A0A076V5Y0_PIG Loading...

LY6E

AlphaFold DB (A0A4X1UX45), UniProt , Accession A0A076V5Y0, Species PIG (Sus scrofa, Pig), Gene LY6E, Length 130 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
1M51.5Low62.2Low210 Ų210111.2 Ų111.2100%1.03462%0.618SS**  0-21.40-67.5178.5139.200114.7V3M1-V3 PolarHBondContact O-N 3.22Å
2K58.7Low62Low196 Ų196112.8 Ų112.885%0.85262%0.623SS**THydrogen-bonded Turntrans-69.8-22.9-178.4-117.891.2171.2179.40115.8P6K2-P6 WeakPolarHBondContact O-CD 3.49Å
3V59.1Low61.9Low107 Ų107115.1 Ų115.165%0.64863%0.633SS**THydrogen-bonded Turntrans-92.2-18.6-173.8-97.30000114.4M1 P6 V7M1-V3 PolarHBondContact O-N 3.22Å; V3-P6 WeakPolarHBondContact O-CD 3.33Å; V3-P6 WeakPolarHBondContact O-CG 3.13Å; V3-V7 WeakPolarHBondContact O-CB 3.37Å; V3-V7 WeakPolarHBondContact O-CG2 3.34Å; V3-V7 PolarHBondContact O-N 3.37Å
4L62.6Low61.4Low129 Ų129111.2 Ų111.268%0.67563%0.632SS**Hα-helixtrans-68.4-37.4179.2-82.7158.5000112.1L8L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 2.92Å
5L62.4Low60.8Low93 Ų93109.9 Ų109.949%0.48763%0.627SS.*Hα-helixtrans-64.5-51.3-179.6-141.890.1000113.1V7 L8 L9L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 2.84Å; L5-L9 WeakPolarHBondContact O-CB 3.14Å; L5-L9 PolarHBondContact O-N 3.44Å
6P61.9Low60Low73 Ų73115.3 Ų115.347%0.47465%0.645SS.*Hα-helixtrans-67.2-31.5177.624.4-33.2000112.6K2 V3 L9 A10K2-P6 WeakPolarHBondContact O-CD 3.49Å; V3-P6 WeakPolarHBondContact O-CD 3.33Å; V3-P6 WeakPolarHBondContact O-CG 3.13Å; P6-L9 PolarHBondContact O-N 3.5Å; P6-A10 WeakPolarHBondContact O-CB 3.47Å; P6-A10 PolarHBondContact O-N 3.46Å
7V68.5Low59.6Low95 Ų95119.9 Ų119.958%0.57665%0.65SS**Hα-helixtrans-68.1-41.4175.51710000111.5V3 L5 A10 A11V3-V7 WeakPolarHBondContact O-CB 3.37Å; V3-V7 WeakPolarHBondContact O-CG2 3.34Å; V3-V7 PolarHBondContact O-N 3.37Å; L5-V7 VanDerWaalsContact C-N 3.31Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-A10 PolarHBondContact O-N 3.41Å; V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.18Å
8L66Low59.2Low104 Ų104119 Ų11955%0.54566%0.662SS.*Hα-helixtrans-66.2-39.2175.4-172.568.3000111.7L4 L5 A11 L12L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 PolarHBondContact O-N 2.92Å; L5-L8 PolarHBondContact O-N 2.84Å; L8-A11 PolarHBondContact O-N 2.92Å; L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 2.97Å
9L62.9Low59.4Low93 Ų93120.5 Ų120.549%0.48766%0.663SS.*Hα-helixtrans-65.9-42.4176.7-138.875.5000111.5L5 P6 L12 L13L5-L9 WeakPolarHBondContact O-CB 3.14Å; L5-L9 PolarHBondContact O-N 3.44Å; P6-L9 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.31Å; L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.39Å
10A65.1Low60.5Low60 Ų60116.5 Ų116.550%0.49664%0.643SS.*Hα-helixtrans-64.4-38.3175.200000112.2P6 V7 L12 L13 G14P6-A10 WeakPolarHBondContact O-CB 3.47Å; P6-A10 PolarHBondContact O-N 3.46Å; V7-A10 PolarHBondContact O-N 3.41Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.91Å; A10-L13 PolarHBondContact O-N 3.41Å; A10-G14 WeakPolarHBondContact O-CA 3.44Å; A10-G14 PolarHBondContact O-N 2.97Å
11A65Low62Low63 Ų63112.2 Ų112.252%0.52162%0.62SS.*Hα-helixtrans-66.3-34.9175.600000112.8V7 L8V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.18Å; L8-A11 PolarHBondContact O-N 2.92Å
12L60.4Low64Low130 Ų130103.2 Ų103.268%0.68158%0.576SS**Hα-helixtrans-74.2-32.4175.3-72.7166.4000112.9L8 L9 A10L8-L12 HydrophobicContact CG-CD1 4.43Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.31Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.91Å
13L60.4Low65.8Low143 Ų14393.9 Ų93.975%0.74954%0.536SS*.Hα-helixtrans-84.8-22.7179.1-67.5169.4000113.2L9 A10L9-L13 HydrophobicContact CG-CD1 4.47Å; L9-L13 WeakPolarHBondContact O-CB 3.27Å; L9-L13 VanDerWaalsContact O-CG 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.39Å; A10-L13 PolarHBondContact O-N 3.41Å
14G54.3Low67.5Low61 Ų6189.7 Ų89.763%0.62951%0.509SS*.  trans-89.16.6-173.800000115.9A10 E16A10-G14 WeakPolarHBondContact O-CA 3.44Å; A10-G14 PolarHBondContact O-N 2.97Å; G14-E16 PolarHBondContact O-N 3.03Å
15V53.1Low69.1Low92 Ų9284.8 Ų84.856%0.55849%0.485SS*.  trans-87.387.2174.8-179.40000109R17V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 HydrophobicContact CG1-CB 4.46Å; V15-R17 HydrophobicContact CG1-CG 3.47Å; V15-R17 VanDerWaalsContact CG1-CG 3.47Å; V15-R17 PolarHBondContact O-N 2.94Å
16E47.7Very low70.6Confident195 Ų19581.1 Ų81.191%0.91147%0.467SS*.  trans-62.8103.7150.2-98.1-154.294.100107G14 A18G14-E16 PolarHBondContact O-N 3.03Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.49Å
17R53.3Low72.2Confident195 Ų19582.6 Ų82.674%0.73648%0.475SS*.  trans-74.889.7173.9-75.2-158.6-173.8175.23.2108.8V15 H19V15-R17 VanDerWaalsContact C-N 3.35Å; V15-R17 HydrophobicContact CG1-CB 4.46Å; V15-R17 HydrophobicContact CG1-CG 3.47Å; V15-R17 VanDerWaalsContact CG1-CG 3.47Å; V15-R17 PolarHBondContact O-N 2.94Å; R17-H19 HydrophobicContact CB-CB 4.47Å; R17-H19 PolarHBondContact O-N 3.17Å
18A52.9Low73.3Confident103 Ų10383.5 Ų83.585%0.85148%0.477SS*.  trans-72.751.6156.300000110.2E16E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 3.49Å
19H63.7Low74.6Confident147 Ų14783 Ų8368%0.68147%0.47SS*.PPolyproline II helixtrans-101.7121.6173.5-84.5-84.2000108.3R17 L21R17-H19 HydrophobicContact CB-CB 4.47Å; R17-H19 PolarHBondContact O-N 3.17Å; H19-L21 PolarHBondContact O-N 3.07Å
20S81.1Confident75.9Confident40 Ų4083.9 Ų83.928%0.2848%0.476SS..PPolyproline II helixtrans-46124.4164.956.30000109.4I40S20-I40 VanDerWaalsContact OG-CG2 3.31Å; S20-I40 WeakPolarHBondContact OG-CG2 3.26Å
21L91.1Very high76.9Confident27 Ų2783.1 Ų83.114%0.14147%0.466CS..PPolyproline II helixtrans-55.5146178.4-175.364.5000109.5H19 C41H19-L21 PolarHBondContact O-N 3.07Å; L21-C41 HydrophobicContact CB-CB 4.22Å; L21-C41 WeakPolarHBondContact O-CB 3.02Å; L21-C41 PolarHBondContact O-N 2.02Å; L21-C41 PolarHBondContact O-SG 3Å
22V94.4Very high78.1Confident21 Ų2182 Ų8213%0.12745%0.452CS..EExtended strand (participates in β ladder)trans-120.7127.6173.1-174.90000107.8P38 T39 I40 F95 L96V22-P38 HydrophobicContact CG1-CB 4.46Å; V22-T39 WeakPolarHBondContact CA-O 3.28Å; V22-T39 WeakPolarHBondContact CG1-O 3.23Å; V22-I40 HydrophobicContact CG2-CG1 4.22Å; V22-F95 HydrophobicContact CB-CD2 3.64Å; V22-F95 HydrophobicContact CB-CE2 3.42Å; V22-F95 VanDerWaalsContact CB-CE2 3.42Å; V22-F95 HydrophobicContact CB-CZ 4.26Å; V22-F95 HydrophobicContact CG1-CE2 4.03Å; V22-F95 HydrophobicContact CG1-CZ 4.43Å; V22-F95 HydrophobicContact CG2-CD2 3.91Å; V22-F95 HydrophobicContact CG2-CE2 3.52Å; V22-L96 HydrophobicContact CG1-CD2 3.88Å; V22-L96 PolarHBondContact O-N 3.31Å
