A0A087X2Y1_POEFO Loading...

Transcription factor BTF3

AlphaFold DB , UniProt , Accession A0A087X2Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 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
1M54.9Low70.7Confident223 Ų223131.6 Ų131.6100%1.09968%0.677SS**  0129.50-88.6-176.7-171.900108.5Q3M1-Q3 PolarHBondContact O-N 3.24Å
2N77Confident69.9Low114 Ų114134.1 Ų134.161%0.6168%0.683SS**  trans-88105.6-175.1-144.4-18.8000109.4E4 K5 L6N2-E4 VanDerWaalsContact C-N 3.32Å; N2-E4 PolarHBondContact O-N 2.88Å; N2-K5 PolarHBondContact O-N 3.21Å; N2-L6 PolarHBondContact O-N 2.91Å
3Q78Confident69.1Low164 Ų164130.4 Ų130.477%0.76667%0.671SS**Hα-helixtrans-60.7-36.1-167.9-83178.2-8.500113.4M1 K5 L6 A7M1-Q3 PolarHBondContact O-N 3.24Å; Q3-K5 PolarHBondContact O-N 3.16Å; Q3-L6 WeakPolarHBondContact O-CB 3.27Å; Q3-L6 PolarHBondContact O-N 3.47Å; Q3-A7 PolarHBondContact O-N 2.87Å
4E76.1Confident68.5Low145 Ų145139.1 Ų139.168%0.67869%0.691SS**Hα-helixtrans-66.8-36.2-178.5-64.5-174.1161.700113.4N2 L6 K8N2-E4 VanDerWaalsContact C-N 3.32Å; N2-E4 PolarHBondContact O-N 2.88Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-K8 WeakPolarHBondContact O-CG 3.29Å; E4-K8 PolarHBondContact O-N 2.88Å; E4-K8 VanDerWaalsContact O-N 3.11Å
5K74.8Confident68.4Low149 Ų149138.9 Ų138.965%0.64869%0.691SS**Hα-helixtrans-69.9-34.4175.6-73.5-171.8177.9-178.30111.2N2 Q3 L9N2-K5 PolarHBondContact O-N 3.21Å; Q3-K5 PolarHBondContact O-N 3.16Å; K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 3.41Å; K5-L9 VanDerWaalsContact O-N 3.11Å
6L74.3Confident68.4Low93 Ų93134.1 Ų134.149%0.48769%0.688SS.*Hα-helixtrans-69-42.2177.3-153.275.9000111.4N2 Q3 E4 L9 Q10N2-L6 PolarHBondContact O-N 2.91Å; Q3-L6 WeakPolarHBondContact O-CB 3.27Å; Q3-L6 PolarHBondContact O-N 3.47Å; E4-L6 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-Q10 PolarHBondContact O-N 3.23Å
7A72.8Confident68.6Low56 Ų56128.6 Ų128.646%0.46367%0.673SS.*Hα-helixtrans-63.4-41.7176.200000112.3Q3 L9 Q10 A11Q3-A7 PolarHBondContact O-N 2.87Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 3.41Å; A7-Q10 PolarHBondContact O-N 3.42Å; A7-A11 PolarHBondContact O-N 2.91Å; A7-A11 VanDerWaalsContact O-N 3.11Å
8K71.8Confident68.4Low155 Ų155134.2 Ų134.267%0.67469%0.69SS**Hα-helixtrans-64-37.6174.4-76.2179179.8174.80112.5E4 A11 Q12E4-K8 WeakPolarHBondContact O-CG 3.29Å; E4-K8 PolarHBondContact O-N 2.88Å; E4-K8 VanDerWaalsContact O-N 3.11Å; K8-A11 PolarHBondContact O-N 2.74Å; K8-Q12 PolarHBondContact O-N 3.21Å
9L67.9Low68.6Low118 Ų118131.6 Ų131.662%0.61870%0.7SS**Hα-helixtrans-66.9-39.5174.6-106.698.6000112.5K5 L6 A7 A11 Q12 V13K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 3.41Å; K5-L9 VanDerWaalsContact O-N 3.11Å; L6-L9 PolarHBondContact O-N 3.06Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 3.41Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.01Å; L9-Q12 PolarHBondContact O-N 3.06Å; L9-V13 WeakPolarHBondContact O-CG2 3.45Å
10Q66.3Low68.8Low141 Ų141129 Ų12966%0.65969%0.689SS**Hα-helixtrans-65-34.4177-77.3-174.6-2100112.7L6 A7 Q12 V13L6-Q10 PolarHBondContact O-N 3.23Å; A7-Q10 PolarHBondContact O-N 3.42Å; Q10-Q12 VanDerWaalsContact C-N 3.32Å; Q10-Q12 PolarHBondContact O-N 3.37Å; Q10-V13 WeakPolarHBondContact O-CG2 3.38Å
11A63.7Low69Low90 Ų90127.8 Ų127.874%0.74470%0.697SS**Hα-helixtrans-72.8-22.5176.300000113.7A7 K8 L9A7-A11 PolarHBondContact O-N 2.91Å; A7-A11 VanDerWaalsContact O-N 3.11Å; K8-A11 PolarHBondContact O-N 2.74Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.01Å
12Q61.2Low69.8Low161 Ų161128.5 Ų128.575%0.75269%0.688SS**Hα-helixtrans-89.5-8.4-177.9-163.1173.2-0.500113.3K8 L9 Q10 R14K8-Q12 PolarHBondContact O-N 3.21Å; L9-Q12 PolarHBondContact O-N 3.06Å; Q10-Q12 VanDerWaalsContact C-N 3.32Å; Q10-Q12 PolarHBondContact O-N 3.37Å; Q12-R14 PolarHBondContact O-N 2.73Å; Q12-R14 VanDerWaalsContact O-N 3.16Å
13V59.9Low69.7Low86 Ų86134.6 Ų134.652%0.52170%0.702SS.*SBendtrans-71.1114.4177.2-155.90000107.8L9 Q10 I15L9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q10-V13 WeakPolarHBondContact O-CG2 3.38Å; V13-I15 HydrophobicContact CB-CD1 4.13Å; V13-I15 HydrophobicContact CB-CG1 3.84Å; V13-I15 HydrophobicContact CG1-CD1 4.31Å; V13-I15 HydrophobicContact CG1-CG1 3.78Å; V13-I15 PolarHBondContact O-N 3.46Å
14R61.1Low69.6Low252 Ų252136.1 Ų136.195%0.95171%0.706SS**  trans-66.871.8170.1-75.9-179.5-168.6142.73.6109.8Q12 G16Q12-R14 PolarHBondContact O-N 2.73Å; Q12-R14 VanDerWaalsContact O-N 3.16Å; R14-G16 PolarHBondContact O-N 3.07Å
15I66.1Low69.8Low137 Ų137138 Ų13870%0.70371%0.712SS**  trans-81.5100.5170-52.7173.8000104.4V13 G17V13-I15 HydrophobicContact CB-CD1 4.13Å; V13-I15 HydrophobicContact CB-CG1 3.84Å; V13-I15 HydrophobicContact CG1-CD1 4.31Å; V13-I15 HydrophobicContact CG1-CG1 3.78Å; V13-I15 PolarHBondContact O-N 3.46Å; I15-G17 PolarHBondContact O-N 3.44Å
16G68.5Low70.1Confident62 Ų62139.6 Ų139.664%0.63972%0.719SS**  trans-52.8105.8-175.100000112R14 T20R14-G16 PolarHBondContact O-N 3.07Å; G16-T20 VanDerWaalsContact C-OG1 3.32Å; G16-T20 WeakPolarHBondContact CA-OG1 3.48Å
17G72.9Confident70.3Confident41 Ų41139.3 Ų139.342%0.42372%0.721SS.*  trans-89.2176174.100000113I15 G19 T20I15-G17 PolarHBondContact O-N 3.44Å; G17-G19 PolarHBondContact O-N 3.5Å; G17-T20 PolarHBondContact N-OG1 3.18Å; G17-T20 VanDerWaalsContact N-OG1 3.13Å; G17-T20 WeakPolarHBondContact O-CB 3.38Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 3.09Å
18K64.3Low70.7Confident229 Ų229141.5 Ų141.5100%0.99673%0.729SS**THydrogen-bonded Turntrans-58.9118176.2-169176.1-179.5-178.80109.6
19G71.4Confident71.1Confident84 Ų84141.5 Ų141.587%0.86673%0.731SS**THydrogen-bonded Turntrans93.9-3.9-176.400000115.7G17G17-G19 PolarHBondContact O-N 3.5Å
20T74.2Confident71.5Confident79 Ų79144.8 Ų144.849%0.48574%0.74SS.*SBendtrans-73.8142.9172.661.10000111.3G16 G17 R22G16-T20 VanDerWaalsContact C-OG1 3.32Å; G16-T20 WeakPolarHBondContact CA-OG1 3.48Å; G17-T20 PolarHBondContact N-OG1 3.18Å; G17-T20 VanDerWaalsContact N-OG1 3.13Å; G17-T20 WeakPolarHBondContact O-CB 3.38Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 3.09Å; T20-R22 PolarHBondContact O-N 3.47Å
21A71.3Confident71.7Confident104 Ų104142.3 Ų142.386%0.8674%0.735SS**  trans-61.1109.9-178.400000110.8R23A21-R23 PolarHBondContact O-N 3.17Å
22R72.1Confident72.1Confident238 Ų238142 Ų14290%0.89873%0.732SS**PPolyproline II helixtrans-66.4126.4175.3-132.4178.3-173.2-154.41.3108.6T20 K24T20-R22 PolarHBondContact O-N 3.47Å; R22-K24 PolarHBondContact O-N 3.43Å
