-O 3.01Å; C60-E68 HydrophobicContact CB-CB 4.41Å; C60-E68 PolarHBondContact N-O 3.19Å; C60-E68 PolarHBondContact O-N 2.83Å
69R82.8Confident87.6Confident150 Ų150107 Ų10757%0.56654%0.541SS*.EExtended strand (participates in β ladder)trans-116.5108.2179.3-171.2-176.3-168.7-164.94.7108.8Q71R69-Q71 HydrophobicContact CG-CG 4.39Å
70S85.4Confident87.7Confident55 Ų55101.1 Ų101.139%0.38554%0.535SS..EExtended strand (participates in β ladder)trans-99.7130.8175.3-45.50000108.8A57 H58A57-S70 CarbonylContact C-O 3.53Å; A57-S70 WeakPolarHBondContact CA-O 3.03Å; H58-S70 PolarHBondContact N-O 2.94Å; H58-S70 PolarHBondContact O-N 2.84Å; H58-S70 VanDerWaalsContact O-O 3.14Å
71Q88.2Confident88Confident74 Ų74101.1 Ų101.135%0.34653%0.528SS..EExtended strand (participates in β ladder)trans-129.3134.4175-65.1-172.3-46.500108.8V54 A56 A57 R69 V73V54-Q71 HydrophobicContact CG1-CB 4.18Å; V54-Q71 HydrophobicContact CG1-CG 4.34Å; A56-Q71 CarbonylContact O-C 3.55Å; A56-Q71 WeakPolarHBondContact O-CA 3.21Å; A57-Q71 HydrophobicContact CB-CG 4.23Å; R69-Q71 HydrophobicContact CG-CG 4.39Å; Q71-V73 HydrophobicContact CB-CG2 4.44Å
72T89.6Confident88.3Confident77 Ų7799 Ų9947%0.47251%0.512SS..EExtended strand (participates in β ladder)trans-98.9125.5167.7-49.70000107.5V54 I55 A56V54-T72 CarbonylContact C-O 3.52Å; I55-T72 HydrophobicContact CD1-CG2 3.79Å; I55-T72 HydrophobicContact CG1-CG2 3.79Å; I55-T72 WeakPolarHBondContact CG1-O 3.26Å; I55-T72 PolarHBondContact N-O 2.87Å; A56-T72 PolarHBondContact N-O 2.97Å; A56-T72 PolarHBondContact O-N 2.84Å
73V91.1Very high88.8Confident58 Ų5897.8 Ų97.835%0.35251%0.514SS..EExtended strand (participates in β ladder)trans-119.8134.6-174.1179.30000108.9C52 E53 V54 Q71 P90C52-V73 HydrophobicContact CB-CG1 4.28Å; E53-V73 CarbonylContact O-C 3.54Å; E53-V73 WeakPolarHBondContact O-CA 3.4Å; V54-V73 HydrophobicContact CG2-CG2 4.25Å; Q71-V73 HydrophobicContact CB-CG2 4.44Å; V73-P90 HydrophobicContact CB-CB 4.32Å; V73-P90 HydrophobicContact CG1-CB 3.39Å; V73-P90 HydrophobicContact CG1-CG 3.91Å; V73-P90 HydrophobicContact CG2-CB 4Å; V73-P90 HydrophobicContact CG2-CG 4.21Å
74K93.6Very high89.3Confident134 Ų13489.2 Ų89.258%0.58348%0.483SS*.EExtended strand (participates in β ladder)trans-105.8123169-176.7175.6179.5-179.50108.8C52 E53 I55C52-K74 CarbonylContact C-O 3.58Å; C52-K74 WeakPolarHBondContact CA-O 3.47Å; E53-K74 PolarHBondContact N-O 3.04Å; E53-K74 PolarHBondContact O-N 2.65Å; I55-K74 HydrophobicContact CD1-CB 4.36Å; I55-K74 HydrophobicContact CG2-CB 3.75Å
75C93.7Very high89.6Confident37 Ų3784.2 Ų84.225%0.2546%0.457CS..EExtended strand (participates in β ladder)trans-119147.3176-68.80000111.3T51 C52 A83T51-C75 CarbonylContact O-C 3.57Å; T51-C75 VanDerWaalsContact O-CA 3.26Å; T51-C75 WeakPolarHBondContact O-CA 3.45Å; C52-C75 HydrophobicContact CB-CB 4.19Å; C52-C75 WeakPolarHBondContact CB-SG 3.46Å; C52-C75 WeakPolarHBondContact SG-CB 3.39Å; C52-C75 CovalentContact SG-SG 2.05Å; C52-C75 PolarHBondContact SG-SG 2.89Å; C75-A83 HydrophobicContact CB-CB 3.99Å
76S94.6Very high90.3Very high71 Ų7174.3 Ų74.350%0.49742%0.423SS..EExtended strand (participates in β ladder)trans-127.993.2169.1-60.70000107.1G50 T51G50-S76 CarbonylContact C-O 3.57Å; G50-S76 WeakPolarHBondContact CA-O 3.45Å; T51-S76 PolarHBondContact N-O 2.79Å; T51-S76 PolarHBondContact O-N 2.79Å
77C94.4Very high90.9Very high42 Ų4276.1 Ų76.128%0.28442%0.424SS..EExtended strand (participates in β ladder)trans-96147.4-176.7-58.30000111.6G49 K81 V82 C92G49-C77 CarbonylContact O-C 3.55Å; G49-C77 WeakPolarHBondContact O-CA 3.42Å; C77-K81 HydrophobicContact CB-CB 4.02Å; C77-V82 VanDerWaalsContact SG-C 3.57Å; C77-C92 WeakPolarHBondContact CA-SG 3.23Å; C77-C92 HydrophobicContact CB-CB 3.81Å; C77-C92 WeakPolarHBondContact CB-SG 3.34Å; C77-C92 WeakPolarHBondContact SG-CB 3.29Å; C77-C92 CovalentContact SG-SG 2.05Å; C77-C92 PolarHBondContact SG-SG 3.39Å
78L93.4Very high91.2Very high104 Ų10474.6 Ų74.655%0.54542%0.419SS..PPolyproline II helixtrans-70.4160.9173.8-66177.1000111G49 G80 K81G49-L78 PolarHBondContact O-N 2.95Å; L78-G80 PolarHBondContact O-N 3.5Å; L78-K81 WeakPolarHBondContact O-CB 3.27Å; L78-K81 PolarHBondContact O-N 2.88Å
79P93.9Very high91.5Very high131 Ų13177.1 Ų77.185%0.85142%0.423SS*.THydrogen-bonded Turntrans-52.5135.2176.4-27.235.7000112.7K81P79-K81 VanDerWaalsContact C-N 3.28Å