23C95.2Very high79.5Confident0 Ų083.2 Ų83.20%045%0.452CS..EExtended strand (participates in β ladder)trans-127163.1-177.2-58.70000110.3P38 T39 C41 C48C23-P38 CarbonylContact O-C 3.59Å; C23-T39 PolarHBondContact N-O 2.93Å; C23-T39 PolarHBondContact O-N 3.02Å; C23-C41 PolarHBondContact SG-SG 3.37Å; C23-C48 VanDerWaalsContact CA-SG 3.6Å; C23-C48 HydrophobicContact CB-CB 3.7Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.31Å; C23-C48 WeakPolarHBondContact SG-CB 3.37Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.12Å
24F96.2Very high80.9Confident19 Ų1983.8 Ų83.88%0.08345%0.445CS..EExtended strand (participates in β ladder)trans-76.6137.2162.4-66.5-66.1000110L36 K37 P38 K69 L96 N98 I99F24-L36 VanDerWaalsContact CD1-CA 3.44Å; F24-L36 HydrophobicContact CD1-CB 4.04Å; F24-L36 HydrophobicContact CD1-CD2 4.15Å; F24-L36 WeakPolarHBondContact CD1-O 3.34Å; F24-L36 HydrophobicContact CD2-CD2 3.93Å; F24-L36 HydrophobicContact CE1-CB 4.02Å; F24-L36 HydrophobicContact CE1-CD2 4.21Å; F24-L36 WeakPolarHBondContact CE1-O 3.03Å; F24-L36 HydrophobicContact CE2-CD2 4.01Å; F24-L36 HydrophobicContact CG-CD2 3.98Å; F24-L36 HydrophobicContact CZ-CD2 4.13Å; F24-K37 CarbonylContact C-O 3.37Å; F24-K37 VanDerWaalsContact CA-O 3.31Å; F24-K37 WeakPolarHBondContact CA-O 3.41Å; F24-P38 HydrophobicContact CE1-CB 4.44Å; F24-K69 HydrophobicContact CB-CD 4.02Å; F24-K69 VanDerWaalsContact O-CB 3.22Å; F24-K69 WeakPolarHBondContact O-CB 3.02Å; F24-L96 HydrophobicContact CD1-CD2 4.18Å; F24-L96 HydrophobicContact CD2-CB 4.32Å; F24-L96 HydrophobicContact CD2-CD2 4.17Å; F24-L96 HydrophobicContact CE1-CD2 4.02Å; F24-L96 HydrophobicContact CE2-CB 3.73Å; F24-L96 HydrophobicContact CE2-CD1 4.43Å; F24-L96 HydrophobicContact CE2-CD2 3.98Å; F24-L96 HydrophobicContact CE2-CG 4.26Å; F24-L96 HydrophobicContact CG-CD2 4.29Å; F24-L96 HydrophobicContact CZ-CB 4.15Å; F24-L96 HydrophobicContact CZ-CD1 3.99Å; F24-L96 HydrophobicContact CZ-CD2 3.92Å; F24-L96 HydrophobicContact CZ-CG 4.25Å; F24-N98 WeakPolarHBondContact CB-OD1 3.07Å; F24-N98 PolarHBondContact N-OD1 2.66Å; F24-N98 PolarHBondContact O-ND2 3Å; F24-I99 HydrophobicContact CD2-CB 4.17Å; F24-I99 HydrophobicContact CE2-CB 3.7Å; F24-I99 HydrophobicContact CE2-CD1 4.3Å; F24-I99 HydrophobicContact CE2-CG1 3.81Å; F24-I99 HydrophobicContact CZ-CG1 4.42Å
25S95.1Very high82.8Confident26 Ų2680.9 Ų80.918%0.18242%0.415CS..EExtended strand (participates in β ladder)trans-123.4143.5174.576.10000111.6K37 T39 K69S25-K37 PolarHBondContact N-O 2.94Å; S25-K37 WeakPolarHBondContact O-CB 3.47Å; S25-T39 WeakPolarHBondContact CB-OG1 3.44Å; S25-T39 PolarHBondContact OG-OG1 3.23Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.46Å
26C95.2Very high84.7Confident16 Ų1679.2 Ų79.211%0.10840%0.403CS..EExtended strand (participates in β ladder)trans-166.1164168.6850000110K29 C35 L67 N68 K69C26-K29 HydrophobicContact CB-CG 4.04Å; C26-C35 HydrophobicContact CB-CB 3.72Å; C26-C35 WeakPolarHBondContact CB-SG 3.38Å; C26-C35 WeakPolarHBondContact SG-CB 3.27Å; C26-C35 CovalentContact SG-SG 2Å; C26-C35 PolarHBondContact SG-SG 3.16Å; C26-L67 PolarHBondContact SG-O 2.91Å; C26-L67 VanDerWaalsContact SG-O 3.41Å; C26-N68 WeakPolarHBondContact O-CA 3.22Å; C26-K69 PolarHBondContact N-O 3.39Å; C26-K69 PolarHBondContact O-N 3.06Å
27T94.5Very high87Confident105 Ų10576.8 Ų76.864%0.64439%0.39SS*.EExtended strand (participates in β ladder)trans-133.5131.9176.9-54.20000108.3
28N91.8Very high89.1Confident114 Ų11471.4 Ų71.461%0.6138%0.38SS*.EExtended strand (participates in β ladder)trans54.556.8171.7-157-91000113.6T66 L67 N68N28-T66 HydrophobicContact CB-CG2 4.31Å; N28-T66 WeakPolarHBondContact ND2-CG2 3.46Å; N28-L67 PolarHBondContact N-O 3.31Å; N28-N68 PolarHBondContact N-OD1 2.93Å
29K93.8Very high91.1Very high93 Ų9368.5 Ų68.540%0.40435%0.352SS..EExtended strand (participates in β ladder)trans-110.6145.1174.2-63.7-58.7-179.6-170.70111.1C26 C35 T66 L67C26-K29 HydrophobicContact CB-CG 4.04Å; K29-C35 HydrophobicContact CB-CB 4.22Å; K29-C35 HydrophobicContact CG-CB 4.42Å; K29-T66 CarbonylContact O-C 3.46Å; K29-L67 PolarHBondContact N-O 3.3Å; K29-L67 WeakPolarHBondContact O-CA 3.04Å; K29-L67 WeakPolarHBondContact O-CB 3.23Å; K29-L67 PolarHBondContact O-N 3.42Å
30N89.5Confident92.6Very high112 Ų11267.5 Ų67.560%0.59935%0.35SS*.SBendtrans-89.4-6.6178.269.39.8000113.4Y65N30-Y65 VanDerWaalsContact O-CD1 3.26Å; N30-Y65 WeakPolarHBondContact O-CD1 3.47Å; N30-Y65 WeakPolarHBondContact O-CE1 3.23Å
31S86.5Confident93.2Very high43 Ų4366 Ų6630%0.30134%0.339SS..SBendtrans-145.6143-174.9175.40000110.5F33 Y34S31-F33 PolarHBondContact O-N 2.8Å; S31-F33 PolarHBondContact OG-N 3.29Å; S31-Y34 PolarHBondContact O-N 3.47Å
32N89.4Confident93.4Very high41 Ų4167.6 Ų67.622%0.21935%0.353CS..SBendtrans-58.1-38.1175.9-177.8-87.6000111.9Y34 C35 L36 L67 K69 I99 A101N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 2.59Å; N32-C35 CarbonylContact O-C 3.55Å; N32-C35 VanDerWaalsContact O-CA 3.3Å; N32-C35 WeakPolarHBondContact O-CA 3.5Å; N32-C35 WeakPolarHBondContact O-CB 3.41Å; N32-C35 PolarHBondContact O-N 3.35Å; N32-L36 WeakPolarHBondContact O-CG 3.16Å; N32-L67 HydrophobicContact CB-CD2 4.27Å; N32-K69 PolarHBondContact ND2-NZ 2.98Å; N32-I99 PolarHBondContact ND2-O 3.1Å; N32-I99 PolarHBondContact OD1-O 2.99Å; N32-I99 VanDerWaalsContact OD1-O 3.07Å; N32-A101 PolarHBondContact ND2-N 2.79Å
33F89.5Confident93.1Very high155 Ų15573.4 Ų73.468%0.6838%0.383SS*.THydrogen-bonded Turntrans-59.1-37.9-178-171.9-97.1000112.6S31 C35S31-F33 PolarHBondContact O-N 2.8Å; S31-F33 PolarHBondContact OG-N 3.29Å; F33-C35 PolarHBondContact O-N 3.06Å
34Y91.1Very high92.9Very high154 Ų15476.5 Ų76.560%0.60441%0.405SS*.THydrogen-bonded Turntrans-81.93.1175.7-55.7-55000113.4S31 N32S31-Y34 PolarHBondContact O-N 3.47Å; N32-Y34 VanDerWaalsContact C-N 3.27Å; N32-Y34 PolarHBondContact O-N 2.59Å
35C93.1Very high92.7Very high0 Ų077 Ų770%041%0.408CS..  trans-124.741-173.8-171.10000111.3C26 K29 N32 F33 L67 K69C26-C35 HydrophobicContact CB-CB 3.72Å; C26-C35 WeakPolarHBondContact CB-SG 3.38Å; C26-C35 WeakPolarHBondContact SG-CB 3.27Å; C26-C35 CovalentContact SG-SG 2Å; C26-C35 PolarHBondContact SG-SG 3.16Å; K29-C35 HydrophobicContact CB-CB 4.22Å; K29-C35 HydrophobicContact CG-CB 4.42Å; N32-C35 CarbonylContact O-C 3.55Å; N32-C35 VanDerWaalsContact O-CA 3.3Å; N32-C35 WeakPolarHBondContact O-CA 3.5Å; N32-C35 WeakPolarHBondContact O-CB 3.41Å; N32-C35 PolarHBondContact O-N 3.35Å; F33-C35 PolarHBondContact O-N 3.06Å; C35-L67 HydrophobicContact CB-CD2 3.92Å; C35-K69 PolarHBondContact O-NZ 3.45Å; C35-K69 VanDerWaalsContact O-NZ 3.1Å; C35-K69 WeakPolarHBondContact SG-CD 3.27Å; C35-K69 WeakPolarHBondContact SG-CG 3.42Å