23R75.4Confident72.6Confident242 Ų242139.8 Ų139.891%0.91373%0.73SS**PPolyproline II helixtrans-58.1117.8171.7-167.8-176.9-140.5-175.16.1107.9A21 K25A21-R23 PolarHBondContact O-N 3.17Å; R23-K25 PolarHBondContact O-N 3.28Å
24K76.1Confident73.1Confident196 Ų196138 Ų13885%0.85272%0.723SS**PPolyproline II helixtrans-58.7124.3174.3-75-164.4176.6-175.60108.5R22 K26R22-K24 PolarHBondContact O-N 3.43Å; K24-K26 PolarHBondContact O-N 3.01Å
25K79.7Confident74.1Confident184 Ų184129.7 Ų129.780%0.870%0.698SS**  trans-63.6107.3171.2-178.3-177.8-179.7-178.40107.1R23 V27R23-K25 PolarHBondContact O-N 3.28Å; K25-V27 HydrophobicContact CD-CG2 3.99Å; K25-V27 HydrophobicContact CG-CG2 3.96Å; K25-V27 PolarHBondContact O-N 3.46Å; K25-V27 VanDerWaalsContact O-N 3.09Å
26K81.6Confident75.1Confident183 Ų183127.3 Ų127.380%0.79669%0.687SS**  trans-73.698.7168-173.1-179.2-177.1-178.80107K24 V28K24-K26 PolarHBondContact O-N 3.01Å; K26-V28 HydrophobicContact CD-CG2 4.05Å; K26-V28 HydrophobicContact CG-CG2 3.98Å; K26-V28 PolarHBondContact O-N 3.4Å
27V79.1Confident76.1Confident88 Ų88132.5 Ų132.553%0.53369%0.692SS.*  trans-78.4105.9168.2-174.50000106.2K25 H29K25-V27 HydrophobicContact CD-CG2 3.99Å; K25-V27 HydrophobicContact CG-CG2 3.96Å; K25-V27 PolarHBondContact O-N 3.46Å; K25-V27 VanDerWaalsContact O-N 3.09Å; V27-H29 VanDerWaalsContact CG1-CE1 3.5Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.23Å; V27-H29 PolarHBondContact O-N 3.1Å
28V79.3Confident76.9Confident102 Ų102137.3 Ų137.362%0.61870%0.701SS**  trans-83.8113.6173.8-178.30000107K26 K30K26-V28 HydrophobicContact CD-CG2 4.05Å; K26-V28 HydrophobicContact CG-CG2 3.98Å; K26-V28 PolarHBondContact O-N 3.4Å; V28-K30 PolarHBondContact O-N 2.76Å
29H80.2Confident78.1Confident155 Ų155130.5 Ų130.572%0.71868%0.675SS**  trans-79.9114.7167.5-65.3-24.5000108.1V27 T31V27-H29 VanDerWaalsContact CG1-CE1 3.5Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.23Å; V27-H29 PolarHBondContact O-N 3.1Å; H29-T31 PolarHBondContact O-N 3.07Å
30K76.4Confident79Confident187 Ų187128.4 Ų128.481%0.81364%0.643SS**  trans-66.4120168.7-89-176.8170.9-174.90107.8V28V28-K30 PolarHBondContact O-N 2.76Å
31T71Confident79.9Confident89 Ų89126.2 Ų126.255%0.54664%0.636SS.*  trans-89.7116.3171.943.30000108.8H29 T33 A34H29-T31 PolarHBondContact O-N 3.07Å; T31-T33 PolarHBondContact O-N 2.65Å; T31-T33 VanDerWaalsContact O-N 3.16Å; T31-A34 PolarHBondContact O-N 3.22Å
32A71.7Confident80.8Confident84 Ų84124.6 Ų124.669%0.69462%0.618SS**Hα-helixtrans-60-25.6-178.400000113.5A34 D35 D36A32-A34 PolarHBondContact O-N 3.14Å; A32-D35 PolarHBondContact O-N 3.3Å; A32-D36 PolarHBondContact O-N 3.5Å
33T71.6Confident81.7Confident114 Ų114114.4 Ų114.470%0.69958%0.582SS**Hα-helixtrans-67.6-31.6-178.1460000114.3T31T31-T33 PolarHBondContact O-N 2.65Å; T31-T33 VanDerWaalsContact O-N 3.16Å
34A71.9Confident82.4Confident47 Ų47110.4 Ų110.439%0.38857%0.571SS.*Hα-helixtrans-74-33.1178.400000112.1T31 A32 K38T31-A34 PolarHBondContact O-N 3.22Å; A32-A34 PolarHBondContact O-N 3.14Å; A34-K38 PolarHBondContact O-N 3.36Å
35D82.4Confident83.1Confident79 Ų79109.9 Ų109.942%0.42257%0.569SS.*Hα-helixtrans-74.5-36.7-179.7-71-23.8000111.2A32 K37 K38 L39A32-D35 PolarHBondContact O-N 3.3Å; D35-K37 PolarHBondContact O-N 3.02Å; D35-K38 WeakPolarHBondContact O-CB 3.33Å; D35-K38 PolarHBondContact O-N 3.42Å; D35-K38 VanDerWaalsContact O-N 3.16Å; D35-L39 PolarHBondContact O-N 2.81Å
36D86.1Confident83.6Confident87 Ų87105.8 Ų105.847%0.46556%0.555SS.*Hα-helixtrans-60.8-43175.6-175.255.6000112.4A32 K38 L39 Q40A32-D36 PolarHBondContact O-N 3.5Å; D36-K38 VanDerWaalsContact C-N 3.27Å; D36-K38 PolarHBondContact O-N 2.88Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 3.25Å; D36-L39 VanDerWaalsContact O-N 3.17Å; D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.4Å
37K89Confident84Confident171 Ų17199.8 Ų99.874%0.74354%0.54SS*.Hα-helixtrans-62.2-35.7176.8-170.4172.5-177.2176.50112.5D35 G41D35-K37 PolarHBondContact O-N 3.02Å; K37-G41 PolarHBondContact O-N 2.98Å; K37-G41 VanDerWaalsContact O-N 3.09Å
38K90.6Very high84.7Confident142 Ų14296.3 Ų96.362%0.61752%0.518SS*.Hα-helixtrans-70.3-42.7175.4-69.8175.2-176.7171.60111.1A34 D35 D36 G41 S42A34-K38 PolarHBondContact O-N 3.36Å; D35-K38 WeakPolarHBondContact O-CB 3.33Å; D35-K38 PolarHBondContact O-N 3.42Å; D35-K38 VanDerWaalsContact O-N 3.16Å; D36-K38 VanDerWaalsContact C-N 3.27Å; D36-K38 PolarHBondContact O-N 2.88Å; K38-G41 WeakPolarHBondContact O-CA 3.5Å; K38-G41 PolarHBondContact O-N 3.37Å; K38-G41 VanDerWaalsContact O-N 3.15Å; K38-S42 PolarHBondContact O-N 2.87Å; K38-S42 PolarHBondContact O-OG 3.4Å
39L89.9Confident85.3Confident86 Ų8697 Ų9745%0.4552%0.519SS..Hα-helixtrans-60.2-47.6176.7-173.9121.2000111.1D35 D36 G41 S42 L43D35-L39 PolarHBondContact O-N 2.81Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 3.25Å; D36-L39 VanDerWaalsContact O-N 3.17Å; L39-G41 VanDerWaalsContact C-N 3.27Å; L39-G41 PolarHBondContact O-N 3.11Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-S42 VanDerWaalsContact O-N 3.12Å; L39-L43 HydrophobicContact CD2-CD1 3.66Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.47Å
40Q89.9Confident85.9Confident39 Ų3993.9 Ų93.918%0.18251%0.507CS..Hα-helixtrans-59.2-38.1173.6-68.4-63.2-32.600112.2D36 K44 Q75D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.4Å; Q40-K44 WeakPolarHBondContact O-CG 3.33Å; Q40-K44 PolarHBondContact O-N 3.04Å; Q40-Q75 VanDerWaalsContact OE1-NE2 3.14Å
41G91.8Very high86.7Confident34 Ų3488.1 Ų88.135%0.35149%0.485SS..Hα-helixtrans-63.1-41.9173.900000113.2K37 K38 L39 K45K37-G41 PolarHBondContact O-N 2.98Å; K37-G41 VanDerWaalsContact O-N 3.09Å; K38-G41 WeakPolarHBondContact O-CA 3.5Å; K38-G41 PolarHBondContact O-N 3.37Å; K38-G41 VanDerWaalsContact O-N 3.15Å; L39-G41 VanDerWaalsContact C-N 3.27Å; L39-G41 PolarHBondContact O-N 3.11Å; G41-K45 WeakPolarHBondContact O-CG 3.49Å; G41-K45 PolarHBondContact O-N 3.44Å
42S91Very high87.8Confident69 Ų6988 Ų8848%0.48349%0.493SS..Hα-helixtrans-67.9-43176.2-63.90000112.2K38 L39 K44 K45 L46K38-S42 PolarHBondContact O-N 2.87Å; K38-S42 PolarHBondContact O-OG 3.4Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-S42 VanDerWaalsContact O-N 3.12Å; S42-K44 PolarHBondContact O-N 2.82Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.14Å; S42-L46 PolarHBondContact O-N 3.28Å