80G90.9Very high92Very high53 Ų5371.6 Ų71.655%0.54641%0.407SS..THydrogen-bonded Turntrans84.2-5.5-175.800000114.8L78 A95L78-G80 PolarHBondContact O-N 3.5Å; G80-A95 WeakPolarHBondContact O-CB 3.45Å; G80-A95 PolarHBondContact O-N 3.08Å; G80-A95 VanDerWaalsContact O-N 3.08Å
81K93.4Very high92.3Very high67 Ų6769.2 Ų69.229%0.29139%0.39SS..EExtended strand (participates in β ladder)trans-113152.7175.4-57.8-63.1-175.2-168.10111.4C77 L78 P79 C92 V93 D94C77-K81 HydrophobicContact CB-CB 4.02Å; L78-K81 WeakPolarHBondContact O-CB 3.27Å; L78-K81 PolarHBondContact O-N 2.88Å; P79-K81 VanDerWaalsContact C-N 3.28Å; K81-C92 HydrophobicContact CB-CB 4.24Å; K81-V93 CarbonylContact C-O 3.47Å; K81-V93 WeakPolarHBondContact CA-O 3.33Å; K81-V93 WeakPolarHBondContact CB-O 3.38Å; K81-V93 WeakPolarHBondContact CD-O 3.37Å; K81-D94 IonicContact NZ-OD2 2.89Å; K81-D94 PolarHBondContact NZ-OD2 2.83Å
82V93.4Very high92.6Very high53 Ų5366.1 Ų66.132%0.32138%0.377SS..EExtended strand (participates in β ladder)trans-136.5163.7177.1-62.80000110.7C77 G84 C92 V93 A95 V98C77-V82 VanDerWaalsContact SG-C 3.57Å; V82-G84 PolarHBondContact O-N 3.11Å; V82-C92 CarbonylContact O-C 3.57Å; V82-C92 WeakPolarHBondContact O-CA 3.41Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å; V82-V93 PolarHBondContact N-O 2.81Å; V82-V93 PolarHBondContact O-N 2.84Å; V82-A95 HydrophobicContact CG1-CB 4.03Å; V82-A95 HydrophobicContact CG2-CB 4.48Å; V82-V98 HydrophobicContact CG2-CB 4.04Å; V82-V98 HydrophobicContact CG2-CG2 3.59Å
83A93.2Very high92.8Very high63 Ų6363 Ų6352%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-61.6133.1175.500000110.5C75C75-A83 HydrophobicContact CB-CB 3.99Å
84G92.9Very high92.9Very high23 Ų2362.8 Ų62.824%0.23735%0.354CS..EExtended strand (participates in β ladder)trans-152.6-157.3177.200000110.2V82 S91V82-G84 PolarHBondContact O-N 3.11Å; G84-S91 CarbonylContact C-O 3.53Å; G84-S91 PolarHBondContact N-O 2.03Å; G84-S91 PolarHBondContact O-N 2.06Å
85T91.6Very high92.9Very high20 Ų2057.5 Ų57.512%0.12334%0.336CS..EExtended strand (participates in β ladder)trans-141144.2177.4-177.40000110.5R89 S91 M106 P108 W124T85-R89 CarbonylContact C-O 3.58Å; T85-R89 VanDerWaalsContact CA-O 3.27Å; T85-R89 WeakPolarHBondContact CA-O 3.11Å; T85-R89 PolarHBondContact OG1-O 2.86Å; T85-R89 VanDerWaalsContact OG1-O 3.08Å; T85-S91 VanDerWaalsContact C-OG 3.29Å; T85-S91 WeakPolarHBondContact CA-OG 3.38Å; T85-M106 HydrophobicContact CG2-CE 3.52Å; T85-M106 HydrophobicContact CG2-SD 3.76Å; T85-M106 WeakPolarHBondContact O-CG 3.24Å; T85-P108 HydrophobicContact CG2-CB 3.7Å; T85-W124 HydrophobicContact CG2-CH2 3.53Å; T85-W124 HydrophobicContact CG2-CZ2 3.32Å
86T92.8Very high92.9Very high30 Ų3058.1 Ų58.118%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-140.3126.7176.2-56.40000107.2N88 R89 S91 M106T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 2.82Å; T86-R89 PolarHBondContact N-O 3.31Å; T86-R89 PolarHBondContact O-N 2.83Å; T86-R89 VanDerWaalsContact O-N 3.11Å; T86-S91 WeakPolarHBondContact CB-OG 3.05Å; T86-S91 PolarHBondContact N-OG 2.97Å; T86-S91 PolarHBondContact OG1-OG 2.83Å; T86-M106 PolarHBondContact OG1-O 3.39Å
87R93.1Very high92.8Very high138 Ų13855.7 Ų55.752%0.52132%0.321SS..THydrogen-bonded Turntrans49.951.8-179.3-59.4178.1-174.6-169.50.2112.9R89 E107 C109 L110R87-R89 PolarHBondContact O-N 3.34Å; R87-E107 PolarHBondContact N-O 2.91Å; R87-C109 WeakPolarHBondContact CA-O 3.06Å; R87-L110 HydrophobicContact CB-CD2 4.44Å; R87-L110 WeakPolarHBondContact O-CD2 3.41Å
88N90.1Very high92.7Very high71 Ų7155.9 Ų55.938%0.3832%0.321SS..THydrogen-bonded Turntrans56.929.6178.6-16638.8000113.9T86 P108 L110T86-N88 VanDerWaalsContact C-N 3.34Å; T86-N88 PolarHBondContact O-N 2.82Å; N88-P108 PolarHBondContact N-O 2.77Å; N88-L110 HydrophobicContact CB-CD2 4.01Å; N88-L110 HydrophobicContact CB-CG 4.05Å
89R90.1Very high92.6Very high168 Ų16857.7 Ų57.763%0.63433%0.33SS*.EExtended strand (participates in β ladder)trans-134.9145176.2-69.5-174.1175.6118.3-1.5110.3T85 T86 R87 S91T85-R89 CarbonylContact C-O 3.58Å; T85-R89 VanDerWaalsContact CA-O 3.27Å; T85-R89 WeakPolarHBondContact CA-O 3.11Å; T85-R89 PolarHBondContact OG1-O 2.86Å; T85-R89 VanDerWaalsContact OG1-O 3.08Å; T86-R89 PolarHBondContact N-O 3.31Å; T86-R89 PolarHBondContact O-N 2.83Å; T86-R89 VanDerWaalsContact O-N 3.11Å; R87-R89 PolarHBondContact O-N 3.34Å; R89-S91 PolarHBondContact O-N 3.14Å