36L94.4Very high92.5Very high58 Ų5879.9 Ų79.930%0.30442%0.421SS..  trans-121.539.6179.5-65176.1000112F24 N32 P38 I99F24-L36 VanDerWaalsContact CD1-CA 3.44Å; F24-L36 HydrophobicContact CD1-CB 4.04Å; F24-L36 HydrophobicContact CD1-CD2 4.15Å; F24-L36 WeakPolarHBondContact CD1-O 3.34Å; F24-L36 HydrophobicContact CD2-CD2 3.93Å; F24-L36 HydrophobicContact CE1-CB 4.02Å; F24-L36 HydrophobicContact CE1-CD2 4.21Å; F24-L36 WeakPolarHBondContact CE1-O 3.03Å; F24-L36 HydrophobicContact CE2-CD2 4.01Å; F24-L36 HydrophobicContact CG-CD2 3.98Å; F24-L36 HydrophobicContact CZ-CD2 4.13Å; N32-L36 WeakPolarHBondContact O-CG 3.16Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.31Å; L36-I99 HydrophobicContact CD2-CG1 3.93Å
37K96.3Very high92.3Very high144 Ų14482.4 Ų82.463%0.62643%0.429SS*.EExtended strand (participates in β ladder)trans-84111.9172.7-176.4-174.7177.9-175.40109.8F24 S25F24-K37 CarbonylContact C-O 3.37Å; F24-K37 VanDerWaalsContact CA-O 3.31Å; F24-K37 WeakPolarHBondContact CA-O 3.41Å; S25-K37 PolarHBondContact N-O 2.94Å; S25-K37 WeakPolarHBondContact O-CB 3.47Å
38P95.6Very high92.3Very high81 Ų8177.4 Ų77.453%0.52640%0.399SS..EExtended strand (participates in β ladder)trans-65.9142.1176.928.3-34000110.4V22 C23 F24 L36 L96V22-P38 HydrophobicContact CG1-CB 4.46Å; C23-P38 CarbonylContact O-C 3.59Å; F24-P38 HydrophobicContact CE1-CB 4.44Å; L36-P38 VanDerWaalsContact O-CD 3.3Å; L36-P38 WeakPolarHBondContact O-CD 3.31Å; P38-L96 HydrophobicContact CB-CD2 4.13Å
39T95.6Very high92.4Very high43 Ų4372.5 Ų72.526%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-146.4129.4-176.1-61.60000109.2V22 C23 S25V22-T39 WeakPolarHBondContact CA-O 3.28Å; V22-T39 WeakPolarHBondContact CG1-O 3.23Å; C23-T39 PolarHBondContact N-O 2.93Å; C23-T39 PolarHBondContact O-N 3.02Å; S25-T39 WeakPolarHBondContact CB-OG1 3.44Å; S25-T39 PolarHBondContact OG-OG1 3.23Å
40I95.7Very high92.3Very high125 Ų12568.2 Ų68.264%0.64135%0.354SS*.EExtended strand (participates in β ladder)trans-75.4126.1173.8-57.6169.7000107.4S20 V22S20-I40 VanDerWaalsContact OG-CG2 3.31Å; S20-I40 WeakPolarHBondContact OG-CG2 3.26Å; V22-I40 HydrophobicContact CG2-CG1 4.22Å
41C94.3Very high92.4Very high9 Ų965.1 Ų65.16%0.06134%0.34CS..PPolyproline II helixtrans-84.4164.1179.6-54.80000111.7L21 C23 D45 C71L21-C41 HydrophobicContact CB-CB 4.22Å; L21-C41 WeakPolarHBondContact O-CB 3.02Å; L21-C41 PolarHBondContact O-N 2.02Å; L21-C41 PolarHBondContact O-SG 3Å; C23-C41 PolarHBondContact SG-SG 3.37Å; C41-D45 HydrophobicContact CB-CB 3.73Å; C41-C71 WeakPolarHBondContact CA-SG 3.31Å; C41-C71 HydrophobicContact CB-CB 3.5Å; C41-C71 VanDerWaalsContact CB-CB 3.5Å; C41-C71 WeakPolarHBondContact CB-SG 3.43Å; C41-C71 WeakPolarHBondContact SG-CB 3.45Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 2.96Å
42S93.4Very high92.6Very high61 Ų6164.2 Ų64.243%0.42733%0.333SS..PPolyproline II helixtrans-64.7156.8170.3-179.30000110.9S44 D45S42-S44 WeakPolarHBondContact CB-OG 3.28Å; S42-S44 PolarHBondContact O-N 2.03Å; S42-S44 PolarHBondContact OG-N 3.33Å; S42-S44 PolarHBondContact OG-OG 2.95Å; S42-D45 WeakPolarHBondContact CB-OD2 3Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 VanDerWaalsContact N-OD2 3.12Å; S42-D45 WeakPolarHBondContact O-CB 3.32Å; S42-D45 PolarHBondContact O-N 2.76Å
43D89.8Confident92.5Very high143 Ų14364 Ų6477%0.76534%0.337SS*.THydrogen-bonded Turntrans-61.8-22.8172.9-62.2-49.5000112.5D45D43-D45 VanDerWaalsContact C-N 3.34Å
44S89.9Confident92.4Very high65 Ų6558.7 Ų58.746%0.45532%0.319SS..THydrogen-bonded Turntrans-78.6-16.9173.958.80000113.7S42 N46 P73S42-S44 WeakPolarHBondContact CB-OG 3.28Å; S42-S44 PolarHBondContact O-N 2.03Å; S42-S44 PolarHBondContact OG-N 3.33Å; S42-S44 PolarHBondContact OG-OG 2.95Å; S44-N46 PolarHBondContact O-N 2.68Å; S44-N46 PolarHBondContact O-ND2 3.02Å; S44-P73 WeakPolarHBondContact O-CA 3.3Å; S44-P73 VanDerWaalsContact O-CB 3.31Å; S44-P73 WeakPolarHBondContact O-CB 3.37Å
45D92.6Very high92.2Very high28 Ų2852.9 Ų52.915%0.1530%0.303CS..  trans-89.3111.2-173.3-67.7-24.3000110.9C41 S42 D43 C71 P73C41-D45 HydrophobicContact CB-CB 3.73Å; S42-D45 WeakPolarHBondContact CB-OD2 3Å; S42-D45 PolarHBondContact N-OD2 2.79Å; S42-D45 VanDerWaalsContact N-OD2 3.12Å; S42-D45 WeakPolarHBondContact O-CB 3.32Å; S42-D45 PolarHBondContact O-N 2.76Å; D43-D45 VanDerWaalsContact C-N 3.34Å; D45-C71 HydrophobicContact CB-CB 3.91Å; D45-C71 VanDerWaalsContact OD2-CB 3.27Å; D45-C71 WeakPolarHBondContact OD2-CB 3.35Å; D45-P73 VanDerWaalsContact OD1-CD 3.27Å; D45-P73 WeakPolarHBondContact OD1-CD 3.45Å
46N89.8Confident91.7Very high87 Ų8753.7 Ų53.747%0.46531%0.311SS..  trans-102.6-2.5-175.3-67.1-75.9000113.2S44 S72 Q93S44-N46 PolarHBondContact O-N 2.68Å; S44-N46 PolarHBondContact O-ND2 3.02Å; N46-S72 PolarHBondContact N-O 2.03Å; N46-S72 VanDerWaalsContact N-O 3.17Å; N46-Q93 VanDerWaalsContact O-CG 3.26Å; N46-Q93 WeakPolarHBondContact O-CG 3.46Å; N46-Q93 PolarHBondContact O-NE2 2.78Å; N46-Q93 VanDerWaalsContact O-NE2 3.16Å
47Y92.1Very high90.9Very high69 Ų6955 Ų5527%0.27132%0.317SS..EExtended strand (participates in β ladder)trans-136133.1-174.3-59.7-86.8000112.3C71 S72 P73 C75 C91 C92 Q93Y47-C71 CarbonylContact O-C 3.32Å; Y47-C71 WeakPolarHBondContact O-CA 3.31Å; Y47-S72 PolarHBondContact N-O 3.02Å; Y47-S72 PolarHBondContact O-N 3.45Å; Y47-P73 WeakPolarHBondContact CD2-O 3.38Å; Y47-P73 WeakPolarHBondContact CE2-O 3.45Å; Y47-C75 HydrophobicContact CD1-CB 4.32Å; Y47-C75 HydrophobicContact CG-CB 4.46Å; Y47-C91 HydrophobicContact CD1-CB 4.2Å; Y47-C92 CarbonylContact C-O 3.53Å; Y47-C92 WeakPolarHBondContact CA-O 2.94Å; Y47-Q93 HydrophobicContact CD1-CG 3.49Å; Y47-Q93 VanDerWaalsContact CD1-CG 3.49Å; Y47-Q93 HydrophobicContact CE1-CG 3.53Å; Y47-Q93 HydrophobicContact CG-CG 4.37Å; Y47-Q93 VanDerWaalsContact CZ-NE2 3.26Å; Y47-Q93 PolarHBondContact OH-NE2 3.05Å
48C93.9Very high89.6Confident0 Ų051.3 Ų51.30%032%0.321CS..EExtended strand (participates in β ladder)trans-80.1124.6155.6-55.90000108.6C23 G70 C91 C92 C97 N98C23-C48 VanDerWaalsContact CA-SG 3.6Å; C23-C48 HydrophobicContact CB-CB 3.7Å; C23-C48 WeakPolarHBondContact CB-SG 3.04Å; C23-C48 WeakPolarHBondContact SG-CA 3.31Å; C23-C48 WeakPolarHBondContact SG-CB 3.37Å; C23-C48 CovalentContact SG-SG 2.02Å; C23-C48 PolarHBondContact SG-SG 3.12Å; C48-G70 WeakPolarHBondContact CA-O 3.47Å; C48-C91 VanDerWaalsContact O-CA 3.29Å; C48-C91 WeakPolarHBondContact O-CA 3.03Å; C48-C92 PolarHBondContact N-O 2.85Å; C48-C92 PolarHBondContact O-N 3.48Å; C48-C97 VanDerWaalsContact SG-SG 3.62Å; C48-N98 HydrophobicContact CB-CB 3.86Å