43L90.9Very high88.8Confident25 Ų2587.6 Ų87.613%0.13150%0.497CS..Hα-helixtrans-60-44.8177.2-77176.5000111.6L39 K45 L46 V48 A84L39-L43 HydrophobicContact CD2-CD1 3.66Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.47Å; L43-K45 PolarHBondContact O-N 3.21Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-V48 HydrophobicContact CB-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 4.39Å; L43-V48 WeakPolarHBondContact O-CG2 3.2Å; L43-A84 HydrophobicContact CD1-CB 4.09Å; L43-A84 HydrophobicContact CD2-CB 3.68Å
44K90.1Very high89.9Confident158 Ų15884.7 Ų84.769%0.68748%0.476SS*.Hα-helixtrans-58.4-32.9174.9-76.8-180179.8-172.10113.8Q40 S42 L46 A47Q40-K44 WeakPolarHBondContact O-CG 3.33Å; Q40-K44 PolarHBondContact O-N 3.04Å; S42-K44 PolarHBondContact O-N 2.82Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.42Å; K44-A47 PolarHBondContact O-N 3.16Å; K44-A47 VanDerWaalsContact O-N 3.1Å
45K90.9Very high91Very high185 Ų18589.4 Ų89.480%0.80449%0.49SS*.Hα-helixtrans-67.7-26.8176.6-68.2174.9-178.9-178.40112.7G41 S42 L43 A47G41-K45 WeakPolarHBondContact O-CG 3.49Å; G41-K45 PolarHBondContact O-N 3.44Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 3.21Å; K45-A47 PolarHBondContact O-N 2.73Å
46L89.4Confident91.5Very high97 Ų9789.3 Ų89.351%0.50849%0.487SS..THydrogen-bonded Turntrans-83.18.6174-63.2172.2000112.6S42 L43 K44 V48S42-L46 PolarHBondContact O-N 3.28Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.48Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.42Å; L46-V48 HydrophobicContact CB-CG1 4.2Å; L46-V48 PolarHBondContact O-N 3.01Å
47A90.7Very high91.9Very high58 Ų5886.6 Ų86.648%0.47947%0.474SS..THydrogen-bonded Turntrans53.536.3-179.200000113.3K44 K45K44-A47 PolarHBondContact O-N 3.16Å; K44-A47 VanDerWaalsContact O-N 3.1Å; K45-A47 PolarHBondContact O-N 2.73Å
48V93.2Very high92.1Very high14 Ų1479.9 Ų79.99%0.08545%0.446CS..  trans-75132.1173.9-59.50000110.5L43 L46 Q75L43-V48 HydrophobicContact CB-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 4.39Å; L43-V48 WeakPolarHBondContact O-CG2 3.2Å; L46-V48 HydrophobicContact CB-CG1 4.2Å; L46-V48 PolarHBondContact O-N 3.01Å; V48-Q75 HydrophobicContact CB-CB 4.14Å; V48-Q75 HydrophobicContact CG2-CB 4Å
49N92.6Very high92.3Very high117 Ų11776.8 Ų76.863%0.62644%0.435SS*.EExtended strand (participates in β ladder)trans-107.9146179.3-67.2-45.4000110.1Q75 A76N49-Q75 CarbonylContact O-C 3.6Å; N49-Q75 WeakPolarHBondContact O-CA 3.48Å; N49-A76 PolarHBondContact N-O 3.47Å; N49-A76 PolarHBondContact O-N 3.42Å
50N92.7Very high92.3Very high90 Ų9076.1 Ų76.148%0.48143%0.431SS..EExtended strand (participates in β ladder)trans-76.1127.4178.8-163.287.5000110.4K73 Q75N50-K73 WeakPolarHBondContact OD1-CE 3.43Å; N50-Q75 HydrophobicContact CB-CG 4.47Å
51I92.8Very high92.3Very high65 Ų6579.1 Ų79.133%0.33344%0.441SS..EExtended strand (participates in β ladder)trans-96.1124.2172.1-57.4166.8000107.6I54 V74 A76I51-I54 HydrophobicContact CB-CG1 4.37Å; I51-I54 HydrophobicContact CG2-CD1 3.78Å; I51-I54 HydrophobicContact CG2-CG1 3.97Å; I51-V74 HydrophobicContact CD1-CG1 4.43Å; I51-V74 PolarHBondContact N-O 3.37Å; I51-A76 HydrophobicContact CD1-CB 3.52Å; I51-A76 HydrophobicContact CG1-CB 4.36Å
52A93.6Very high92.1Very high87 Ų8785.1 Ų85.172%0.71947%0.465SS*.PPolyproline II helixtrans-92.5156.1177.800000110.9
53G93.4Very high91.9Very high75 Ų7586 Ų8677%0.77346%0.464SS*.  trans76.620.5174.400000115E55G53-E55 PolarHBondContact O-N 3.15Å
54I95.2Very high91.6Very high53 Ų5385.4 Ų85.427%0.27246%0.463SS..  trans-76.3117.3171.6-58.5-57.8000109I51 E56 V57 P72 V74I51-I54 HydrophobicContact CB-CG1 4.37Å; I51-I54 HydrophobicContact CG2-CD1 3.78Å; I51-I54 HydrophobicContact CG2-CG1 3.97Å; I54-E56 WeakPolarHBondContact CG2-O 3.49Å; I54-V57 HydrophobicContact CG2-CG2 3.83Å; I54-P72 HydrophobicContact CG2-CG 4.04Å; I54-V74 HydrophobicContact CB-CG2 4.17Å; I54-V74 HydrophobicContact CG1-CB 4.15Å; I54-V74 HydrophobicContact CG1-CG2 4.04Å; I54-V74 HydrophobicContact CG2-CG2 3.96Å
55E93.9Very high91.6Very high147 Ų14778.8 Ų78.869%0.68744%0.436SS*.  trans-80.5-43.6178.2-65.5-177.5175.900111.2G53 N71G53-E55 PolarHBondContact O-N 3.15Å; E55-N71 VanDerWaalsContact O-CA 3.25Å; E55-N71 WeakPolarHBondContact O-CA 3.19Å; E55-N71 PolarHBondContact O-N 3.01Å; E55-N71 PolarHBondContact O-ND2 2.84Å
56E93Very high91.7Very high77 Ų7770 Ų7036%0.3640%0.398SS..EExtended strand (participates in β ladder)trans-151.7155.4-178.653.3177-147.500112.3I54 N58 H68 F69 Q104I54-E56 WeakPolarHBondContact CG2-O 3.49Å; E56-N58 PolarHBondContact OE1-ND2 2.87Å; E56-H68 IonicContact OE2-CE1 2.87Å; E56-F69 VanDerWaalsContact CA-O 3.24Å; E56-F69 WeakPolarHBondContact CA-O 3.39Å; E56-Q104 PolarHBondContact OE1-NE2 3.49Å
57V94.6Very high92Very high30 Ų3066.7 Ų66.718%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-131.1128.9167177.90000108.8I54 F69 P72 V74 I85I54-V57 HydrophobicContact CG2-CG2 3.83Å; V57-F69 HydrophobicContact CB-CB 4.27Å; V57-F69 HydrophobicContact CB-CD2 4.43Å; V57-F69 PolarHBondContact N-O 3.16Å; V57-F69 PolarHBondContact O-N 3.37Å; V57-P72 HydrophobicContact CB-CG 4.15Å; V57-P72 HydrophobicContact CG2-CG 3.65Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; V57-I85 HydrophobicContact CG1-CD1 3.72Å; V57-I85 HydrophobicContact CG1-CG1 4.47Å
58N94.1Very high92.2Very high29 Ų2964.4 Ų64.416%0.15536%0.36CS..EExtended strand (participates in β ladder)trans-115.3122179.5-65.3-46.7000109.6E56 V66 H68 I101 Q104E56-N58 PolarHBondContact OE1-ND2 2.87Å; N58-V66 HydrophobicContact CB-CG1 3.94Å; N58-H68 PolarHBondContact OD1-ND1 3.37Å; N58-I101 HydrophobicContact CB-CD1 4.17Å; N58-Q104 PolarHBondContact ND2-OE1 3.29Å
59M93.8Very high92.4Very high77 Ų7764.7 Ų64.738%0.37936%0.36SS..EExtended strand (participates in β ladder)trans-103.7103.3168.5-54.4-176.9179.400108.5V66 I67 F69 I85M59-V66 WeakPolarHBondContact O-CA 3.25Å; M59-I67 HydrophobicContact CB-CB 4.04Å; M59-I67 HydrophobicContact CB-CD1 4.29Å; M59-I67 HydrophobicContact CB-CG1 4.29Å; M59-I67 PolarHBondContact N-O 2.9Å; M59-I67 PolarHBondContact O-N 2.88Å; M59-I67 HydrophobicContact SD-CD1 4.11Å; M59-F69 HydrophobicContact CE-CE2 3.95Å; M59-F69 HydrophobicContact CE-CZ 4.48Å; M59-F69 HydrophobicContact CG-CE2 4.49Å; M59-F69 HydrophobicContact SD-CE2 4.22Å; M59-I85 HydrophobicContact CE-CD1 3.42Å; M59-I85 VanDerWaalsContact CE-CD1 3.42Å
60I91.4Very high92.5Very high72 Ų7264 Ų6437%0.36936%0.356SS..EExtended strand (participates in β ladder)trans-80.1124.9178.6-60.5147.7000108.5V66 L105I60-V66 HydrophobicContact CG1-CG2 4.31Å; I60-L105 HydrophobicContact CD1-CD2 3.5Å; I60-L105 VanDerWaalsContact CD1-CD2 3.5Å; I60-L105 HydrophobicContact CG1-CD2 4.11Å; I60-L105 HydrophobicContact CG2-CD2 4.29Å