90P92.6Very high92.6Very high34 Ų3452.9 Ų52.922%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-64.5138175.928.8-34.9000111.1C52 V54 V73C52-P90 HydrophobicContact CB-CB 3.93Å; C52-P90 HydrophobicContact CB-CG 4.32Å; V54-P90 HydrophobicContact CG2-CG 3.84Å; V73-P90 HydrophobicContact CB-CB 4.32Å; V73-P90 HydrophobicContact CG1-CB 3.39Å; V73-P90 HydrophobicContact CG1-CG 3.91Å; V73-P90 HydrophobicContact CG2-CB 4Å; V73-P90 HydrophobicContact CG2-CG 4.21Å
91S92.8Very high92.8Very high5 Ų555.2 Ų55.24%0.03530%0.3CS..EExtended strand (participates in β ladder)trans-148.6166-177.259.90000110.7G84 T85 T86 R89G84-S91 CarbonylContact C-O 3.53Å; G84-S91 PolarHBondContact N-O 2.03Å; G84-S91 PolarHBondContact O-N 2.06Å; T85-S91 VanDerWaalsContact C-OG 3.29Å; T85-S91 WeakPolarHBondContact CA-OG 3.38Å; T86-S91 WeakPolarHBondContact CB-OG 3.05Å; T86-S91 PolarHBondContact N-OG 2.97Å; T86-S91 PolarHBondContact OG1-OG 2.83Å; R89-S91 PolarHBondContact O-N 3.14Å
92C94Very high92.8Very high10 Ų1057.8 Ų57.87%0.06831%0.308CS..EExtended strand (participates in β ladder)trans-93.4123.3165.9-68.50000108.5G49 C77 K81 V82G49-C92 WeakPolarHBondContact O-CB 3.47Å; C77-C92 WeakPolarHBondContact CA-SG 3.23Å; C77-C92 HydrophobicContact CB-CB 3.81Å; C77-C92 WeakPolarHBondContact CB-SG 3.34Å; C77-C92 WeakPolarHBondContact SG-CB 3.29Å; C77-C92 CovalentContact SG-SG 2.05Å; C77-C92 PolarHBondContact SG-SG 3.39Å; K81-C92 HydrophobicContact CB-CB 4.24Å; V82-C92 CarbonylContact O-C 3.57Å; V82-C92 WeakPolarHBondContact O-CA 3.41Å
93V93.6Very high92.9Very high10 Ų1056 Ų566%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-118.7168.7-178-58.30000110.2K81 V82 A95 V98 M106K81-V93 CarbonylContact C-O 3.47Å; K81-V93 WeakPolarHBondContact CA-O 3.33Å; K81-V93 WeakPolarHBondContact CB-O 3.38Å; K81-V93 WeakPolarHBondContact CD-O 3.37Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å; V82-V93 PolarHBondContact N-O 2.81Å; V82-V93 PolarHBondContact O-N 2.84Å; V93-A95 PolarHBondContact O-N 3.35Å; V93-V98 HydrophobicContact CG2-CG2 4.01Å; V93-M106 HydrophobicContact CB-CB 4.45Å; V93-M106 HydrophobicContact CG1-CB 3.92Å
94D93.5Very high93.1Very high55 Ų5554.9 Ų54.929%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-62.8134.6176.8-154.4-83000112.2K81 S96 I97K81-D94 IonicContact NZ-OD2 2.89Å; K81-D94 PolarHBondContact NZ-OD2 2.83Å; D94-S96 PolarHBondContact O-N 3.27Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.06Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; D94-I97 HydrophobicContact CB-CD1 3.99Å; D94-I97 HydrophobicContact CB-CG1 4.14Å; D94-I97 WeakPolarHBondContact O-CB 3.36Å; D94-I97 PolarHBondContact O-N 2.81Å; D94-I97 VanDerWaalsContact O-N 3.15Å
95A92.8Very high93.2Very high23 Ų2359.5 Ų59.519%0.1930%0.299CS..Hα-helixtrans-58.5-33.2177.700000112.1G80 V82 V93 I97 V98 I99G80-A95 WeakPolarHBondContact O-CB 3.45Å; G80-A95 PolarHBondContact O-N 3.08Å; G80-A95 VanDerWaalsContact O-N 3.08Å; V82-A95 HydrophobicContact CG1-CB 4.03Å; V82-A95 HydrophobicContact CG2-CB 4.48Å; V93-A95 PolarHBondContact O-N 3.35Å; A95-I97 VanDerWaalsContact C-N 3.27Å; A95-I97 PolarHBondContact O-N 3.22Å; A95-V98 PolarHBondContact O-N 2.9Å; A95-I99 HydrophobicContact CB-CD1 4.26Å; A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.5Å; A95-I99 VanDerWaalsContact O-CG1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.82Å
96S93.2Very high93.2Very high49 Ų4959 Ų5934%0.34330%0.295SS..Hα-helixtrans-59.6-36178.359.40000112.9D94 I99 G100D94-S96 PolarHBondContact O-N 3.27Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.06Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.03Å; S96-I99 PolarHBondContact O-N 2.82Å; S96-G100 WeakPolarHBondContact O-CA 3.38Å; S96-G100 PolarHBondContact O-N 3.17Å
97I92.9Very high93.4Very high20 Ų2063 Ų6310%0.10331%0.312CS..Hα-helixtrans-63-45.7178.4-64.6170.3000110.6D94 A95 K101 W102 E105 M106D94-I97 HydrophobicContact CB-CD1 3.99Å; D94-I97 HydrophobicContact CB-CG1 4.14Å; D94-I97 WeakPolarHBondContact O-CB 3.36Å; D94-I97 PolarHBondContact O-N 2.81Å; D94-I97 VanDerWaalsContact O-N 3.15Å; A95-I97 VanDerWaalsContact C-N 3.27Å; A95-I97 PolarHBondContact O-N 3.22Å; I97-K101 CarbonylContact O-C 3.59Å; I97-K101 WeakPolarHBondContact O-CA 3.05Å; I97-K101 PolarHBondContact O-N 3.2Å; I97-W102 HydrophobicContact CG1-CE3 4.44Å; I97-W102 HydrophobicContact CG2-CB 4.26Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.03Å; I97-E105 HydrophobicContact CD1-CB 4.4Å; I97-E105 HydrophobicContact CG1-CB 4.37Å; I97-E105 HydrophobicContact CG2-CB 4.44Å; I97-M106 HydrophobicContact CG2-CB 4.25Å