49V93.4Very high88.4Confident11 Ų1156 Ų567%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-111.3137.9-179.5-174.20000109.5V51 K69 G70 P76 T89 H90V49-V51 HydrophobicContact CG1-CG2 3.9Å; V49-K69 CarbonylContact O-C 3.59Å; V49-K69 VanDerWaalsContact O-CA 3.23Å; V49-K69 WeakPolarHBondContact O-CA 3.44Å; V49-G70 PolarHBondContact N-O 3.39Å; V49-G70 PolarHBondContact O-N 2.83Å; V49-P76 HydrophobicContact CG1-CG 3.75Å; V49-T89 HydrophobicContact CG1-CG2 4.39Å; V49-H90 CarbonylContact C-O 3.52Å; V49-H90 WeakPolarHBondContact CA-O 3.49Å
50T92.6Very high87.1Confident3 Ų359.9 Ų59.92%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-120.8124.5167.9-60.10000108L67 N68 K69 T89 H90 N98T50-L67 HydrophobicContact CG2-CD1 3.59Å; T50-N68 WeakPolarHBondContact CA-O 3.47Å; T50-K69 HydrophobicContact CG2-CG 4.05Å; T50-T89 CarbonylContact O-C 3.53Å; T50-T89 WeakPolarHBondContact O-CA 3.45Å; T50-H90 PolarHBondContact N-O 2.83Å; T50-H90 PolarHBondContact O-N 3.33Å; T50-N98 WeakPolarHBondContact OG1-CB 3.42Å
51V91.3Very high86.2Confident48 Ų4856.8 Ų56.829%0.29135%0.351SS..EExtended strand (participates in β ladder)trans-118.9120173.3-1750000108.4V49 N68 V87 G88 T89V49-V51 HydrophobicContact CG1-CG2 3.9Å; V51-N68 HydrophobicContact CB-CB 4.44Å; V51-N68 PolarHBondContact N-O 3.04Å; V51-N68 PolarHBondContact O-N 3.48Å; V51-V87 HydrophobicContact CG1-CG1 3.89Å; V51-G88 CarbonylContact C-O 3.55Å; V51-G88 VanDerWaalsContact CA-O 3.27Å; V51-G88 WeakPolarHBondContact CA-O 3.48Å; V51-T89 HydrophobicContact CG2-CG2 4.49Å
52S90.1Very high85.6Confident24 Ų2462.4 Ų62.417%0.16838%0.381CS..EExtended strand (participates in β ladder)trans-109.7144.5170.957.80000109.5T66 V87 G88S52-T66 CarbonylContact C-O 3.57Å; S52-T66 VanDerWaalsContact CA-O 3.29Å; S52-T66 WeakPolarHBondContact CA-O 3.29Å; S52-V87 CarbonylContact O-C 3.48Å; S52-V87 WeakPolarHBondContact O-CA 3.44Å; S52-G88 PolarHBondContact N-O 2.85Å; S52-G88 PolarHBondContact O-N 2.84Å
53A88.3Confident85Confident36 Ų3665.5 Ų65.530%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-135.3127.6173.300000108.2Y65 T66 S86 V87A53-Y65 CarbonylContact O-C 3.6Å; A53-Y65 WeakPolarHBondContact O-CA 2.97Å; A53-T66 PolarHBondContact N-O 3.49Å; A53-T66 PolarHBondContact O-N 3.46Å; A53-S86 CarbonylContact C-O 3.51Å; A53-S86 VanDerWaalsContact CA-O 3.31Å; A53-S86 WeakPolarHBondContact CA-O 3.39Å; A53-V87 HydrophobicContact CB-CG2 4.26Å
54S88Confident84.7Confident44 Ų4460.2 Ų60.231%0.30837%0.366SS..EExtended strand (participates in β ladder)trans-126.5146.7169.936.60000109.8G64 A85 S86S54-G64 VanDerWaalsContact CA-O 3.31Å; S54-G64 WeakPolarHBondContact CA-O 3.35Å; S54-A85 CarbonylContact O-C 3.52Å; S54-A85 WeakPolarHBondContact O-CA 3.49Å; S54-S86 PolarHBondContact N-O 2.99Å; S54-S86 PolarHBondContact O-N 3.13Å; S54-S86 PolarHBondContact OG-OG 3Å
55A85.4Confident84.7Confident32 Ų3261 Ų6126%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-130138.8170.800000109.6F63 G64 V84 A85A55-F63 HydrophobicContact CB-CB 3.86Å; A55-F63 WeakPolarHBondContact O-CA 3.43Å; A55-F63 WeakPolarHBondContact O-CB 3.32Å; A55-F63 PolarHBondContact O-N 3.47Å; A55-G64 PolarHBondContact N-O 3.41Å; A55-G64 PolarHBondContact O-N 2.95Å; A55-V84 CarbonylContact C-O 3.6Å; A55-V84 WeakPolarHBondContact CA-O 3.47Å; A55-V84 WeakPolarHBondContact CB-O 3.48Å; A55-A85 HydrophobicContact CB-CB 4.3Å
56G83.3Confident84.6Confident16 Ų1661.8 Ų61.817%0.16537%0.366CS..EExtended strand (participates in β ladder)trans-176.9163.1-177.400000112.3V61 V84G56-V61 CarbonylContact C-O 3.44Å; G56-V61 WeakPolarHBondContact CA-O 3.4Å; G56-V84 PolarHBondContact N-O 3.09Å; G56-V84 CarbonylContact O-C 3.57Å; G56-V84 VanDerWaalsContact O-CA 3.3Å; G56-V84 WeakPolarHBondContact O-CA 3.37Å
57I77.9Confident84.7Confident85 Ų8557.7 Ų57.744%0.43634%0.344SS..EExtended strand (participates in β ladder)trans-113.8104.3173.3-63.9158.4000106.8V60 V61 F63 V84I57-V60 HydrophobicContact CG2-CG2 4.41Å; I57-V60 WeakPolarHBondContact O-CG2 3.13Å; I57-V60 PolarHBondContact O-N 3.38Å; I57-V61 HydrophobicContact CB-CB 4.34Å; I57-V61 PolarHBondContact N-O 3.02Å; I57-V61 PolarHBondContact O-N 3.48Å; I57-F63 HydrophobicContact CD1-CE2 3.66Å; I57-F63 HydrophobicContact CD1-CZ 3.91Å; I57-F63 HydrophobicContact CG1-CE2 3.87Å; I57-V84 HydrophobicContact CG1-CG1 4.17Å
58G69.7Low84.7Confident68 Ų6857 Ų5770%0.70135%0.345SS*.THydrogen-bonded Turntrans51.7-143.5-175.600000112.5V60G58-V60 VanDerWaalsContact C-N 3.34Å
59N68.8Low84.8Confident179 Ų17957.7 Ų57.796%0.95735%0.348SS*.THydrogen-bonded Turntrans-93.211.9174.2-64.3-42000113
60V69.5Low84.8Confident124 Ų12458 Ų5875%0.75235%0.353SS*.THydrogen-bonded Turntrans-103.7-28.5-170.5-72.30000113.5I57 G58I57-V60 HydrophobicContact CG2-CG2 4.41Å; I57-V60 WeakPolarHBondContact O-CG2 3.13Å; I57-V60 PolarHBondContact O-N 3.38Å; G58-V60 VanDerWaalsContact C-N 3.34Å
61V76.7Confident84.9Confident60 Ų6059.6 Ų59.636%0.36436%0.364SS..EExtended strand (participates in β ladder)trans-137.1122.7179.5-170.70000109.8G56 I57 F63G56-V61 CarbonylContact C-O 3.44Å; G56-V61 WeakPolarHBondContact CA-O 3.4Å; I57-V61 HydrophobicContact CB-CB 4.34Å; I57-V61 PolarHBondContact N-O 3.02Å; I57-V61 PolarHBondContact O-N 3.48Å; V61-F63 HydrophobicContact CB-CE2 4.48Å; V61-F63 HydrophobicContact CB-CZ 4.42Å; V61-F63 HydrophobicContact CG1-CD1 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.37Å; V61-F63 HydrophobicContact CG1-CE1 3.66Å; V61-F63 HydrophobicContact CG1-CE2 3.92Å; V61-F63 HydrophobicContact CG1-CG 4.48Å; V61-F63 HydrophobicContact CG1-CZ 3.54Å
62D81.6Confident85.1Confident127 Ų12758.5 Ų58.568%0.67936%0.358SS*.EExtended strand (participates in β ladder)trans-104.7117.4171.1-176.67.7000109.1G64D62-G64 WeakPolarHBondContact OD1-CA 3.47Å; D62-G64 PolarHBondContact OD1-N 2.88Å
63F80.1Confident85.2Confident126 Ų12660.4 Ų60.455%0.55337%0.371SS*.EExtended strand (participates in β ladder)trans-93.5-1.7175.9-64.6-65.2000112.5A55 I57 V61 V84A55-F63 HydrophobicContact CB-CB 3.86Å; A55-F63 WeakPolarHBondContact O-CA 3.43Å; A55-F63 WeakPolarHBondContact O-CB 3.32Å; A55-F63 PolarHBondContact O-N 3.47Å; I57-F63 HydrophobicContact CD1-CE2 3.66Å; I57-F63 HydrophobicContact CD1-CZ 3.91Å; I57-F63 HydrophobicContact CG1-CE2 3.87Å; V61-F63 HydrophobicContact CB-CE2 4.48Å; V61-F63 HydrophobicContact CB-CZ 4.42Å; V61-F63 HydrophobicContact CG1-CD1 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.37Å; V61-F63 HydrophobicContact CG1-CE1 3.66Å; V61-F63 HydrophobicContact CG1-CE2 3.92Å; V61-F63 HydrophobicContact CG1-CG 4.48Å; V61-F63 HydrophobicContact CG1-CZ 3.54Å; F63-V84 HydrophobicContact CE2-CG1 4.5Å