61R90Very high92.6Very high103 Ų10365 Ų6539%0.38936%0.362SS..  trans-98.6164.2174-63.1-175.2-171.4156.6-2.7110.4D63 T65 I67R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CB-OD1 3.46Å; R61-T65 PolarHBondContact N-O 2.88Å; R61-I67 VanDerWaalsContact CZ-CG1 3.5Å
62D87.1Confident92.8Very high160 Ų16062.3 Ų62.386%0.85635%0.349SS*.THydrogen-bonded Turntrans-73.9-22177.256.2-20.6000113.4G64D62-G64 PolarHBondContact O-N 2.84Å
63D85.9Confident92.8Very high88 Ų8863.4 Ų63.447%0.47134%0.337SS..THydrogen-bonded Turntrans-73.3-1.9176.764.95000114.6R61 T65R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CB-OD1 3.46Å; D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 VanDerWaalsContact CG-OG1 3.23Å; D63-T65 WeakPolarHBondContact OD1-CA 3.3Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 2.95Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 2.78Å; D63-T65 PolarHBondContact OD2-OG1 2.84Å; D63-T65 VanDerWaalsContact OD2-OG1 3.14Å
64G84.8Confident92.9Very high11 Ų1160.1 Ų60.111%0.11330%0.302CS..SBendtrans838.4-176.300000114.1D62 L94D62-G64 PolarHBondContact O-N 2.84Å; G64-L94 WeakPolarHBondContact O-CB 3.3Å; G64-L94 PolarHBondContact O-N 2.9Å
65T90.8Very high92.9Very high19 Ų1958.5 Ų58.512%0.11729%0.293CS..EExtended strand (participates in β ladder)trans-98.7156.4171.973.10000111.2R61 D63 T91 K92R61-T65 PolarHBondContact N-O 2.88Å; D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 VanDerWaalsContact CG-OG1 3.23Å; D63-T65 WeakPolarHBondContact OD1-CA 3.3Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 2.95Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 2.78Å; D63-T65 PolarHBondContact OD2-OG1 2.84Å; D63-T65 VanDerWaalsContact OD2-OG1 3.14Å; T65-T91 HydrophobicContact CG2-CG2 4.42Å; T65-K92 WeakPolarHBondContact CA-O 3.21Å
66V93.1Very high92.9Very high0 Ų051.7 Ų51.70%026%0.262CS..EExtended strand (participates in β ladder)trans-124.2128175.5-178.20000108.8N58 M59 I60 H68 T91 K92 L94 M97N58-V66 HydrophobicContact CB-CG1 3.94Å; M59-V66 WeakPolarHBondContact O-CA 3.25Å; I60-V66 HydrophobicContact CG1-CG2 4.31Å; V66-H68 PolarHBondContact O-N 2.82Å; V66-T91 WeakPolarHBondContact O-CA 3.44Å; V66-K92 PolarHBondContact N-O 2.89Å; V66-K92 PolarHBondContact O-N 3.42Å; V66-L94 HydrophobicContact CG2-CB 4.3Å; V66-L94 HydrophobicContact CG2-CD1 3.58Å; V66-M97 HydrophobicContact CB-SD 4.5Å; V66-M97 HydrophobicContact CG1-SD 4.31Å
67I95.3Very high93Very high28 Ų2848.1 Ų48.114%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-82.3106.8163.4-41.1175.7000107.2M59 R61 F69 A89 E90M59-I67 HydrophobicContact CB-CB 4.04Å; M59-I67 HydrophobicContact CB-CD1 4.29Å; M59-I67 HydrophobicContact CB-CG1 4.29Å; M59-I67 PolarHBondContact N-O 2.9Å; M59-I67 PolarHBondContact O-N 2.88Å; M59-I67 HydrophobicContact SD-CD1 4.11Å; R61-I67 VanDerWaalsContact CZ-CG1 3.5Å; I67-F69 HydrophobicContact CB-CE2 4.31Å; I67-F69 HydrophobicContact CG2-CD2 4.31Å; I67-F69 HydrophobicContact CG2-CE2 3.58Å; I67-F69 HydrophobicContact CG2-CZ 4Å; I67-A89 HydrophobicContact CG2-CB 3.87Å; I67-E90 CarbonylContact C-O 3.57Å
68H95.1Very high92.7Very high11 Ų1153.1 Ų53.15%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-97.6133.9179.3177.571.8000110.6E56 N58 V66 E90 K92 M97E56-H68 IonicContact OE2-CE1 2.87Å; N58-H68 PolarHBondContact OD1-ND1 3.37Å; V66-H68 PolarHBondContact O-N 2.82Å; H68-E90 PolarHBondContact N-O 3.4Å; H68-E90 PolarHBondContact O-N 2.62Å; H68-K92 HydrophobicContact CB-CD 4.34Å; H68-M97 HydrophobicContact CB-SD 4.27Å
69F96.9Very high92.5Very high20 Ų2057.1 Ų57.19%0.08830%0.301CS..EExtended strand (participates in β ladder)trans-119.2122.1170.5-65.1-97.5000108.9E56 V57 M59 I67 P72 I85 H88 A89E56-F69 VanDerWaalsContact CA-O 3.24Å; E56-F69 WeakPolarHBondContact CA-O 3.39Å; V57-F69 HydrophobicContact CB-CB 4.27Å; V57-F69 HydrophobicContact CB-CD2 4.43Å; V57-F69 PolarHBondContact N-O 3.16Å; V57-F69 PolarHBondContact O-N 3.37Å; M59-F69 HydrophobicContact CE-CE2 3.95Å; M59-F69 HydrophobicContact CE-CZ 4.48Å; M59-F69 HydrophobicContact CG-CE2 4.49Å; M59-F69 HydrophobicContact SD-CE2 4.22Å; I67-F69 HydrophobicContact CB-CE2 4.31Å; I67-F69 HydrophobicContact CG2-CD2 4.31Å; I67-F69 HydrophobicContact CG2-CE2 3.58Å; I67-F69 HydrophobicContact CG2-CZ 4Å; F69-P72 HydrophobicContact CB-CB 3.93Å; F69-P72 HydrophobicContact CB-CG 3.84Å; F69-I85 HydrophobicContact CD1-CG2 4.02Å; F69-I85 HydrophobicContact CD2-CG2 4.31Å; F69-I85 HydrophobicContact CE1-CG2 4.16Å; F69-I85 HydrophobicContact CE2-CG2 4.47Å; F69-I85 HydrophobicContact CG-CG2 4.09Å; F69-I85 HydrophobicContact CZ-CG2 4.39Å; F69-H88 VanDerWaalsContact CD1-O 3.29Å; F69-H88 WeakPolarHBondContact CD1-O 3.29Å; F69-A89 HydrophobicContact CD1-CB 4.11Å; F69-A89 HydrophobicContact CE1-CB 3.47Å; F69-A89 VanDerWaalsContact CE1-CB 3.47Å; F69-A89 HydrophobicContact CE2-CB 4.33Å; F69-A89 HydrophobicContact CZ-CB 3.59Å
70N95.4Very high92.3Very high102 Ų10255.8 Ų55.855%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-94.8129.3173.8-168.95.5000110.4P72N70-P72 VanDerWaalsContact C-CD 3.47Å
71N95.1Very high92.3Very high111 Ų11158.8 Ų58.859%0.59432%0.319SS*.SBendtrans40.754-174.9-58.1119.5000114.5E55E55-N71 VanDerWaalsContact O-CA 3.25Å; E55-N71 WeakPolarHBondContact O-CA 3.19Å; E55-N71 PolarHBondContact O-N 3.01Å; E55-N71 PolarHBondContact O-ND2 2.84Å
72P96.4Very high92.4Very high9 Ų956.3 Ų56.36%0.05832%0.315CS..  trans-73.3155.7-177.929.9-33.2000112.6I54 V57 F69 N70 V74 I85I54-P72 HydrophobicContact CG2-CG 4.04Å; V57-P72 HydrophobicContact CB-CG 4.15Å; V57-P72 HydrophobicContact CG2-CG 3.65Å; F69-P72 HydrophobicContact CB-CB 3.93Å; F69-P72 HydrophobicContact CB-CG 3.84Å; N70-P72 VanDerWaalsContact C-CD 3.47Å; P72-V74 HydrophobicContact CB-CG2 4.32Å; P72-V74 HydrophobicContact CG-CG2 4.02Å; P72-V74 PolarHBondContact O-N 3.04Å; P72-I85 HydrophobicContact CB-CG2 3.94Å; P72-I85 HydrophobicContact CG-CG2 4.45Å
73K94.6Very high92.8Very high109 Ų10954.6 Ų54.647%0.47430%0.301SS..EExtended strand (participates in β ladder)trans-83.7113.9164.5-177.2-178.8-177.2-1790109N50 T86N50-K73 WeakPolarHBondContact OD1-CE 3.43Å; K73-T86 PolarHBondContact N-O 2.87Å; K73-T86 PolarHBondContact O-N 2.77Å; K73-T86 PolarHBondContact O-OG1 2.87Å
74V95.4Very high93.1Very high7 Ų751.2 Ų51.24%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-109130.5-179.2-175.90000110.4I51 I54 V57 P72 I85I51-V74 HydrophobicContact CD1-CG1 4.43Å; I51-V74 PolarHBondContact N-O 3.37Å; I54-V74 HydrophobicContact CB-CG2 4.17Å; I54-V74 HydrophobicContact CG1-CB 4.15Å; I54-V74 HydrophobicContact CG1-CG2 4.04Å; I54-V74 HydrophobicContact CG2-CG2 3.96Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; P72-V74 HydrophobicContact CB-CG2 4.32Å; P72-V74 HydrophobicContact CG-CG2 4.02Å; P72-V74 PolarHBondContact O-N 3.04Å; V74-I85 HydrophobicContact CG1-CG1 4.35Å; V74-I85 HydrophobicContact CG2-CG1 4.24Å