98V91.9Very high93.5Very high47 Ų4756.5 Ų56.529%0.28529%0.287SS..Hα-helixtrans-73.2-40.4-179179.40000111.1V82 V93 A95 K101 W103V82-V98 HydrophobicContact CG2-CB 4.04Å; V82-V98 HydrophobicContact CG2-CG2 3.59Å; V93-V98 HydrophobicContact CG2-CG2 4.01Å; A95-V98 PolarHBondContact O-N 2.9Å; V98-K101 PolarHBondContact O-N 3.45Å; V98-W103 HydrophobicContact CB-CZ3 4.41Å; V98-W103 HydrophobicContact CG1-CH2 4.23Å; V98-W103 HydrophobicContact CG1-CZ3 4.11Å; V98-W103 HydrophobicContact CG2-CZ3 4.38Å
99I92.5Very high93.8Very high141 Ų14153.7 Ų53.772%0.72327%0.273SS*.Hα-helixtrans-64.2-44.8176.8-67.4165.9000110.7A95 S96 K101A95-I99 HydrophobicContact CB-CD1 4.26Å; A95-I99 WeakPolarHBondContact O-CB 3.44Å; A95-I99 WeakPolarHBondContact O-CD1 3.5Å; A95-I99 VanDerWaalsContact O-CG1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.82Å; S96-I99 PolarHBondContact O-N 2.82Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 2.97Å
100G93.4Very high94Very high31 Ų3149.1 Ų49.132%0.3226%0.261SS..Hα-helixtrans-75.8-10.9177.400000114S96 W102S96-G100 WeakPolarHBondContact O-CA 3.38Å; S96-G100 PolarHBondContact O-N 3.17Å; G100-W102 VanDerWaalsContact C-CD1 3.43Å; G100-W102 PolarHBondContact O-N 2.85Å; G100-W102 PolarHBondContact O-NE1 2.86Å; G100-W102 VanDerWaalsContact O-NE1 3.16Å
101K94.3Very high94.1Very high101 Ų10156.5 Ų56.544%0.43929%0.292SS..THydrogen-bonded Turntrans58.834.3-174.8-53.3-175.9177.7-174.20112.8I97 V98 I99 W103 N121I97-K101 CarbonylContact O-C 3.59Å; I97-K101 WeakPolarHBondContact O-CA 3.05Å; I97-K101 PolarHBondContact O-N 3.2Å; V98-K101 PolarHBondContact O-N 3.45Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 2.97Å; K101-W103 HydrophobicContact CB-CZ2 3.72Å; K101-W103 HydrophobicContact CD-CZ2 4.31Å; K101-W103 HydrophobicContact CG-CH2 4.38Å; K101-W103 HydrophobicContact CG-CZ2 3.75Å; K101-W103 VanDerWaalsContact O-CD1 3.29Å; K101-W103 PolarHBondContact O-N 2.91Å; K101-W103 PolarHBondContact O-NE1 2.76Å; K101-N121 HydrophobicContact CB-CB 4.16Å; K101-N121 HydrophobicContact CD-CB 3.62Å
102W94.8Very high94.1Very high121 Ų12160.1 Ų60.146%0.45833%0.331SS..  trans-83.455.6-179.4-50-26.9000110.7I97 G100 C104 E105I97-W102 HydrophobicContact CG1-CE3 4.44Å; I97-W102 HydrophobicContact CG2-CB 4.26Å; I97-W102 WeakPolarHBondContact CG2-O 3.43Å; I97-W102 PolarHBondContact O-N 3.03Å; G100-W102 VanDerWaalsContact C-CD1 3.43Å; G100-W102 PolarHBondContact O-N 2.85Å; G100-W102 PolarHBondContact O-NE1 2.86Å; G100-W102 VanDerWaalsContact O-NE1 3.16Å; W102-C104 PolarHBondContact O-N 2.05Å; W102-E105 HydrophobicContact CB-CB 4.16Å; W102-E105 HydrophobicContact CB-CG 3.86Å; W102-E105 WeakPolarHBondContact O-CB 3.49Å; W102-E105 PolarHBondContact O-N 2.8Å
103W95.4Very high94.3Very high15 Ų1561.3 Ų61.36%0.05734%0.335CS..THydrogen-bonded Turntrans-56.7-26.2-165.4-51.1119000115.3V98 K101 M106 P108 N121 W124 V137V98-W103 HydrophobicContact CB-CZ3 4.41Å; V98-W103 HydrophobicContact CG1-CH2 4.23Å; V98-W103 HydrophobicContact CG1-CZ3 4.11Å; V98-W103 HydrophobicContact CG2-CZ3 4.38Å; K101-W103 HydrophobicContact CB-CZ2 3.72Å; K101-W103 HydrophobicContact CD-CZ2 4.31Å; K101-W103 HydrophobicContact CG-CH2 4.38Å; K101-W103 HydrophobicContact CG-CZ2 3.75Å; K101-W103 VanDerWaalsContact O-CD1 3.29Å; K101-W103 PolarHBondContact O-N 2.91Å; K101-W103 PolarHBondContact O-NE1 2.76Å; W103-M106 HydrophobicContact CB-CE 4.26Å; W103-M106 HydrophobicContact CE3-CE 4.26Å; W103-M106 WeakPolarHBondContact O-CE 3.3Å; W103-M106 WeakPolarHBondContact O-CG 3.38Å; W103-P108 WeakPolarHBondContact O-CD 3.47Å; W103-P108 WeakPolarHBondContact O-CG 3.38Å; W103-N121 WeakPolarHBondContact CZ2-O 3.41Å; W103-N121 PolarHBondContact NE1-O 2.86Å; W103-W124 HydrophobicContact CB-CB 3.93Å; W103-W124 HydrophobicContact CB-CD2 4.46Å; W103-W124 HydrophobicContact CB-CE3 3.98Å; W103-W124 HydrophobicContact CB-CG 4.49Å; W103-W124 HydrophobicContact CD2-CE3 4.43Å; W103-W124 HydrophobicContact CG-CE3 4.22Å; W103-V137 HydrophobicContact CH2-CG2 4.34Å; W103-V137 HydrophobicContact CZ3-CG2 4.36Å
104C96.2Very high94.4Very high40 Ų4067.2 Ų67.227%0.2736%0.362SS..THydrogen-bonded Turntrans-83.6-15.5177-68.90000114W102 M106 E107 C115 K116W102-C104 PolarHBondContact O-N 2.05Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.79Å; C104-E107 PolarHBondContact O-N 3.41Å; C104-E107 VanDerWaalsContact O-N 3.14Å; C104-C115 WeakPolarHBondContact CA-SG 3.39Å; C104-C115 HydrophobicContact CB-CB 3.84Å; C104-C115 WeakPolarHBondContact CB-SG 3.37Å; C104-C115 WeakPolarHBondContact SG-CB 3.07Å; C104-C115 CovalentContact SG-SG 2.06Å; C104-C115 PolarHBondContact SG-SG 3.24Å; C104-K116 VanDerWaalsContact SG-C 3.58Å; C104-K116 PolarHBondContact SG-N 2.05Å; C104-K116 VanDerWaalsContact SG-N 3.39Å