64G84Confident85.3Confident32 Ų3264.5 Ų64.533%0.3339%0.386SS..EExtended strand (participates in β ladder)trans124.1160.2170.800000113.7S54 A55 D62S54-G64 VanDerWaalsContact CA-O 3.31Å; S54-G64 WeakPolarHBondContact CA-O 3.35Å; A55-G64 PolarHBondContact N-O 3.41Å; A55-G64 PolarHBondContact O-N 2.95Å; D62-G64 WeakPolarHBondContact OD1-CA 3.47Å; D62-G64 PolarHBondContact OD1-N 2.88Å
65Y88.9Confident85.3Confident83 Ų8365.3 Ų65.333%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-126.2134.8175.7171.8-95.7000110.6N30 A53 L67N30-Y65 VanDerWaalsContact O-CD1 3.26Å; N30-Y65 WeakPolarHBondContact O-CD1 3.47Å; N30-Y65 WeakPolarHBondContact O-CE1 3.23Å; A53-Y65 CarbonylContact O-C 3.6Å; A53-Y65 WeakPolarHBondContact O-CA 2.97Å; Y65-L67 HydrophobicContact CE1-CB 3.96Å
66T90.7Very high85Confident44 Ų4466.5 Ų66.527%0.2740%0.396SS..EExtended strand (participates in β ladder)trans-131137.4179.8-55.30000110.1N28 K29 S52 A53N28-T66 HydrophobicContact CB-CG2 4.31Å; N28-T66 WeakPolarHBondContact ND2-CG2 3.46Å; K29-T66 CarbonylContact O-C 3.46Å; S52-T66 CarbonylContact C-O 3.57Å; S52-T66 VanDerWaalsContact CA-O 3.29Å; S52-T66 WeakPolarHBondContact CA-O 3.29Å; A53-T66 PolarHBondContact N-O 3.49Å; A53-T66 PolarHBondContact O-N 3.46Å
67L91.9Very high84.4Confident0 Ų068.1 Ų68.10%041%0.413CS..EExtended strand (participates in β ladder)trans-126.4129.9177.5-176.865.8000109.8C26 N28 K29 N32 C35 T50 Y65 A101C26-L67 PolarHBondContact SG-O 2.91Å; C26-L67 VanDerWaalsContact SG-O 3.41Å; N28-L67 PolarHBondContact N-O 3.31Å; K29-L67 PolarHBondContact N-O 3.3Å; K29-L67 WeakPolarHBondContact O-CA 3.04Å; K29-L67 WeakPolarHBondContact O-CB 3.23Å; K29-L67 PolarHBondContact O-N 3.42Å; N32-L67 HydrophobicContact CB-CD2 4.27Å; C35-L67 HydrophobicContact CB-CD2 3.92Å; T50-L67 HydrophobicContact CG2-CD1 3.59Å; Y65-L67 HydrophobicContact CE1-CB 3.96Å; L67-A101 HydrophobicContact CD1-CB 4.14Å; L67-A101 HydrophobicContact CD2-CB 4.28Å
68N92.9Very high84.1Confident56 Ų5669.4 Ų69.430%0.29943%0.427SS..EExtended strand (participates in β ladder)trans-125.8141.9173.9-77.144.9000109C26 N28 T50 V51C26-N68 WeakPolarHBondContact O-CA 3.22Å; N28-N68 PolarHBondContact N-OD1 2.93Å; T50-N68 WeakPolarHBondContact CA-O 3.47Å; V51-N68 HydrophobicContact CB-CB 4.44Å; V51-N68 PolarHBondContact N-O 3.04Å; V51-N68 PolarHBondContact O-N 3.48Å
69K94.8Very high84.4Confident13 Ų1369.9 Ų69.96%0.05742%0.419CS..EExtended strand (participates in β ladder)trans-137.5151.8173.1-66.3-176.4-169.2174.50110.3F24 S25 C26 N32 C35 V49 T50 N98 I99F24-K69 HydrophobicContact CB-CD 4.02Å; F24-K69 VanDerWaalsContact O-CB 3.22Å; F24-K69 WeakPolarHBondContact O-CB 3.02Å; S25-K69 VanDerWaalsContact CA-O 3.27Å; S25-K69 WeakPolarHBondContact CA-O 3.46Å; C26-K69 PolarHBondContact N-O 3.39Å; C26-K69 PolarHBondContact O-N 3.06Å; N32-K69 PolarHBondContact ND2-NZ 2.98Å; C35-K69 PolarHBondContact O-NZ 3.45Å; C35-K69 VanDerWaalsContact O-NZ 3.1Å; C35-K69 WeakPolarHBondContact SG-CD 3.27Å; C35-K69 WeakPolarHBondContact SG-CG 3.42Å; V49-K69 CarbonylContact O-C 3.59Å; V49-K69 VanDerWaalsContact O-CA 3.23Å; V49-K69 WeakPolarHBondContact O-CA 3.44Å; T50-K69 HydrophobicContact CG2-CG 4.05Å; K69-N98 WeakPolarHBondContact CD-O 3.22Å; K69-N98 VanDerWaalsContact CE-O 3.24Å; K69-N98 WeakPolarHBondContact CE-O 3.18Å; K69-N98 PolarHBondContact NZ-O 2.96Å; K69-I99 PolarHBondContact NZ-O 3.48Å
70G94.6Very high84.7Confident18 Ų1865.7 Ų65.719%0.18640%0.4CS..EExtended strand (participates in β ladder)trans-177.1-169.2177.100000114C48 V49C48-G70 WeakPolarHBondContact CA-O 3.47Å; V49-G70 PolarHBondContact N-O 3.39Å; V49-G70 PolarHBondContact O-N 2.83Å
71C94.9Very high84.8Confident37 Ų3765.6 Ų65.625%0.2540%0.395CS..EExtended strand (participates in β ladder)trans-100.5149.4174.6-510000109.5C41 D45 Y47C41-C71 WeakPolarHBondContact CA-SG 3.31Å; C41-C71 HydrophobicContact CB-CB 3.5Å; C41-C71 VanDerWaalsContact CB-CB 3.5Å; C41-C71 WeakPolarHBondContact CB-SG 3.43Å; C41-C71 WeakPolarHBondContact SG-CB 3.45Å; C41-C71 CovalentContact SG-SG 2.03Å; C41-C71 PolarHBondContact SG-SG 2.96Å; D45-C71 HydrophobicContact CB-CB 3.91Å; D45-C71 VanDerWaalsContact OD2-CB 3.27Å; D45-C71 WeakPolarHBondContact OD2-CB 3.35Å; Y47-C71 CarbonylContact O-C 3.32Å; Y47-C71 WeakPolarHBondContact O-CA 3.31Å
72S94Very high84.7Confident24 Ų2470 Ų7017%0.16842%0.416CS..EExtended strand (participates in β ladder)trans-153.1147.1175-175.40000111.1N46 Y47 I74N46-S72 PolarHBondContact N-O 2.03Å; N46-S72 VanDerWaalsContact N-O 3.17Å; Y47-S72 PolarHBondContact N-O 3.02Å; Y47-S72 PolarHBondContact O-N 3.45Å; S72-I74 VanDerWaalsContact C-N 3.26Å; S72-I74 VanDerWaalsContact CB-O 3.23Å; S72-I74 WeakPolarHBondContact CB-O 3.41Å; S72-I74 PolarHBondContact OG-N 2.83Å; S72-I74 PolarHBondContact OG-O 2.96Å
73P92.4Very high84.1Confident65 Ų6567 Ų6742%0.42242%0.415SS..SBendtrans-71-26.1172.429.7-35000112.1S44 D45 Y47S44-P73 WeakPolarHBondContact O-CA 3.3Å; S44-P73 VanDerWaalsContact O-CB 3.31Å; S44-P73 WeakPolarHBondContact O-CB 3.37Å; D45-P73 VanDerWaalsContact OD1-CD 3.27Å; D45-P73 WeakPolarHBondContact OD1-CD 3.45Å; Y47-P73 WeakPolarHBondContact CD2-O 3.38Å; Y47-P73 WeakPolarHBondContact CE2-O 3.45Å
74I90.6Very high83.8Confident121 Ų12164.9 Ų64.962%0.62141%0.412SS*.SBendtrans-127.9149.2-179.559.6170.9000110.9S72 P76S72-I74 VanDerWaalsContact C-N 3.26Å; S72-I74 VanDerWaalsContact CB-O 3.23Å; S72-I74 WeakPolarHBondContact CB-O 3.41Å; S72-I74 PolarHBondContact OG-N 2.83Å; S72-I74 PolarHBondContact OG-O 2.96Å; I74-P76 VanDerWaalsContact O-CD 3.28Å; I74-P76 WeakPolarHBondContact O-CD 3.41Å
75C88.6Confident83.6Confident62 Ų6265.5 Ų65.542%0.41941%0.414SS..PPolyproline II helixtrans-79.6116.8169.3-178.90000109.6Y47 C91Y47-C75 HydrophobicContact CD1-CB 4.32Å; Y47-C75 HydrophobicContact CG-CB 4.46Å; C75-C91 WeakPolarHBondContact CA-SG 3.24Å; C75-C91 HydrophobicContact CB-CB 3.67Å; C75-C91 WeakPolarHBondContact CB-SG 3.27Å; C75-C91 WeakPolarHBondContact SG-CB 3.48Å; C75-C91 CovalentContact SG-SG 2.03Å; C75-C91 PolarHBondContact SG-SG 3.22Å