75Q94.3Very high93.6Very high18 Ų1852.9 Ų52.98%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-116.1134.6167.1-60.2174.2-16.800108Q40 V48 N49 N50 F83 A84Q40-Q75 VanDerWaalsContact OE1-NE2 3.14Å; V48-Q75 HydrophobicContact CB-CB 4.14Å; V48-Q75 HydrophobicContact CG2-CB 4Å; N49-Q75 CarbonylContact O-C 3.6Å; N49-Q75 WeakPolarHBondContact O-CA 3.48Å; N50-Q75 HydrophobicContact CB-CG 4.47Å; Q75-F83 CarbonylContact O-C 3.59Å; Q75-A84 HydrophobicContact CB-CB 4.3Å; Q75-A84 PolarHBondContact N-O 3.42Å; Q75-A84 PolarHBondContact O-N 2.89Å
76A94.8Very high93.7Very high5 Ų554.5 Ų54.54%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-141.1148.3-179.800000111.7N49 I51 T82 F83N49-A76 PolarHBondContact N-O 3.47Å; N49-A76 PolarHBondContact O-N 3.42Å; I51-A76 HydrophobicContact CD1-CB 3.52Å; I51-A76 HydrophobicContact CG1-CB 4.36Å; A76-T82 CarbonylContact C-O 3.57Å; A76-T82 VanDerWaalsContact CA-O 3.3Å; A76-T82 WeakPolarHBondContact CA-O 3.47Å; A76-F83 HydrophobicContact CB-CD1 3.39Å; A76-F83 HydrophobicContact CB-CE1 3.6Å; A76-F83 HydrophobicContact CB-CG 4.2Å
77S94Very high93.7Very high2 Ų256.9 Ų56.91%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-116.7105.7165.7179.50000107.4S79 A80 N81 T82S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.01Å; S77-S79 PolarHBondContact OG-OG 3.21Å; S77-S79 VanDerWaalsContact OG-OG 3.11Å; S77-A80 CarbonylContact O-C 3.44Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 PolarHBondContact OG-N 2.74Å; S77-N81 PolarHBondContact O-N 3.11Å; S77-T82 PolarHBondContact N-O 3.27Å; S77-T82 PolarHBondContact O-N 3.46Å; S77-T82 VanDerWaalsContact O-N 3.12Å
78L88.4Confident93.6Very high134 Ų13462 Ų6270%0.70235%0.349SS*.THydrogen-bonded Turntrans-63.3-35.9177.2-110.969.7000111.3A80 N81L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.12Å; L78-N81 PolarHBondContact O-N 3Å; L78-N81 PolarHBondContact O-OD1 2.93Å
79S90.1Very high93.6Very high114 Ų11463.9 Ų63.980%0.79737%0.366SS*.THydrogen-bonded Turntrans-66.1-29.617852.20000113.1S77S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.01Å; S77-S79 PolarHBondContact OG-OG 3.21Å; S77-S79 VanDerWaalsContact OG-OG 3.11Å
80A89.7Confident93.5Very high49 Ų4966.4 Ų66.441%0.40538%0.378SS..THydrogen-bonded Turntrans-104.95.9-179.400000113.1S77 L78 T82S77-A80 CarbonylContact O-C 3.44Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 PolarHBondContact OG-N 2.74Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.12Å; A80-T82 PolarHBondContact O-N 3.27Å; A80-T82 PolarHBondContact O-OG1 3.14Å
81N91.3Very high93.5Very high135 Ų13565.8 Ų65.872%0.72238%0.378SS*.THydrogen-bonded Turntrans44.536.7-173.4-65.9-33.2000113.3S77 L78S77-N81 PolarHBondContact O-N 3.11Å; L78-N81 PolarHBondContact O-N 3Å; L78-N81 PolarHBondContact O-OD1 2.93Å
82T92Very high93.4Very high50 Ų5063.2 Ų63.231%0.30736%0.362SS..EExtended strand (participates in β ladder)trans-114125.1-174.1-62.50000109.7A76 S77 A80A76-T82 CarbonylContact C-O 3.57Å; A76-T82 VanDerWaalsContact CA-O 3.3Å; A76-T82 WeakPolarHBondContact CA-O 3.47Å; S77-T82 PolarHBondContact N-O 3.27Å; S77-T82 PolarHBondContact O-N 3.46Å; S77-T82 VanDerWaalsContact O-N 3.12Å; A80-T82 PolarHBondContact O-N 3.27Å; A80-T82 PolarHBondContact O-OG1 3.14Å
83F94.5Very high93.2Very high124 Ų12466.8 Ų66.854%0.54438%0.377SS..EExtended strand (participates in β ladder)trans-117.9128.5177.6-61.2-95.5000109.5Q75 A76Q75-F83 CarbonylContact O-C 3.59Å; A76-F83 HydrophobicContact CB-CD1 3.39Å; A76-F83 HydrophobicContact CB-CE1 3.6Å; A76-F83 HydrophobicContact CB-CG 4.2Å
84A94.1Very high92.8Very high17 Ų1762 Ų6214%0.1436%0.357CS..EExtended strand (participates in β ladder)trans-113.1111.9172.700000108.4L43 Q75L43-A84 HydrophobicContact CD1-CB 4.09Å; L43-A84 HydrophobicContact CD2-CB 3.68Å; Q75-A84 HydrophobicContact CB-CB 4.3Å; Q75-A84 PolarHBondContact N-O 3.42Å; Q75-A84 PolarHBondContact O-N 2.89Å
85I94.9Very high92.4Very high47 Ų4764.7 Ų64.724%0.24137%0.373CS..EExtended strand (participates in β ladder)trans-107.5126.3-177.2-62149.4000107.6V57 M59 F69 P72 V74V57-I85 HydrophobicContact CG1-CD1 3.72Å; V57-I85 HydrophobicContact CG1-CG1 4.47Å; M59-I85 HydrophobicContact CE-CD1 3.42Å; M59-I85 VanDerWaalsContact CE-CD1 3.42Å; F69-I85 HydrophobicContact CD1-CG2 4.02Å; F69-I85 HydrophobicContact CD2-CG2 4.31Å; F69-I85 HydrophobicContact CE1-CG2 4.16Å; F69-I85 HydrophobicContact CE2-CG2 4.47Å; F69-I85 HydrophobicContact CG-CG2 4.09Å; F69-I85 HydrophobicContact CZ-CG2 4.39Å; P72-I85 HydrophobicContact CB-CG2 3.94Å; P72-I85 HydrophobicContact CG-CG2 4.45Å; V74-I85 HydrophobicContact CG1-CG1 4.35Å; V74-I85 HydrophobicContact CG2-CG1 4.24Å
86T92.4Very high92.1Very high52 Ų5270.1 Ų70.132%0.31940%0.399SS..EExtended strand (participates in β ladder)trans-126.8121.6178.840.20000109.4K73K73-T86 PolarHBondContact N-O 2.87Å; K73-T86 PolarHBondContact O-N 2.77Å; K73-T86 PolarHBondContact O-OG1 2.87Å
87G92.8Very high91.7Very high51 Ų5171.5 Ų71.553%0.52641%0.405SS..SBendtrans170.3177.9-176.800000111.4
88H94.3Very high91.3Very high135 Ų13574.8 Ų74.863%0.62542%0.422SS*.  trans-72130.2171.2-175.8-100.4000109.6F69 E90F69-H88 VanDerWaalsContact CD1-O 3.29Å; F69-H88 WeakPolarHBondContact CD1-O 3.29Å; H88-E90 VanDerWaalsContact CE1-CG 3.44Å; H88-E90 WeakPolarHBondContact CE1-CG 3.43Å; H88-E90 IonicContact CE1-OE1 3.52Å; H88-E90 IonicContact ND1-OE1 3.42Å; H88-E90 PolarHBondContact ND1-OE1 3.1Å
89A95.4Very high91.2Very high50 Ų5073.4 Ų73.441%0.41342%0.421SS..EExtended strand (participates in β ladder)trans-106.4126.1179.500000109.5I67 F69I67-A89 HydrophobicContact CG2-CB 3.87Å; F69-A89 HydrophobicContact CD1-CB 4.11Å; F69-A89 HydrophobicContact CE1-CB 3.47Å; F69-A89 VanDerWaalsContact CE1-CB 3.47Å; F69-A89 HydrophobicContact CE2-CB 4.33Å; F69-A89 HydrophobicContact CZ-CB 3.59Å
90E94.6Very high91Very high74 Ų7470.2 Ų70.235%0.34641%0.406SS..EExtended strand (participates in β ladder)trans-113130.3173.3-69.2173.9-171.300108.7I67 H68 H88 K92I67-E90 CarbonylContact C-O 3.57Å; H68-E90 PolarHBondContact N-O 3.4Å; H68-E90 PolarHBondContact O-N 2.62Å; H88-E90 VanDerWaalsContact CE1-CG 3.44Å; H88-E90 WeakPolarHBondContact CE1-CG 3.43Å; H88-E90 IonicContact CE1-OE1 3.52Å; H88-E90 IonicContact ND1-OE1 3.42Å; H88-E90 PolarHBondContact ND1-OE1 3.1Å; E90-K92 HydrophobicContact CB-CG 4.48Å; E90-K92 WeakPolarHBondContact OE2-CE 3.19Å; E90-K92 IonicContact OE2-NZ 3.54Å; E90-K92 PolarHBondContact OE2-NZ 3.01Å