105E94.8Very high94.6Very high121 Ų12166.4 Ų66.457%0.56536%0.36SS*.THydrogen-bonded Turntrans-71.4-22.6176-66.9-173.1-163.900112.9I97 W102 E107I97-E105 HydrophobicContact CD1-CB 4.4Å; I97-E105 HydrophobicContact CG1-CB 4.37Å; I97-E105 HydrophobicContact CG2-CB 4.44Å; W102-E105 HydrophobicContact CB-CB 4.16Å; W102-E105 HydrophobicContact CB-CG 3.86Å; W102-E105 WeakPolarHBondContact O-CB 3.49Å; W102-E105 PolarHBondContact O-N 2.8Å; E105-E107 PolarHBondContact O-N 3.46Å
106M93.2Very high94.8Very high9 Ų971 Ų714%0.04438%0.376CS..THydrogen-bonded Turntrans-75.9-0.5170.959.9175.7178.400114.1T85 T86 V93 I97 W103 C104 P108 W124T85-M106 HydrophobicContact CG2-CE 3.52Å; T85-M106 HydrophobicContact CG2-SD 3.76Å; T85-M106 WeakPolarHBondContact O-CG 3.24Å; T86-M106 PolarHBondContact OG1-O 3.39Å; V93-M106 HydrophobicContact CB-CB 4.45Å; V93-M106 HydrophobicContact CG1-CB 3.92Å; I97-M106 HydrophobicContact CG2-CB 4.25Å; W103-M106 HydrophobicContact CB-CE 4.26Å; W103-M106 HydrophobicContact CE3-CE 4.26Å; W103-M106 WeakPolarHBondContact O-CE 3.3Å; W103-M106 WeakPolarHBondContact O-CG 3.38Å; C104-M106 VanDerWaalsContact C-N 3.29Å; C104-M106 PolarHBondContact O-N 2.79Å; M106-P108 HydrophobicContact CE-CB 3.8Å; M106-P108 HydrophobicContact CE-CG 4.16Å; M106-P108 HydrophobicContact CG-CB 4.2Å; M106-P108 HydrophobicContact CG-CG 4.37Å; M106-W124 HydrophobicContact CE-CD2 3.77Å; M106-W124 HydrophobicContact CE-CE3 3.4Å; M106-W124 VanDerWaalsContact CE-CE3 3.4Å; M106-W124 HydrophobicContact CE-CH2 3.59Å; M106-W124 HydrophobicContact CE-CZ2 3.95Å; M106-W124 HydrophobicContact CE-CZ3 3.31Å
107E95.5Very high95Very high114 Ų11470.7 Ų70.753%0.53337%0.372SS..  trans50.360.4-175.3-58.1-171.7150.800112.7R87 C104 E105 C109R87-E107 PolarHBondContact N-O 2.91Å; C104-E107 PolarHBondContact O-N 3.41Å; C104-E107 VanDerWaalsContact O-N 3.14Å; E105-E107 PolarHBondContact O-N 3.46Å; E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 2.87Å
108P95.3Very high95.2Very high2 Ų270.3 Ų70.31%0.01337%0.37CS..  trans-77.1-19.4-169.433.7-38.2000113.7T85 N88 W103 M106 W124T85-P108 HydrophobicContact CG2-CB 3.7Å; N88-P108 PolarHBondContact N-O 2.77Å; W103-P108 WeakPolarHBondContact O-CD 3.47Å; W103-P108 WeakPolarHBondContact O-CG 3.38Å; M106-P108 HydrophobicContact CE-CB 3.8Å; M106-P108 HydrophobicContact CE-CG 4.16Å; M106-P108 HydrophobicContact CG-CB 4.2Å; M106-P108 HydrophobicContact CG-CG 4.37Å; P108-W124 HydrophobicContact CB-CD2 4.29Å; P108-W124 HydrophobicContact CB-CG 4.4Å; P108-W124 HydrophobicContact CB-CZ2 4.25Å; P108-W124 HydrophobicContact CG-CD2 4.23Å; P108-W124 HydrophobicContact CG-CG 3.91Å
109C96.3Very high95.4Very high12 Ų1274 Ų748%0.08140%0.395CS..SBendtrans-86.8160.7-176.6-54.70000112.1R87 E107 E113 C115 C126R87-C109 WeakPolarHBondContact CA-O 3.06Å; E107-C109 VanDerWaalsContact C-N 3.32Å; E107-C109 PolarHBondContact O-N 2.87Å; C109-E113 HydrophobicContact CB-CB 3.8Å; C109-C115 HydrophobicContact CB-CB 4.49Å; C109-C115 VanDerWaalsContact SG-CB 3.55Å; C109-C126 WeakPolarHBondContact CA-SG 3.2Å; C109-C126 HydrophobicContact CB-CB 3.72Å; C109-C126 WeakPolarHBondContact CB-SG 3.26Å; C109-C126 WeakPolarHBondContact SG-CA 3.43Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.03Å; C109-C126 PolarHBondContact SG-SG 2.89Å
110L95.6Very high95.5Very high71 Ų7172.1 Ų72.137%0.37239%0.386SS..PPolyproline II helixtrans-74.2164.1174.2-67.2172.7000111R87 N88 G112 E113R87-L110 HydrophobicContact CB-CD2 4.44Å; R87-L110 WeakPolarHBondContact O-CD2 3.41Å; N88-L110 HydrophobicContact CB-CD2 4.01Å; N88-L110 HydrophobicContact CB-CG 4.05Å; L110-G112 PolarHBondContact O-N 3.24Å; L110-E113 HydrophobicContact CB-CG 4.15Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.15Å
111E94Very high95.6Very high189 Ų18974.2 Ų74.288%0.88339%0.391SS*.THydrogen-bonded Turntrans-59.3132.1174.5-168172.4-17500110.7E113E111-E113 VanDerWaalsContact C-N 3.3Å
112G93.1Very high95.7Very high82 Ų8270.8 Ų70.885%0.84538%0.379SS*.THydrogen-bonded Turntrans82.10.5-174.600000115L110L110-G112 PolarHBondContact O-N 3.24Å