76P78.2Confident83.3Confident56 Ų5663.1 Ų63.136%0.36441%0.409SS..PPolyproline II helixtrans-62.1155.9174.620.2-24.7000111.2V49 I74 T89V49-P76 HydrophobicContact CG1-CG 3.75Å; I74-P76 VanDerWaalsContact O-CD 3.28Å; I74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-T89 HydrophobicContact CB-CG2 4.41Å; P76-T89 HydrophobicContact CG-CG2 3.86Å
77G72.6Confident83Confident50 Ų5063.3 Ų63.352%0.51541%0.411SS..PPolyproline II helixtrans-55.9172.3-171.200000115.9T89G77-T89 WeakPolarHBondContact O-CB 3.41Å; G77-T89 PolarHBondContact O-OG1 3.08Å
78P70.2Confident82.8Confident113 Ų11364.4 Ų64.473%0.73442%0.421SS*.PPolyproline II helixtrans-64164.2-166.927.8-35.3000113.1V80P78-V80 PolarHBondContact O-N 2.01Å
79S75.7Confident82.6Confident77 Ų7763.1 Ų63.154%0.53842%0.416SS..PPolyproline II helixtrans-57134.2172.349.60000111.2V87S79-V87 CarbonylContact C-O 3.41Å; S79-V87 WeakPolarHBondContact CA-O 3.47Å; S79-V87 WeakPolarHBondContact CB-O 3.28Å
80V76.4Confident82.3Confident91 Ų9165.1 Ų65.155%0.55243%0.425SS*.EExtended strand (participates in β ladder)trans-114.5128.9178.2-65.80000109.3P78 S86 V87P78-V80 PolarHBondContact O-N 2.01Å; V80-S86 CarbonylContact O-C 3.51Å; V80-S86 WeakPolarHBondContact O-CA 3.36Å; V80-V87 HydrophobicContact CG2-CB 3.8Å; V80-V87 HydrophobicContact CG2-CG2 4.16Å; V80-V87 PolarHBondContact N-O 3.08Å; V80-V87 PolarHBondContact O-N 3.09Å
81N71.4Confident82.1Confident122 Ų12265.7 Ų65.765%0.65243%0.426SS*.EExtended strand (participates in β ladder)trans-121.4116.2174.1-167.9-36.2000108.9G83N81-G83 PolarHBondContact OD1-N 3.28Å
82L73.2Confident81.9Confident154 Ų15465 Ų6581%0.80642%0.422SS*.  trans-112.834.5-177.6-154.968.8000110.8V84 A85L82-V84 PolarHBondContact O-N 3.02Å; L82-A85 PolarHBondContact N-O 3.17Å
83G71Confident81.7Confident63 Ų6369.3 Ų69.365%0.64944%0.439SS*.SBendtrans72-5317300000115N81N81-G83 PolarHBondContact OD1-N 3.28Å
84V73.6Confident81.5Confident81 Ų8170 Ų7049%0.49145%0.445SS..SBendtrans-93.8-19.2177.4-173.50000111.6A55 G56 I57 F63 L82A55-V84 CarbonylContact C-O 3.6Å; A55-V84 WeakPolarHBondContact CA-O 3.47Å; A55-V84 WeakPolarHBondContact CB-O 3.48Å; G56-V84 PolarHBondContact N-O 3.09Å; G56-V84 CarbonylContact O-C 3.57Å; G56-V84 VanDerWaalsContact O-CA 3.3Å; G56-V84 WeakPolarHBondContact O-CA 3.37Å; I57-V84 HydrophobicContact CG1-CG1 4.17Å; F63-V84 HydrophobicContact CE2-CG1 4.5Å; L82-V84 PolarHBondContact O-N 3.02Å
85A78.9Confident81.4Confident45 Ų4570.9 Ų70.937%0.37245%0.445SS..EExtended strand (participates in β ladder)trans-140.6138.4176.800000110.6S54 A55 L82S54-A85 CarbonylContact O-C 3.52Å; S54-A85 WeakPolarHBondContact O-CA 3.49Å; A55-A85 HydrophobicContact CB-CB 4.3Å; L82-A85 PolarHBondContact N-O 3.17Å
86S82.8Confident81.6Confident33 Ų3370 Ų7023%0.23144%0.436CS..EExtended strand (participates in β ladder)trans-129.7128.5176.760.60000110.2A53 S54 V80A53-S86 CarbonylContact C-O 3.51Å; A53-S86 VanDerWaalsContact CA-O 3.31Å; A53-S86 WeakPolarHBondContact CA-O 3.39Å; S54-S86 PolarHBondContact N-O 2.99Å; S54-S86 PolarHBondContact O-N 3.13Å; S54-S86 PolarHBondContact OG-OG 3Å; V80-S86 CarbonylContact O-C 3.51Å; V80-S86 WeakPolarHBondContact O-CA 3.36Å
87V85.1Confident82.2Confident49 Ų4969.1 Ų69.130%0.29743%0.431SS..EExtended strand (participates in β ladder)trans-113.5117.5173.3-177.70000108.3V51 S52 A53 S79 V80V51-V87 HydrophobicContact CG1-CG1 3.89Å; S52-V87 CarbonylContact O-C 3.48Å; S52-V87 WeakPolarHBondContact O-CA 3.44Å; A53-V87 HydrophobicContact CB-CG2 4.26Å; S79-V87 CarbonylContact C-O 3.41Å; S79-V87 WeakPolarHBondContact CA-O 3.47Å; S79-V87 WeakPolarHBondContact CB-O 3.28Å; V80-V87 HydrophobicContact CG2-CB 3.8Å; V80-V87 HydrophobicContact CG2-CG2 4.16Å; V80-V87 PolarHBondContact N-O 3.08Å; V80-V87 PolarHBondContact O-N 3.09Å
88G86.2Confident83.2Confident22 Ų2266.7 Ų66.723%0.22741%0.406CS..EExtended strand (participates in β ladder)trans-94.8132172.100000110.6V51 S52V51-G88 CarbonylContact C-O 3.55Å; V51-G88 VanDerWaalsContact CA-O 3.27Å; V51-G88 WeakPolarHBondContact CA-O 3.48Å; S52-G88 PolarHBondContact N-O 2.85Å; S52-G88 PolarHBondContact O-N 2.84Å
89T89.3Confident84.1Confident30 Ų3065.5 Ų65.518%0.18439%0.392CS..EExtended strand (participates in β ladder)trans-125.4125173.8-55.90000108.6V49 T50 V51 P76 G77V49-T89 HydrophobicContact CG1-CG2 4.39Å; T50-T89 CarbonylContact O-C 3.53Å; T50-T89 WeakPolarHBondContact O-CA 3.45Å; V51-T89 HydrophobicContact CG2-CG2 4.49Å; P76-T89 HydrophobicContact CB-CG2 4.41Å; P76-T89 HydrophobicContact CG-CG2 3.86Å; G77-T89 WeakPolarHBondContact O-CB 3.41Å; G77-T89 PolarHBondContact O-OG1 3.08Å
90H88.4Confident84.4Confident54 Ų5464.5 Ų64.525%0.2539%0.386CS..EExtended strand (participates in β ladder)trans-131.4136.5177.3176.5-90.8000110.6V49 T50 D103V49-H90 CarbonylContact C-O 3.52Å; V49-H90 WeakPolarHBondContact CA-O 3.49Å; T50-H90 PolarHBondContact N-O 2.83Å; T50-H90 PolarHBondContact O-N 3.33Å; H90-D103 IonicContact CD2-OD1 3.12Å; H90-D103 PolarHBondContact CD2-OD1 3.46Å; H90-D103 IonicContact CG-OD1 3.94Å
91C90.8Very high83.8Confident30 Ų3061.9 Ų61.920%0.20337%0.373CS..EExtended strand (participates in β ladder)trans-128.1144.8-178.6-560000111.7Y47 C48 C75Y47-C91 HydrophobicContact CD1-CB 4.2Å; C48-C91 VanDerWaalsContact O-CA 3.29Å; C48-C91 WeakPolarHBondContact O-CA 3.03Å; C75-C91 WeakPolarHBondContact CA-SG 3.24Å; C75-C91 HydrophobicContact CB-CB 3.67Å; C75-C91 WeakPolarHBondContact CB-SG 3.27Å; C75-C91 WeakPolarHBondContact SG-CB 3.48Å; C75-C91 CovalentContact SG-SG 2.03Å; C75-C91 PolarHBondContact SG-SG 3.22Å
92C90.1Very high83.1Confident24 Ų2459.3 Ų59.316%0.16237%0.369CS..EExtended strand (participates in β ladder)trans-152.5162175.157.40000110.7Y47 C48 C97Y47-C92 CarbonylContact C-O 3.53Å; Y47-C92 WeakPolarHBondContact CA-O 2.94Å; C48-C92 PolarHBondContact N-O 2.85Å; C48-C92 PolarHBondContact O-N 3.48Å; C92-C97 HydrophobicContact CB-CB 3.78Å; C92-C97 WeakPolarHBondContact CB-SG 3.02Å; C92-C97 WeakPolarHBondContact SG-CB 3.39Å; C92-C97 CovalentContact SG-SG 2.01Å; C92-C97 PolarHBondContact SG-SG 2.78Å
93Q89.8Confident82Confident113 Ų11358.2 Ų58.253%0.52836%0.364SS..  trans-121.915.7-168.4-52-171.4-83.600113.8N46 Y47N46-Q93 VanDerWaalsContact O-CG 3.26Å; N46-Q93 WeakPolarHBondContact O-CG 3.46Å; N46-Q93 PolarHBondContact O-NE2 2.78Å; N46-Q93 VanDerWaalsContact O-NE2 3.16Å; Y47-Q93 HydrophobicContact CD1-CG 3.49Å; Y47-Q93 VanDerWaalsContact CD1-CG 3.49Å; Y47-Q93 HydrophobicContact CE1-CG 3.53Å; Y47-Q93 HydrophobicContact CG-CG 4.37Å; Y47-Q93 VanDerWaalsContact CZ-NE2 3.26Å; Y47-Q93 PolarHBondContact OH-NE2 3.05Å