91T95.3Very high90.8Very high88 Ų8868 Ų6854%0.5439%0.387SS..EExtended strand (participates in β ladder)trans-91.6116.6171.2-54.90000107.9T65 V66T65-T91 HydrophobicContact CG2-CG2 4.42Å; V66-T91 WeakPolarHBondContact O-CA 3.44Å
92K93Very high90.5Very high58 Ų5865.2 Ų65.225%0.25237%0.372SS..EExtended strand (participates in β ladder)trans-118.2156.4-179.9-65-177.6-179.71700110.3T65 V66 H68 E90 M97T65-K92 WeakPolarHBondContact CA-O 3.21Å; V66-K92 PolarHBondContact N-O 2.89Å; V66-K92 PolarHBondContact O-N 3.42Å; H68-K92 HydrophobicContact CB-CD 4.34Å; E90-K92 HydrophobicContact CB-CG 4.48Å; E90-K92 WeakPolarHBondContact OE2-CE 3.19Å; E90-K92 IonicContact OE2-NZ 3.54Å; E90-K92 PolarHBondContact OE2-NZ 3.01Å; K92-M97 HydrophobicContact CB-CG 4.45Å; K92-M97 HydrophobicContact CB-SD 4.5Å; K92-M97 HydrophobicContact CD-CG 4.44Å; K92-M97 HydrophobicContact CD-SD 4.31Å
93Q91.3Very high90.3Very high84 Ų8468 Ų6839%0.39339%0.393SS..EExtended strand (participates in β ladder)trans-76.4142.1170.8-66.6-64.880.100109.9T95 E96Q93-T95 PolarHBondContact O-N 3.14Å; Q93-T95 VanDerWaalsContact O-N 3.15Å; Q93-E96 HydrophobicContact CB-CG 4.09Å; Q93-E96 PolarHBondContact N-OE2 3.48Å; Q93-E96 WeakPolarHBondContact O-CB 3.13Å; Q93-E96 PolarHBondContact O-N 3.47Å
94L87.4Confident90Very high9 Ų966.3 Ų66.35%0.04739%0.387CS..G310 helixtrans-57.6-32.5179.2-174.162.9000112.1G64 V66 E96 M97 I101 L105 L113G64-L94 WeakPolarHBondContact O-CB 3.3Å; G64-L94 PolarHBondContact O-N 2.9Å; V66-L94 HydrophobicContact CG2-CB 4.3Å; V66-L94 HydrophobicContact CG2-CD1 3.58Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.44Å; L94-M97 PolarHBondContact O-N 3.23Å; L94-I101 HydrophobicContact CD1-CG1 3.93Å; L94-I101 HydrophobicContact CD1-CG2 3.97Å; L94-L105 HydrophobicContact CD1-CD1 4.21Å; L94-L105 HydrophobicContact CD1-CD2 4.27Å; L94-L105 HydrophobicContact CD2-CD1 4.46Å; L94-L113 HydrophobicContact CD2-CB 4.16Å; L94-L113 HydrophobicContact CD2-CD1 3.73Å; L94-L113 HydrophobicContact CD2-CG 4.35Å; L94-L113 HydrophobicContact CG-CD1 4.13Å
95T85.4Confident89.6Confident62 Ų6266.1 Ų66.138%0.3838%0.383SS..G310 helixtrans-65.2-29.8177.251.30000113.7Q93 M97Q93-T95 PolarHBondContact O-N 3.14Å; Q93-T95 VanDerWaalsContact O-N 3.15Å; T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.04Å
96E88.8Confident89.1Confident132 Ų13265.9 Ų65.962%0.61739%0.393SS*.G310 helixtrans-76.4-19179.6-65.6171.6175.300112.7Q93 L94Q93-E96 HydrophobicContact CB-CG 4.09Å; Q93-E96 PolarHBondContact N-OE2 3.48Å; Q93-E96 WeakPolarHBondContact O-CB 3.13Å; Q93-E96 PolarHBondContact O-N 3.47Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.44Å
97M86.9Confident88.5Confident35 Ų3567.3 Ų67.317%0.17241%0.41CS..G310 helixtrans-985.7179.3-60.8-15770.700113.2V66 H68 K92 L94 T95 G100 I101V66-M97 HydrophobicContact CB-SD 4.5Å; V66-M97 HydrophobicContact CG1-SD 4.31Å; H68-M97 HydrophobicContact CB-SD 4.27Å; K92-M97 HydrophobicContact CB-CG 4.45Å; K92-M97 HydrophobicContact CB-SD 4.5Å; K92-M97 HydrophobicContact CD-CG 4.44Å; K92-M97 HydrophobicContact CD-SD 4.31Å; L94-M97 PolarHBondContact O-N 3.23Å; T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.04Å; M97-G100 PolarHBondContact O-N 3.15Å; M97-I101 HydrophobicContact CB-CB 3.93Å; M97-I101 HydrophobicContact CB-CG1 4.44Å; M97-I101 HydrophobicContact CB-CG2 4.06Å; M97-I101 WeakPolarHBondContact O-CB 3.47Å; M97-I101 WeakPolarHBondContact O-CG2 3.37Å; M97-I101 PolarHBondContact O-N 3.09Å; M97-I101 VanDerWaalsContact O-N 3.07Å
98L85.2Confident87.9Confident71 Ų7171.5 Ų71.537%0.37242%0.42SS..THydrogen-bonded Turntrans-76.1140.9172.9-64.9173.5000110.4I101 L102 L113L98-I101 HydrophobicContact CD2-CG2 3.79Å; L98-I101 HydrophobicContact CG-CG2 4.45Å; L98-L102 HydrophobicContact CD2-CD1 4.19Å; L98-L102 HydrophobicContact CD2-CD2 3.72Å; L98-L102 HydrophobicContact CD2-CG 3.68Å; L98-L113 HydrophobicContact CD2-CD2 4.05Å
99P85.7Confident87.1Confident104 Ų10466.4 Ų66.468%0.67540%0.4SS*.THydrogen-bonded Turncis-91.8-9.34.634.3-34.4000114.8I101 L102P99-I101 VanDerWaalsContact C-N 3.29Å; P99-I101 PolarHBondContact O-N 2.88Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CB 3.45Å; P99-L102 WeakPolarHBondContact O-CG 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å
100G85.6Confident86.3Confident47 Ų4766.7 Ų66.749%0.48539%0.394SS..G310 helixtrans-57.7-38.9-169.800000114M97 L102 S103M97-G100 PolarHBondContact O-N 3.15Å; G100-L102 PolarHBondContact O-N 2.86Å; G100-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-OG 3.12Å
101I86.5Confident85.6Confident4 Ų465.8 Ų65.82%0.02140%0.396CS..G310 helixtrans-66.2-20.3-178.8-158.961.5000113.4N58 L94 M97 L98 P99 S103 Q104 L105N58-I101 HydrophobicContact CB-CD1 4.17Å; L94-I101 HydrophobicContact CD1-CG1 3.93Å; L94-I101 HydrophobicContact CD1-CG2 3.97Å; M97-I101 HydrophobicContact CB-CB 3.93Å; M97-I101 HydrophobicContact CB-CG1 4.44Å; M97-I101 HydrophobicContact CB-CG2 4.06Å; M97-I101 WeakPolarHBondContact O-CB 3.47Å; M97-I101 WeakPolarHBondContact O-CG2 3.37Å; M97-I101 PolarHBondContact O-N 3.09Å; M97-I101 VanDerWaalsContact O-N 3.07Å; L98-I101 HydrophobicContact CD2-CG2 3.79Å; L98-I101 HydrophobicContact CG-CG2 4.45Å; P99-I101 VanDerWaalsContact C-N 3.29Å; P99-I101 PolarHBondContact O-N 2.88Å; I101-S103 PolarHBondContact O-N 2.93Å; I101-Q104 HydrophobicContact CD1-CB 4.36Å; I101-Q104 PolarHBondContact O-N 3.17Å; I101-L105 HydrophobicContact CG1-CG 4.34Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.16Å
102L85Confident84.8Confident76 Ų7664.7 Ų64.740%0.39839%0.392SS..G310 helixtrans-60.8-31.7-179.6-69171.4000112.9L98 P99 G100 Q104 L105 L110 L113L98-L102 HydrophobicContact CD2-CD1 4.19Å; L98-L102 HydrophobicContact CD2-CD2 3.72Å; L98-L102 HydrophobicContact CD2-CG 3.68Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CB 3.45Å; P99-L102 WeakPolarHBondContact O-CG 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; G100-L102 PolarHBondContact O-N 2.86Å; L102-Q104 PolarHBondContact O-N 2.9Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L113 HydrophobicContact CD2-CD2 3.88Å
103S88.4Confident84Confident107 Ų10762.9 Ų62.975%0.74839%0.385SS*.G310 helixtrans-70.6-21.4177.864.20000113.4G100 I101G100-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-OG 3.12Å; I101-S103 PolarHBondContact O-N 2.93Å