113E96.9Very high95.8Very high34 Ų3465 Ų6516%0.15936%0.357CS..PPolyproline II helixtrans-95.5142.1168.3-59.3-174.415100110.8C109 L110 E111 C126 Y127 A128 K133C109-E113 HydrophobicContact CB-CB 3.8Å; L110-E113 HydrophobicContact CB-CG 4.15Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CB 3.35Å; L110-E113 PolarHBondContact O-N 3.15Å; E111-E113 VanDerWaalsContact C-N 3.3Å; E113-C126 HydrophobicContact CB-CB 4.36Å; E113-Y127 CarbonylContact C-O 3.47Å; E113-Y127 WeakPolarHBondContact CA-O 3.06Å; E113-A128 HydrophobicContact CG-CB 4.01Å; E113-K133 IonicContact OE1-NZ 3.63Å; E113-K133 PolarHBondContact OE1-NZ 3.48Å; E113-K133 IonicContact OE2-NZ 2.68Å
114E96.9Very high95.8Very high135 Ų13565.4 Ų65.463%0.63136%0.359SS*.EExtended strand (participates in β ladder)trans-90.5129.3174-170.7-173.2164.800110.4C126 Y127E114-C126 WeakPolarHBondContact O-CA 3.41Å; E114-Y127 PolarHBondContact N-O 2.9Å; E114-Y127 PolarHBondContact O-N 3.42Å
115C97.6Very high95.9Very high37 Ų3764.6 Ų64.625%0.2535%0.351CS..EExtended strand (participates in β ladder)trans-93.6136177.4-173.30000111.6C104 C109 M125C104-C115 WeakPolarHBondContact CA-SG 3.39Å; C104-C115 HydrophobicContact CB-CB 3.84Å; C104-C115 WeakPolarHBondContact CB-SG 3.37Å; C104-C115 WeakPolarHBondContact SG-CB 3.07Å; C104-C115 CovalentContact SG-SG 2.06Å; C104-C115 PolarHBondContact SG-SG 3.24Å; C109-C115 HydrophobicContact CB-CB 4.49Å; C109-C115 VanDerWaalsContact SG-CB 3.55Å; C115-M125 WeakPolarHBondContact CA-O 3.48Å
116K97.3Very high96Very high120 Ų12059.1 Ų59.152%0.52233%0.327SS..EExtended strand (participates in β ladder)trans-137.7139.2168.6-173.2174.6-178.8173.70111.4C104 W124 M125 Y127C104-K116 VanDerWaalsContact SG-C 3.58Å; C104-K116 PolarHBondContact SG-N 2.05Å; C104-K116 VanDerWaalsContact SG-N 3.39Å; K116-W124 CarbonylContact O-C 3.56Å; K116-W124 VanDerWaalsContact O-CA 3.29Å; K116-W124 WeakPolarHBondContact O-CA 3.42Å; K116-M125 HydrophobicContact CB-CG 3.73Å; K116-M125 HydrophobicContact CB-SD 4.06Å; K116-M125 HydrophobicContact CD-SD 4.17Å; K116-M125 HydrophobicContact CG-SD 4.33Å; K116-M125 PolarHBondContact N-O 3.16Å; K116-M125 VanDerWaalsContact O-CG 3.23Å; K116-M125 WeakPolarHBondContact O-CG 3.32Å; K116-M125 PolarHBondContact O-N 3.15Å; K116-Y127 HydrophobicContact CB-CE2 4.1Å; K116-Y127 HydrophobicContact CD-CE2 4.45Å
117T96.8Very high96.2Very high42 Ų4262.1 Ų62.126%0.25834%0.338SS..EExtended strand (participates in β ladder)trans-71140.6171.5-66.20000110.7N121T117-N121 WeakPolarHBondContact CG2-OD1 3.42Å
118L97.4Very high96.2Very high13 Ų1358.4 Ų58.47%0.06833%0.327CS..  trans-62.6145.4172.4-72171.1000110.7D120 N121 S122 G123 M125 T134 R136L118-D120 VanDerWaalsContact CB-OD1 3.3Å; L118-D120 WeakPolarHBondContact CB-OD1 3.18Å; L118-D120 PolarHBondContact O-N 2.97Å; L118-D120 VanDerWaalsContact O-N 3.11Å; L118-N121 WeakPolarHBondContact O-CA 3.46Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-S122 WeakPolarHBondContact CD1-OG 3.33Å; L118-G123 WeakPolarHBondContact CB-O 3.24Å; L118-G123 PolarHBondContact N-O 2.94Å; L118-M125 HydrophobicContact CD2-CE 3.4Å; L118-M125 VanDerWaalsContact CD2-CE 3.4Å; L118-M125 HydrophobicContact CG-CE 4.4Å; L118-T134 HydrophobicContact CD1-CG2 4.22Å; L118-T134 HydrophobicContact CD2-CG2 4.11Å; L118-R136 HydrophobicContact CD1-CG 3.83Å
119P95.4Very high96Very high125 Ų12561.5 Ų61.581%0.81236%0.359SS*.THydrogen-bonded Turntrans-59.1-26.9-176.6-25.434.4000115N121P119-N121 VanDerWaalsContact C-N 3.33Å
120D96Very high95.7Very high100 Ų10069.2 Ų69.254%0.53540%0.399SS..THydrogen-bonded Turntrans-91.24.617861.3-0.7000113.1L118 S122L118-D120 VanDerWaalsContact CB-OD1 3.3Å; L118-D120 WeakPolarHBondContact CB-OD1 3.18Å; L118-D120 PolarHBondContact O-N 2.97Å; L118-D120 VanDerWaalsContact O-N 3.11Å; D120-S122 PolarHBondContact O-N 3.38Å; D120-S122 VanDerWaalsContact O-N 3.15Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 2.9Å; D120-S122 PolarHBondContact OD1-OG 3.47Å; D120-S122 PolarHBondContact OD2-OG 2.64Å
121N95.3Very high95.5Very high76 Ų7673.4 Ų73.441%0.40642%0.415SS..SBendtrans55.822.3-172.6-54.6-52.8000113.6K101 W103 T117 L118 P119 G123K101-N121 HydrophobicContact CB-CB 4.16Å; K101-N121 HydrophobicContact CD-CB 3.62Å; W103-N121 WeakPolarHBondContact CZ2-O 3.41Å; W103-N121 PolarHBondContact NE1-O 2.86Å; T117-N121 WeakPolarHBondContact CG2-OD1 3.42Å; L118-N121 WeakPolarHBondContact O-CA 3.46Å; L118-N121 PolarHBondContact O-N 2.94Å; P119-N121 VanDerWaalsContact C-N 3.33Å; N121-G123 PolarHBondContact O-N 2.96Å