94S87.8Confident81Confident80 Ų8058.5 Ų58.556%0.55937%0.367SS*.SBendtrans-108155.7-178.7-56.10000111.3L96 C97S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 VanDerWaalsContact O-N 3.17Å; S94-C97 VanDerWaalsContact O-CB 3.23Å; S94-C97 WeakPolarHBondContact O-CB 3.3Å; S94-C97 PolarHBondContact O-N 2.87Å; S94-C97 VanDerWaalsContact O-N 3.08Å; S94-C97 PolarHBondContact O-SG 3.3Å
95F90.1Very high79.8Confident140 Ų14057.2 Ų57.261%0.61437%0.37SS*.THydrogen-bonded Turntrans-51.2121.7176.6-175.6-92.8000111.5V22 C97V22-F95 HydrophobicContact CB-CD2 3.64Å; V22-F95 HydrophobicContact CB-CE2 3.42Å; V22-F95 VanDerWaalsContact CB-CE2 3.42Å; V22-F95 HydrophobicContact CB-CZ 4.26Å; V22-F95 HydrophobicContact CG1-CE2 4.03Å; V22-F95 HydrophobicContact CG1-CZ 4.43Å; V22-F95 HydrophobicContact CG2-CD2 3.91Å; V22-F95 HydrophobicContact CG2-CE2 3.52Å; F95-C97 PolarHBondContact O-N 3.12Å; F95-C97 VanDerWaalsContact O-N 3.09Å
96L92.4Very high78.2Confident42 Ų4263.3 Ų63.322%0.2240%0.395CS..THydrogen-bonded Turntrans52.527.5179.8-60.3179.9000114.5V22 F24 P38 S94 N98 I99V22-L96 HydrophobicContact CG1-CD2 3.88Å; V22-L96 PolarHBondContact O-N 3.31Å; F24-L96 HydrophobicContact CD1-CD2 4.18Å; F24-L96 HydrophobicContact CD2-CB 4.32Å; F24-L96 HydrophobicContact CD2-CD2 4.17Å; F24-L96 HydrophobicContact CE1-CD2 4.02Å; F24-L96 HydrophobicContact CE2-CB 3.73Å; F24-L96 HydrophobicContact CE2-CD1 4.43Å; F24-L96 HydrophobicContact CE2-CD2 3.98Å; F24-L96 HydrophobicContact CE2-CG 4.26Å; F24-L96 HydrophobicContact CG-CD2 4.29Å; F24-L96 HydrophobicContact CZ-CB 4.15Å; F24-L96 HydrophobicContact CZ-CD1 3.99Å; F24-L96 HydrophobicContact CZ-CD2 3.92Å; F24-L96 HydrophobicContact CZ-CG 4.25Å; P38-L96 HydrophobicContact CB-CD2 4.13Å; S94-L96 PolarHBondContact O-N 2.82Å; S94-L96 VanDerWaalsContact O-N 3.17Å; L96-N98 PolarHBondContact O-N 2.82Å; L96-I99 PolarHBondContact O-N 2.82Å
97C91.3Very high76.6Confident38 Ų3872.7 Ų72.726%0.25743%0.426SS..G310 helixtrans-65.6-24.1-175.163.20000113.9C48 C92 S94 F95 I99C48-C97 VanDerWaalsContact SG-SG 3.62Å; C92-C97 HydrophobicContact CB-CB 3.78Å; C92-C97 WeakPolarHBondContact CB-SG 3.02Å; C92-C97 WeakPolarHBondContact SG-CB 3.39Å; C92-C97 CovalentContact SG-SG 2.01Å; C92-C97 PolarHBondContact SG-SG 2.78Å; S94-C97 VanDerWaalsContact O-CB 3.23Å; S94-C97 WeakPolarHBondContact O-CB 3.3Å; S94-C97 PolarHBondContact O-N 2.87Å; S94-C97 VanDerWaalsContact O-N 3.08Å; S94-C97 PolarHBondContact O-SG 3.3Å; F95-C97 PolarHBondContact O-N 3.12Å; F95-C97 VanDerWaalsContact O-N 3.09Å; C97-I99 PolarHBondContact O-N 2.92Å; C97-I99 VanDerWaalsContact O-N 3.12Å
98N92.3Very high75Confident0 Ų073.6 Ų73.60%044%0.438CS..G310 helixtrans-84.231.8178.271.6-24.3000113F24 C48 T50 K69 L96F24-N98 WeakPolarHBondContact CB-OD1 3.07Å; F24-N98 PolarHBondContact N-OD1 2.66Å; F24-N98 PolarHBondContact O-ND2 3Å; C48-N98 HydrophobicContact CB-CB 3.86Å; T50-N98 WeakPolarHBondContact OG1-CB 3.42Å; K69-N98 WeakPolarHBondContact CD-O 3.22Å; K69-N98 VanDerWaalsContact CE-O 3.24Å; K69-N98 WeakPolarHBondContact CE-O 3.18Å; K69-N98 PolarHBondContact NZ-O 2.96Å; L96-N98 PolarHBondContact O-N 2.82Å
99I90.4Very high73.6Confident87 Ų8775.3 Ų75.345%0.44645%0.447SS..G310 helixtrans-59.8-46.9176.1-167.7166.9000110.8F24 N32 L36 K69 L96 C97F24-I99 HydrophobicContact CD2-CB 4.17Å; F24-I99 HydrophobicContact CE2-CB 3.7Å; F24-I99 HydrophobicContact CE2-CD1 4.3Å; F24-I99 HydrophobicContact CE2-CG1 3.81Å; F24-I99 HydrophobicContact CZ-CG1 4.42Å; N32-I99 PolarHBondContact ND2-O 3.1Å; N32-I99 PolarHBondContact OD1-O 2.99Å; N32-I99 VanDerWaalsContact OD1-O 3.07Å; L36-I99 HydrophobicContact CD2-CG1 3.93Å; K69-I99 PolarHBondContact NZ-O 3.48Å; L96-I99 PolarHBondContact O-N 2.82Å; C97-I99 PolarHBondContact O-N 2.92Å; C97-I99 VanDerWaalsContact O-N 3.12Å
100S81Confident72.4Confident57 Ų5777.8 Ų77.840%0.39947%0.47SS..  trans-93.5147.6-179.6-62.40000111.6
101A64.6Low71.3Confident35 Ų3578.5 Ų78.529%0.28949%0.486SS..SBendtrans-86.3-13.2171.100000112.7N32 L67N32-A101 PolarHBondContact ND2-N 2.79Å; L67-A101 HydrophobicContact CD1-CB 4.14Å; L67-A101 HydrophobicContact CD2-CB 4.28Å
102A55.5Low70.4Confident68 Ų6882 Ų8256%0.56251%0.506SS*.SBendtrans-86.8131.2179.200000110.8G104A102-G104 PolarHBondContact O-N 2.8Å
103D51Low69.6Low131 Ų13186 Ų8670%0.70153%0.525SS*.SBendtrans-49.4123.4159.4-80.7-55.6000109H90H90-D103 IonicContact CD2-OD1 3.12Å; H90-D103 PolarHBondContact CD2-OD1 3.46Å; H90-D103 IonicContact CG-OD1 3.94Å
104G49.3Very low68.9Low70 Ų7082 Ų8272%0.72251%0.513SS*.  trans111.944.7177.700000115.3A102A102-G104 PolarHBondContact O-N 2.8Å
105G47.8Very low68.5Low53 Ų5383.2 Ų83.255%0.54651%0.513SS..  trans-53.8141.5155.800000109.9R107G105-R107 PolarHBondContact O-N 3.12Å
106L46.4Very low68.1Low173 Ų17378.5 Ų78.591%0.90650%0.504SS*.  trans-54.9101.7174.5-128.678.5000107.9A108L106-A108 PolarHBondContact O-N 2.99Å
107R49.6Very low67.5Low231 Ų23182 Ų8287%0.87252%0.522SS*.  trans-76.272177.1-167.5171.8156.8-124.8-4.3106.9G105 S109G105-R107 PolarHBondContact O-N 3.12Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.04Å
108A51.3Low67Low67 Ų6785.5 Ų85.555%0.55454%0.538SS*.  trans-63.5101.3172.200000106.5L106 A110 L113L106-A108 PolarHBondContact O-N 2.99Å; A108-A110 PolarHBondContact O-N 3.41Å; A108-L113 HydrophobicContact CB-CD1 4.45Å
109S57.1Low66.5Low58 Ų5890.5 Ų90.541%0.40656%0.564SS.*  trans-57.3116.1178.8-66.70000108.5R107 A111 V112 L113R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.04Å; S109-A111 PolarHBondContact O-N 3Å; S109-V112 WeakPolarHBondContact O-CB 3.2Å; S109-V112 PolarHBondContact O-N 2.73Å; S109-L113 PolarHBondContact O-N 2.78Å
110A63.8Low65.9Low83 Ų8389.8 Ų89.869%0.68657%0.567SS**Hα-helixtrans-52.1-30.2174.500000111.6A108 V112 L113 G114A108-A110 PolarHBondContact O-N 3.41Å; A110-V112 PolarHBondContact O-N 3.41Å; A110-L113 PolarHBondContact O-N 2Å; A110-G114 PolarHBondContact O-N 2.83Å
111A65.3Low65.8Low69 Ų6991.1 Ų91.157%0.5757%0.569SS**Hα-helixtrans-60.7-38.9172.200000113.9S109 L115S109-A111 PolarHBondContact O-N 3Å; A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 WeakPolarHBondContact O-CD1 3.42Å; A111-L115 PolarHBondContact O-N 3.07Å
112V71.1Confident66.6Low102 Ų10294.4 Ų94.462%0.61858%0.581SS**Hα-helixtrans-72.4-42.6179.7174.80000110.5S109 A110 G114 L115 G116S109-V112 WeakPolarHBondContact O-CB 3.2Å; S109-V112 PolarHBondContact O-N 2.73Å; A110-V112 PolarHBondContact O-N 3.41Å; V112-G114 VanDerWaalsContact C-N 3.34Å; V112-L115 PolarHBondContact O-N 2.76Å; V112-G116 PolarHBondContact O-N 2.77Å