104Q87.1Confident83.5Confident90 Ų9067.3 Ų67.342%0.42140%0.398SS..THydrogen-bonded Turntrans-100.8-18.5-177.9-57.5176.914.800112E56 N58 I101 L102E56-Q104 PolarHBondContact OE1-NE2 3.49Å; N58-Q104 PolarHBondContact ND2-OE1 3.29Å; I101-Q104 HydrophobicContact CD1-CB 4.36Å; I101-Q104 PolarHBondContact O-N 3.17Å; L102-Q104 PolarHBondContact O-N 2.9Å
105L85.7Confident83.2Confident12 Ų1273.2 Ų73.26%0.06342%0.423CS..  trans-74.5129.4175.7-72170.4000110.5I60 L94 I101 L102 S109 L110 L113I60-L105 HydrophobicContact CD1-CD2 3.5Å; I60-L105 VanDerWaalsContact CD1-CD2 3.5Å; I60-L105 HydrophobicContact CG1-CD2 4.11Å; I60-L105 HydrophobicContact CG2-CD2 4.29Å; L94-L105 HydrophobicContact CD1-CD1 4.21Å; L94-L105 HydrophobicContact CD1-CD2 4.27Å; L94-L105 HydrophobicContact CD2-CD1 4.46Å; I101-L105 HydrophobicContact CG1-CG 4.34Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.16Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L105-S109 WeakPolarHBondContact CA-OG 3.4Å; L105-S109 WeakPolarHBondContact CB-OG 3.49Å; L105-S109 VanDerWaalsContact CD2-OG 3.23Å; L105-S109 WeakPolarHBondContact CD2-OG 3.48Å; L105-L110 HydrophobicContact CB-CD2 4.11Å; L105-L110 HydrophobicContact CB-CG 4.25Å; L105-L110 HydrophobicContact CD1-CD2 4.13Å; L105-L113 HydrophobicContact CD1-CD2 4.16Å
106G83.6Confident82.8Confident42 Ų4272.5 Ų72.543%0.43342%0.417SS..  trans-76.2166.6168.100000112.1D108 S109 L110G106-D108 PolarHBondContact O-N 3.39Å; G106-D108 VanDerWaalsContact O-N 3.14Å; G106-S109 PolarHBondContact N-OG 3.43Å; G106-S109 PolarHBondContact O-N 3.16Å; G106-S109 VanDerWaalsContact O-N 3.07Å; G106-S109 PolarHBondContact O-OG 3.5Å; G106-L110 PolarHBondContact O-N 3.29Å; G106-L110 VanDerWaalsContact O-N 3.1Å
107A80.1Confident82.1Confident83 Ų8368.5 Ų68.569%0.68641%0.407SS*.Hα-helixtrans-52.3-37.6178.800000113.1L110 S111A107-L110 PolarHBondContact O-N 3.09Å; A107-S111 PolarHBondContact O-N 3.26Å
108D79.8Confident81.8Confident139 Ų13973.7 Ų73.774%0.74343%0.431SS*.Hα-helixtrans-65.9-44.4179.7-59.7-31.2000111.8G106 L110 S111G106-D108 PolarHBondContact O-N 3.39Å; G106-D108 VanDerWaalsContact O-N 3.14Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.04Å; D108-S111 WeakPolarHBondContact O-CB 3.49Å; D108-S111 PolarHBondContact O-N 3.35Å; D108-S111 PolarHBondContact O-OG 3.46Å
109S77.6Confident81Confident27 Ų2777.9 Ų77.919%0.18945%0.448CS..Hα-helixtrans-71.1-26.9178.556.50000113.7L105 G106 S111 S112 L113L105-S109 WeakPolarHBondContact CA-OG 3.4Å; L105-S109 WeakPolarHBondContact CB-OG 3.49Å; L105-S109 VanDerWaalsContact CD2-OG 3.23Å; L105-S109 WeakPolarHBondContact CD2-OG 3.48Å; G106-S109 PolarHBondContact N-OG 3.43Å; G106-S109 PolarHBondContact O-N 3.16Å; G106-S109 VanDerWaalsContact O-N 3.07Å; G106-S109 PolarHBondContact O-OG 3.5Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.18Å; S109-S112 PolarHBondContact O-N 3.31Å; S109-L113 PolarHBondContact O-N 3.46Å
110L78.4Confident80.1Confident56 Ų5678.6 Ų78.629%0.29344%0.441SS..Hα-helixtrans-67.5-31.9172.1-70.1173.8000112L102 L105 G106 A107 D108 L113 R114L102-L110 HydrophobicContact CD2-CD2 3.68Å; L105-L110 HydrophobicContact CB-CD2 4.11Å; L105-L110 HydrophobicContact CB-CG 4.25Å; L105-L110 HydrophobicContact CD1-CD2 4.13Å; G106-L110 PolarHBondContact O-N 3.29Å; G106-L110 VanDerWaalsContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 3.09Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.04Å; L110-L113 HydrophobicContact CD2-CD2 4.42Å; L110-L113 PolarHBondContact O-N 3.26Å; L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 3Å
111S80.9Confident78.8Confident55 Ų5581.1 Ų81.139%0.38545%0.449SS..Hα-helixtrans-65.5-40.3175.180.80000111.8A107 D108 S109 R114 K115A107-S111 PolarHBondContact O-N 3.26Å; D108-S111 WeakPolarHBondContact O-CB 3.49Å; D108-S111 PolarHBondContact O-N 3.35Å; D108-S111 PolarHBondContact O-OG 3.46Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.18Å; S111-R114 PolarHBondContact O-N 3.2Å; S111-K115 WeakPolarHBondContact O-CG 3.5Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å
112S77.7Confident77.5Confident66 Ų6690.5 Ų90.546%0.46248%0.484SS..Hα-helixtrans-66.1-41.8174.3-57.60000111.5S109 K115 L116S109-S112 PolarHBondContact O-N 3.31Å; S112-K115 PolarHBondContact O-N 3.37Å; S112-L116 PolarHBondContact O-N 3Å
113L77.4Confident75.7Confident19 Ų1995 Ų9510%0.09950%0.503CS..Hα-helixtrans-63.3-41.3175.2179.463.9000111.9L94 L98 L102 L105 S109 L110 L116 A117L94-L113 HydrophobicContact CD2-CB 4.16Å; L94-L113 HydrophobicContact CD2-CD1 3.73Å; L94-L113 HydrophobicContact CD2-CG 4.35Å; L94-L113 HydrophobicContact CG-CD1 4.13Å; L98-L113 HydrophobicContact CD2-CD2 4.05Å; L102-L113 HydrophobicContact CD2-CD2 3.88Å; L105-L113 HydrophobicContact CD1-CD2 4.16Å; S109-L113 PolarHBondContact O-N 3.46Å; L110-L113 HydrophobicContact CD2-CD2 4.42Å; L110-L113 PolarHBondContact O-N 3.26Å; L113-L116 WeakPolarHBondContact O-CB 3.5Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 2.73Å
114R80.4Confident73.8Confident178 Ų17894.7 Ų94.767%0.67250%0.501SS*.Hα-helixtrans-60.7-46175.5-78.8180-178.3168.71.4111.7L110 S111 L116 A117 E118L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 3Å; S111-R114 PolarHBondContact O-N 3.2Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.73Å; R114-A117 PolarHBondContact O-N 2.91Å; R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 WeakPolarHBondContact O-CG 3.48Å; R114-E118 PolarHBondContact O-N 3.16Å
115K81.8Confident71.7Confident132 Ų13298.5 Ų98.557%0.57452%0.52SS*.Hα-helixtrans-60-40.4175.3-71.9173.1-179.5175.30112.1S111 S112 Q119S111-K115 WeakPolarHBondContact O-CG 3.5Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å; S112-K115 PolarHBondContact O-N 3.37Å; K115-Q119 WeakPolarHBondContact O-CG 3.19Å; K115-Q119 PolarHBondContact O-N 3.48Å
116L76.3Confident69.5Low47 Ų47105.3 Ų105.325%0.24655%0.552CS.*Hα-helixtrans-66.4-42.8176-158.983.1000111.2S112 L113 R114 E118 Q119 F120S112-L116 PolarHBondContact O-N 3Å; L113-L116 WeakPolarHBondContact O-CB 3.5Å; L113-L116 PolarHBondContact O-N 3.13Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.73Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.49Å; L116-Q119 PolarHBondContact O-N 3.11Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 3.27Å; L116-F120 VanDerWaalsContact O-N 3.16Å
117A75Confident67.5Low49 Ų49110.8 Ų110.841%0.40557%0.57SS.*Hα-helixtrans-67.3-32.3178.700000112.9L113 R114 Q119 F120L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 2.73Å; R114-A117 PolarHBondContact O-N 2.91Å; A117-Q119 VanDerWaalsContact C-N 3.32Å; A117-F120 PolarHBondContact O-N 3.35Å