122S95.7Very high95.4Very high29 Ų2969.1 Ų69.120%0.20340%0.397CS..SBendtrans-80.81.9178.368.60000113.6L118 D120 R136 V137L118-S122 WeakPolarHBondContact CD1-OG 3.33Å; D120-S122 PolarHBondContact O-N 3.38Å; D120-S122 VanDerWaalsContact O-N 3.15Å; D120-S122 VanDerWaalsContact OD1-CB 3.24Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 2.9Å; D120-S122 PolarHBondContact OD1-OG 3.47Å; D120-S122 PolarHBondContact OD2-OG 2.64Å; S122-R136 CarbonylContact O-C 3.56Å; S122-R136 WeakPolarHBondContact O-CA 3.22Å; S122-V137 PolarHBondContact O-N 3.26Å
123G96.2Very high95.4Very high0 Ų069.4 Ų69.40%038%0.375CS..EExtended strand (participates in β ladder)trans154.9-150.1-178.900000112.2L118 N121 T135L118-G123 WeakPolarHBondContact CB-O 3.24Å; L118-G123 PolarHBondContact N-O 2.94Å; N121-G123 PolarHBondContact O-N 2.96Å; G123-T135 WeakPolarHBondContact CA-O 3.46Å
124W97.3Very high95.3Very high22 Ų2271.3 Ų71.38%0.08339%0.389CS..EExtended strand (participates in β ladder)trans-141.7170.4-17366.494.9000112.4T85 W103 M106 P108 K116 T135 V137T85-W124 HydrophobicContact CG2-CH2 3.53Å; T85-W124 HydrophobicContact CG2-CZ2 3.32Å; W103-W124 HydrophobicContact CB-CB 3.93Å; W103-W124 HydrophobicContact CB-CD2 4.46Å; W103-W124 HydrophobicContact CB-CE3 3.98Å; W103-W124 HydrophobicContact CB-CG 4.49Å; W103-W124 HydrophobicContact CD2-CE3 4.43Å; W103-W124 HydrophobicContact CG-CE3 4.22Å; M106-W124 HydrophobicContact CE-CD2 3.77Å; M106-W124 HydrophobicContact CE-CE3 3.4Å; M106-W124 VanDerWaalsContact CE-CE3 3.4Å; M106-W124 HydrophobicContact CE-CH2 3.59Å; M106-W124 HydrophobicContact CE-CZ2 3.95Å; M106-W124 HydrophobicContact CE-CZ3 3.31Å; P108-W124 HydrophobicContact CB-CD2 4.29Å; P108-W124 HydrophobicContact CB-CG 4.4Å; P108-W124 HydrophobicContact CB-CZ2 4.25Å; P108-W124 HydrophobicContact CG-CD2 4.23Å; P108-W124 HydrophobicContact CG-CG 3.91Å; K116-W124 CarbonylContact O-C 3.56Å; K116-W124 VanDerWaalsContact O-CA 3.29Å; K116-W124 WeakPolarHBondContact O-CA 3.42Å; W124-T135 VanDerWaalsContact CE2-CB 3.45Å; W124-T135 HydrophobicContact CH2-CG2 3.31Å; W124-T135 HydrophobicContact CZ2-CG2 3.25Å; W124-T135 HydrophobicContact CZ3-CG2 4Å; W124-T135 PolarHBondContact N-O 3.44Å; W124-T135 PolarHBondContact O-N 2.95Å; W124-T135 VanDerWaalsContact O-O 3.13Å; W124-V137 HydrophobicContact CH2-CG2 4.49Å; W124-V137 HydrophobicContact CZ3-CG2 3.74Å
125M97.1Very high95.1Very high23 Ų2367.4 Ų67.411%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-132.9143173.954.4-176.272.100110C115 K116 L118 Y127 I132 K133C115-M125 WeakPolarHBondContact CA-O 3.48Å; K116-M125 HydrophobicContact CB-CG 3.73Å; K116-M125 HydrophobicContact CB-SD 4.06Å; K116-M125 HydrophobicContact CD-SD 4.17Å; K116-M125 HydrophobicContact CG-SD 4.33Å; K116-M125 PolarHBondContact N-O 3.16Å; K116-M125 VanDerWaalsContact O-CG 3.23Å; K116-M125 WeakPolarHBondContact O-CG 3.32Å; K116-M125 PolarHBondContact O-N 3.15Å; L118-M125 HydrophobicContact CD2-CE 3.4Å; L118-M125 VanDerWaalsContact CD2-CE 3.4Å; L118-M125 HydrophobicContact CG-CE 4.4Å; M125-Y127 HydrophobicContact CB-CE2 4.3Å; M125-Y127 HydrophobicContact CG-CD2 4.27Å; M125-Y127 HydrophobicContact CG-CE2 3.51Å; M125-Y127 HydrophobicContact SD-CD2 4.46Å; M125-Y127 HydrophobicContact SD-CE2 3.26Å; M125-Y127 WeakPolarHBondContact SD-CE2 3.45Å; M125-Y127 PolarHBondContact SD-OH 3.11Å; M125-I132 HydrophobicContact CB-CG2 4.41Å; M125-K133 CarbonylContact C-O 3.59Å; M125-K133 VanDerWaalsContact CA-O 3.24Å; M125-K133 WeakPolarHBondContact CA-O 3.47Å
126C97.7Very high94.8Very high7 Ų774.6 Ų74.65%0.04740%0.396CS..EExtended strand (participates in β ladder)trans-114.3123.9173.6-58.20000109.2C109 E113 E114 K133C109-C126 WeakPolarHBondContact CA-SG 3.2Å; C109-C126 HydrophobicContact CB-CB 3.72Å; C109-C126 WeakPolarHBondContact CB-SG 3.26Å; C109-C126 WeakPolarHBondContact SG-CA 3.43Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.03Å; C109-C126 PolarHBondContact SG-SG 2.89Å; E113-C126 HydrophobicContact CB-CB 4.36Å; E114-C126 WeakPolarHBondContact O-CA 3.41Å; C126-K133 HydrophobicContact CB-CB 4.4Å; C126-K133 PolarHBondContact N-O 2.78Å; C126-K133 PolarHBondContact O-N 2.96Å