113L74.8Confident67.5Low110 Ų11094.3 Ų94.358%0.57658%0.576SS**Hα-helixtrans-64.2-41.1174-65.2175.4000111.3A108 S109 A110 G116 L117A108-L113 HydrophobicContact CB-CD1 4.45Å; S109-L113 PolarHBondContact O-N 2.78Å; A110-L113 PolarHBondContact O-N 2Å; L113-G116 PolarHBondContact O-N 2.97Å; L113-L117 PolarHBondContact O-N 3.1Å
114G74.9Confident68.6Low27 Ų2790.5 Ų90.528%0.27856%0.563SS.*Hα-helixtrans-62.7-46.7175.300000112.7A110 V112 G116 L117 L118A110-G114 PolarHBondContact O-N 2.83Å; V112-G114 VanDerWaalsContact C-N 3.34Å; G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 3.35Å; G114-L117 PolarHBondContact O-N 2.86Å; G114-L118 WeakPolarHBondContact O-CB 3.34Å; G114-L118 WeakPolarHBondContact O-CD1 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.29Å; G114-L118 PolarHBondContact O-N 2.84Å
115L78.5Confident69.5Low107 Ų10791.8 Ų91.856%0.5655%0.553SS**Hα-helixtrans-61.3-42.5174.8-110.294.2000111.7A111 V112 L118 L119A111-L115 WeakPolarHBondContact O-CB 3.31Å; A111-L115 WeakPolarHBondContact O-CD1 3.42Å; A111-L115 PolarHBondContact O-N 3.07Å; V112-L115 PolarHBondContact O-N 2.76Å; L115-L118 PolarHBondContact O-N 2.76Å; L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CD1 3.35Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å
116G80.8Confident70.6Confident40 Ų4095.8 Ų95.841%0.41256%0.561SS.*Hα-helixtrans-61.4-44.7178.800000112.4V112 L113 G114 S120V112-G116 PolarHBondContact O-N 2.77Å; L113-G116 PolarHBondContact O-N 2.97Å; G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 3.35Å; G116-S120 WeakPolarHBondContact O-CB 3.26Å; G116-S120 PolarHBondContact O-N 3.27Å
117L81.7Confident71.5Confident115 Ų11598.3 Ų98.360%0.60256%0.559SS**Hα-helixtrans-62.6-46174.1-83.4157.4000111.8L113 G114 L119 S120 L121L113-L117 PolarHBondContact O-N 3.1Å; G114-L117 PolarHBondContact O-N 2.86Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-S120 PolarHBondContact O-N 3.28Å; L117-L121 WeakPolarHBondContact O-CD1 3.48Å; L117-L121 PolarHBondContact O-N 2.79Å
118L80.2Confident71.8Confident112 Ų11296.3 Ų96.359%0.58656%0.557SS**Hα-helixtrans-60-45.7177.8-79.3160.4000112.2G114 L115 L121 L122G114-L118 WeakPolarHBondContact O-CB 3.34Å; G114-L118 WeakPolarHBondContact O-CD1 3.3Å; G114-L118 WeakPolarHBondContact O-CG 3.29Å; G114-L118 PolarHBondContact O-N 2.84Å; L115-L118 PolarHBondContact O-N 2.76Å; L118-L121 PolarHBondContact O-N 2.78Å; L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.18Å; L118-L122 PolarHBondContact O-N 2.73Å
119L81Confident71.9Confident105 Ų10595.1 Ų95.155%0.5555%0.551SS.*Hα-helixtrans-64.5-39.8178-75.6161.3000111.8L115 L117 L122 S123L115-L119 WeakPolarHBondContact O-CB 3.21Å; L115-L119 WeakPolarHBondContact O-CD1 3.35Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 3.27Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-L122 PolarHBondContact O-N 2.73Å; L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 2.83Å; L119-S123 PolarHBondContact O-OG 2.72Å
120S78.4Confident71.7Confident73 Ų73102.4 Ų102.451%0.5160%0.597SS.*Hα-helixtrans-65.3-44.4176-177.70000112G116 L117 S123 A124G116-S120 WeakPolarHBondContact O-CB 3.26Å; G116-S120 PolarHBondContact O-N 3.27Å; L117-S120 PolarHBondContact O-N 3.28Å; S120-S123 WeakPolarHBondContact CA-OG 3.38Å; S120-S123 PolarHBondContact O-N 2.77Å; S120-S123 PolarHBondContact O-OG 3.5Å; S120-S123 VanDerWaalsContact O-OG 3.1Å; S120-A124 WeakPolarHBondContact O-CB 3.03Å; S120-A124 PolarHBondContact O-N 2.81Å
121L79.1Confident72.1Confident85 Ų85103.4 Ų103.445%0.44559%0.592SS.*Hα-helixtrans-64.4-41.2175-91.986000111.9L117 L118 A124 L125L117-L121 WeakPolarHBondContact O-CD1 3.48Å; L117-L121 PolarHBondContact O-N 2.79Å; L118-L121 PolarHBondContact O-N 2.78Å; L121-A124 PolarHBondContact O-N 3.38Å; L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.02Å; L121-L125 PolarHBondContact O-N 3.35Å
122L80.1Confident72.4Confident103 Ų103105.2 Ų105.254%0.53959%0.594SS.*Hα-helixtrans-65.2-40.6179.8-169.767.2000112L118 L119 L125 L126L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.18Å; L118-L122 PolarHBondContact O-N 2.73Å; L119-L122 PolarHBondContact O-N 2.73Å; L122-L125 PolarHBondContact O-N 3.02Å; L122-L126 HydrophobicContact CG-CD1 4.37Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.77Å
123S75.6Confident72.5Confident66 Ų66105.3 Ų105.346%0.46259%0.592SS.*Hα-helixtrans-71-34.8176.941.70000112.7L119 S120 L126 R127L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 2.83Å; L119-S123 PolarHBondContact O-OG 2.72Å; S120-S123 WeakPolarHBondContact CA-OG 3.38Å; S120-S123 PolarHBondContact O-N 2.77Å; S120-S123 PolarHBondContact O-OG 3.5Å; S120-S123 VanDerWaalsContact O-OG 3.1Å; S123-L126 PolarHBondContact O-N 2.91Å; S123-R127 PolarHBondContact O-N 3.31Å; S123-R127 VanDerWaalsContact O-N 3.09Å
124A73.5Confident72.4Confident52 Ų52105.1 Ų105.143%0.4359%0.593SS.*Hα-helixtrans-64.5-41.2170.500000112.2S120 L121 R127 F128S120-A124 WeakPolarHBondContact O-CB 3.03Å; S120-A124 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 3.38Å; A124-R127 PolarHBondContact O-N 3.23Å; A124-F128 PolarHBondContact O-N 3.04Å; A124-F128 VanDerWaalsContact O-N 3.13Å
125L69.4Low72.2Confident96 Ų96109.9 Ų109.950%0.50361%0.613SS.*Hα-helixtrans-65.7-37175.8-75.6166.6000112.7L121 L122 R127 G129L121-L125 WeakPolarHBondContact O-CB 3.44Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.02Å; L121-L125 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 3.02Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-G129 PolarHBondContact O-N 2.82Å
126L70.6Confident71.8Confident138 Ų138110.1 Ų110.172%0.72362%0.616SS**Hα-helixtrans-70.2-28.4174.7-76.9163.2000112.9L122 S123L122-L126 HydrophobicContact CG-CD1 4.37Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.77Å; S123-L126 PolarHBondContact O-N 2.91Å
127R65.1Low71.1Confident225 Ų225115.1 Ų115.185%0.84963%0.631SS**Hα-helixtrans-79.9-22.5175.4-102.2-177.5176.4-132.30.5114.4S123 A124 L125S123-R127 PolarHBondContact O-N 3.31Å; S123-R127 VanDerWaalsContact O-N 3.09Å; A124-R127 PolarHBondContact O-N 3.23Å; L125-R127 VanDerWaalsContact C-N 3.34Å
128F55.7Low70.3Confident189 Ų189115.2 Ų115.283%0.82963%0.633SS**SBendtrans-11512.4-178.7-80.9-85.5000113.3A124A124-F128 PolarHBondContact O-N 3.04Å; A124-F128 VanDerWaalsContact O-N 3.13Å
129G52.4Low69.5Low43 Ų43115.4 Ų115.444%0.44364%0.637SS.*  trans-71.2146165.500000110.6L125L125-G129 PolarHBondContact O-N 2.82Å
130P53.3Low68.5Low210 Ų210116.4 Ų116.4100%1.36465%0.645SS**  trans-62.90-178.329.9-35.7000113.2

Retrieved 130 of 130 residues in 542.3 ms (Link to these results)