127Y96.7Very high94.4Very high71 Ų7172.3 Ų72.328%0.27839%0.392SS..EExtended strand (participates in β ladder)trans-100.3122.9178.7-67.8-92.4000110.7E113 E114 K116 M125 I132E113-Y127 CarbonylContact C-O 3.47Å; E113-Y127 WeakPolarHBondContact CA-O 3.06Å; E114-Y127 PolarHBondContact N-O 2.9Å; E114-Y127 PolarHBondContact O-N 3.42Å; K116-Y127 HydrophobicContact CB-CE2 4.1Å; K116-Y127 HydrophobicContact CD-CE2 4.45Å; M125-Y127 HydrophobicContact CB-CE2 4.3Å; M125-Y127 HydrophobicContact CG-CD2 4.27Å; M125-Y127 HydrophobicContact CG-CE2 3.51Å; M125-Y127 HydrophobicContact SD-CD2 4.46Å; M125-Y127 HydrophobicContact SD-CE2 3.26Å; M125-Y127 WeakPolarHBondContact SD-CE2 3.45Å; M125-Y127 PolarHBondContact SD-OH 3.11Å; Y127-I132 HydrophobicContact CD1-CD1 4.05Å; Y127-I132 HydrophobicContact CD1-CG1 3.72Å; Y127-I132 HydrophobicContact CE1-CD1 3.61Å; Y127-I132 HydrophobicContact CE1-CG1 3.79Å; Y127-I132 HydrophobicContact CE1-CG2 4.29Å
128A95.3Very high93.5Very high37 Ų3779.2 Ų79.231%0.30644%0.442SS..EExtended strand (participates in β ladder)trans-122.375.6174.300000108.7E113 N130 K131E113-A128 HydrophobicContact CG-CB 4.01Å; A128-N130 PolarHBondContact O-N 3.4Å; A128-N130 VanDerWaalsContact O-N 3.12Å; A128-K131 HydrophobicContact CB-CB 4.3Å; A128-K131 PolarHBondContact N-O 3.01Å; A128-K131 PolarHBondContact O-N 3.08Å; A128-K131 VanDerWaalsContact O-N 3.08Å
129G90.6Very high93.3Very high67 Ų6782.6 Ų82.669%0.69146%0.461SS*.THydrogen-bonded Turntrans58.8-113.5-169.700000110.9K131G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 2.57Å
130N91.3Very high93.2Very high173 Ų17380.3 Ų80.393%0.92544%0.443SS*.THydrogen-bonded Turntrans-84.6-3.7-178.6-57.6-0.9000113.6A128A128-N130 PolarHBondContact O-N 3.4Å; A128-N130 VanDerWaalsContact O-N 3.12Å
131K90.9Very high93Very high159 Ų15979.2 Ų79.269%0.69144%0.438SS*.EExtended strand (participates in β ladder)trans-99.9127.2179.7-66.5179.1-179176.50109.5A128 G129A128-K131 HydrophobicContact CB-CB 4.3Å; A128-K131 PolarHBondContact N-O 3.01Å; A128-K131 PolarHBondContact O-N 3.08Å; A128-K131 VanDerWaalsContact O-N 3.08Å; G129-K131 VanDerWaalsContact C-N 3.31Å; G129-K131 PolarHBondContact O-N 2.57Å
132I93Very high92.9Very high100 Ų10079.4 Ų79.451%0.51344%0.439SS..EExtended strand (participates in β ladder)trans-117.2126.6178.1-54.4176000108.1M125 Y127M125-I132 HydrophobicContact CB-CG2 4.41Å; Y127-I132 HydrophobicContact CD1-CD1 4.05Å; Y127-I132 HydrophobicContact CD1-CG1 3.72Å; Y127-I132 HydrophobicContact CE1-CD1 3.61Å; Y127-I132 HydrophobicContact CE1-CG1 3.79Å; Y127-I132 HydrophobicContact CE1-CG2 4.29Å
133K92.9Very high92.7Very high87 Ų8782.6 Ų82.638%0.37845%0.454SS..EExtended strand (participates in β ladder)trans-110.6120172.1-61.9170.7-172.2157.80108.3E113 M125 C126E113-K133 IonicContact OE1-NZ 3.63Å; E113-K133 PolarHBondContact OE1-NZ 3.48Å; E113-K133 IonicContact OE2-NZ 2.68Å; M125-K133 CarbonylContact C-O 3.59Å; M125-K133 VanDerWaalsContact CA-O 3.24Å; M125-K133 WeakPolarHBondContact CA-O 3.47Å; C126-K133 HydrophobicContact CB-CB 4.4Å; C126-K133 PolarHBondContact N-O 2.78Å; C126-K133 PolarHBondContact O-N 2.96Å
134T93.3Very high92.5Very high74 Ų7488.1 Ų88.145%0.45448%0.484SS..EExtended strand (participates in β ladder)trans-105.7132178-580000109.5L118 R136L118-T134 HydrophobicContact CD1-CG2 4.22Å; L118-T134 HydrophobicContact CD2-CG2 4.11Å; T134-R136 HydrophobicContact CG2-CG 4.45Å
135T92.9Very high92.1Very high54 Ų5492.8 Ų92.833%0.33151%0.513SS..EExtended strand (participates in β ladder)trans-120.7131.1170.4-54.20000109.3G123 W124G123-T135 WeakPolarHBondContact CA-O 3.46Å; W124-T135 VanDerWaalsContact CE2-CB 3.45Å; W124-T135 HydrophobicContact CH2-CG2 3.31Å; W124-T135 HydrophobicContact CZ2-CG2 3.25Å; W124-T135 HydrophobicContact CZ3-CG2 4Å; W124-T135 PolarHBondContact N-O 3.44Å; W124-T135 PolarHBondContact O-N 2.95Å; W124-T135 VanDerWaalsContact O-O 3.13Å
136R92.2Very high91.8Very high187 Ų18798.2 Ų98.271%0.70654%0.544SS*.EExtended strand (participates in β ladder)trans-113.9144.2175-68.6-172.3177.3118.3-2.1109.7L118 S122 T134L118-R136 HydrophobicContact CD1-CG 3.83Å; S122-R136 CarbonylContact O-C 3.56Å; S122-R136 WeakPolarHBondContact O-CA 3.22Å; T134-R136 HydrophobicContact CG2-CG 4.45Å
137V89.1Confident91.3Very high73 Ų73105.8 Ų105.844%0.44259%0.585SS.*  trans-106.6117.8172.4-173.10000106.4W103 S122 W124W103-V137 HydrophobicContact CH2-CG2 4.34Å; W103-V137 HydrophobicContact CZ3-CG2 4.36Å; S122-V137 PolarHBondContact O-N 3.26Å; W124-V137 HydrophobicContact CH2-CG2 4.49Å; W124-V137 HydrophobicContact CZ3-CG2 3.74Å
138S77.1Confident90.8Very high187 Ų187108.9 Ų108.9100%1.30861%0.613SS**  trans-96.60-179.9600000112

Retrieved 138 of 138 residues in 167.8 ms (Link to these results)