118E78.8Confident65.7Low144 Ų144116.8 Ų116.867%0.67358%0.581SS**Hα-helixtrans-70.6-27.6173.6-75169.4-175.700112.7R114 L116R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 WeakPolarHBondContact O-CG 3.48Å; R114-E118 PolarHBondContact O-N 3.16Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.49Å
119Q69.7Low63.7Low158 Ų158114.1 Ų114.174%0.73858%0.578SS**Hα-helixtrans-80.9-22174.6-71.3176.13.300113K115 L116 A117K115-Q119 WeakPolarHBondContact O-CG 3.19Å; K115-Q119 PolarHBondContact O-N 3.48Å; L116-Q119 PolarHBondContact O-N 3.11Å; A117-Q119 VanDerWaalsContact C-N 3.32Å
120F65.6Low61.6Low119 Ų119119 Ų11952%0.52261%0.607SS.*SBendtrans-73.7123.9168.9-95.4-95.2000109L116 A117 R122L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 3.27Å; L116-F120 VanDerWaalsContact O-N 3.16Å; A117-F120 PolarHBondContact O-N 3.35Å; F120-R122 PolarHBondContact O-N 3.31Å
121P59.1Low59.6Low100 Ų100126.6 Ų126.665%0.64964%0.637SS**  trans-57.2127.6175.120.7-28.8000108.8Q123P121-Q123 PolarHBondContact O-N 3.48Å
122R58.2Low57.6Low202 Ų202132.1 Ų132.176%0.76266%0.657SS**G310 helixtrans-597.4-174.7-71.9-169.1173.7-169.2-0.1115.5F120 S124F120-R122 PolarHBondContact O-N 3.31Å; R122-S124 PolarHBondContact O-N 2.99Å; R122-S124 VanDerWaalsContact O-N 3.16Å
123Q48.3Very low55.6Low169 Ų169137.6 Ų137.679%0.7968%0.675SS**G310 helixtrans-74.3-7-168.4-154.9170.80.300114.4P121P121-Q123 PolarHBondContact O-N 3.48Å
124S48Very low53.4Low102 Ų102144.7 Ų144.771%0.71371%0.713SS**G310 helixtrans-110.4-7.5-175.663.50000116.3R122R122-S124 PolarHBondContact O-N 2.99Å; R122-S124 VanDerWaalsContact O-N 3.16Å
125M43.6Very low51.5Low169 Ų169140 Ų14083%0.83371%0.712SS**THydrogen-bonded Turntrans-106.5-7-178.9-83.1-150.5-86.900115.5
126E39.5Very low49.4Very low155 Ų155142 Ų14272%0.72472%0.724SS**SBendtrans-96.1-0.5-179.4-114.8167.8139.300115.1
127L41.7Very low47.9Very low157 Ų157148.2 Ų148.282%0.82275%0.752SS**SBendtrans-89.84.9-178.2-100.291.2000116.1
128K40.9Very low46.2Very low210 Ų210155.4 Ų155.491%0.91378%0.777SS**SBendtrans-130.47.7-173.8-102.5-174.8179.2-179.40118.3
129A38.3Very low45Very low82 Ų82156.4 Ų156.468%0.67879%0.787SS**SBendtrans-154.393.8165.200000105.3
130V34.6Very low44.4Very low130 Ų130156.2 Ų156.279%0.78879%0.791SS**  -160.5111.270.1175.70000106.6
131K36.6Very low44.2Very low215 Ų215158.2 Ų158.294%0.93581%0.807SS**  trans-130.265.7164.3-146.7-176.6-165.5-179.50108.4
132E38.3Very low44.3Very low171 Ų171159.9 Ų159.980%0.79982%0.815SS**SBendtrans-148.6119.3159.2-107.9170.4-167.600106.9
133E35.4Very low44.7Very low181 Ų181155.8 Ų155.885%0.84682%0.815SS**SBendtrans81.176.7166.4-51.7-171171.600119.7
134N30.4Very low45.7Very low168 Ų168154.9 Ų154.990%0.89882%0.815SS**  179.7149.5108.1-112.1-50.3000111.7
135A40.4Very low46.5Very low79 Ų79157.9 Ų157.965%0.65382%0.823SS**  trans-78.4162.2177.300000112.4
136E39Very low47.3Very low176 Ų176155.9 Ų155.982%0.82282%0.82SS**  trans93.8119.1158.7-64.3173.5-176.600118.5
137E45.5Very low48.2Very low177 Ų177156.5 Ų156.583%0.82782%0.823SS**  trans71.997151.1-60.8-178.8-179.200119.2
138E38.6Very low48.9Very low200 Ų200155.2 Ų155.294%0.93582%0.817SS**  173.5135.4111.2-93177.9171.200110.4
139D53.4Low49.8Very low165 Ų165154 Ų15488%0.88281%0.812SS**  trans-11358-156-155.915.7000110.2
140D57.5Low50.8Low153 Ų153155.2 Ų155.282%0.81881%0.807SS**  trans-153.265.6-169.6-108.5-20.8000114.4
141D60.8Low51.9Low162 Ų162156.6 Ų156.687%0.86680%0.804SS**  trans-179.241151-98-28.7000113.7P143D141-P143 VanDerWaalsContact O-CD 3.27Å; D141-P143 WeakPolarHBondContact O-CD 3.48Å
142V61.2Low52.9Low135 Ų135150 Ų15082%0.81879%0.79SS**  trans-99.6103.5165.4-176.40000108.3D144V142-D144 PolarHBondContact O-N 3.26Å
143P66.9Low53.9Low115 Ų115145.6 Ų145.675%0.74778%0.778SS**  trans-63.4132.6167.224-30000109.4D141 L145D141-P143 VanDerWaalsContact O-CD 3.27Å; D141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-L145 PolarHBondContact O-N 3.48Å
144D69.6Low55.1Low150 Ų150144.7 Ų144.780%0.80277%0.771SS**  trans-55.2134.6-173.7-138.1-6.5000111.2V142 V146V142-D144 PolarHBondContact O-N 3.26Å; D144-V146 PolarHBondContact O-N 3.11Å
145L64.1Low56.6Low166 Ų166143.8 Ų143.887%0.86977%0.767SS**  trans-62.4103.4178.6-81.7154.6000108.2P143 E147P143-L145 PolarHBondContact O-N 3.48Å; L145-E147 PolarHBondContact O-N 3.11Å
146V61.5Low57.6Low127 Ų127148.8 Ų148.877%0.7778%0.777SS**  trans-62.6103.6176.5-162.60000108.7D144D144-V146 PolarHBondContact O-N 3.11Å
147E57.8Low58.4Low168 Ų168144.7 Ų144.779%0.78577%0.773SS**  trans34.5121.3158.6-64.7-179166.900119L145 F149L145-E147 PolarHBondContact O-N 3.11Å; E147-F149 PolarHBondContact O-N 3.2Å; E147-F149 VanDerWaalsContact O-N 3.09Å
148N56.8Low58.4Low130 Ų130147.4 Ų147.470%0.69579%0.793SS**  trans-47.1105.2179.3-148.56000112.7D150 E151N148-D150 PolarHBondContact O-N 3.44Å; N148-E151 PolarHBondContact O-N 3.44Å
149F58.1Low59.4Low185 Ų185144.8 Ų144.881%0.81179%0.786SS**THydrogen-bonded Turntrans-55.7-9.9177.6-77.6-91.1000114.6E147 E151E147-F149 PolarHBondContact O-N 3.2Å; E147-F149 VanDerWaalsContact O-N 3.09Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å
150D60Low59.7Low107 Ų107143.7 Ų143.757%0.57278%0.781SS**THydrogen-bonded Turntrans-71.5-18.9176.2-85.7-19.7000114.1N148 S153N148-D150 PolarHBondContact O-N 3.44Å; D150-S153 PolarHBondContact O-OG 3.31Å
151E58.4Low59.9Low158 Ų158143.2 Ų143.274%0.73878%0.779SS**THydrogen-bonded Turntrans-81.7-30.1-179-150.9168.2-153.500113.1N148 F149 S153 K154N148-E151 PolarHBondContact O-N 3.44Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å; E151-S153 PolarHBondContact O-N 3.31Å; E151-K154 PolarHBondContact O-N 2.96Å
152A57.8Low59.8Low77 Ų77142.1 Ų142.164%0.63677%0.773SS**G310 helixtrans-65.5-24.4175.300000113.1
153S57.7Low59.7Low79 Ų79142.5 Ų142.555%0.55277%0.771SS**G310 helixtrans-82.1-11.7-176.870.70000114.8D150 E151D150-S153 PolarHBondContact O-OG 3.31Å; E151-S153 PolarHBondContact O-N 3.31Å
154K61.1Low59.3Low161 Ų161144.3 Ų144.370%0.777%0.772SS**G310 helixtrans-89.1-15.9-179.7-77.2172.2-178.1165.10114.2E151E151-K154 PolarHBondContact O-N 2.96Å
155N62.2Low58.5Low150 Ų150143.9 Ų143.980%0.80277%0.77SS**THydrogen-bonded Turntrans-92.6-0.5-176.5-83.6-9.3000114.9
156E61Low58.1Low184 Ų184142.2 Ų142.286%0.8676%0.762SS**THydrogen-bonded Turntrans-981.4176.4-67.5-163.5157.100114.1
157A56.7Low57.8Low90 Ų90143.5 Ų143.574%0.74476%0.762SS**  trans-108.463.4176.900000111.7
158N46Very low57.8Low233 Ų233141.3 Ų141.3100%1.24676%0.76SS**  trans-149.20155.1-152.923.4000111.2

Retrieved 158 of 158 residues in 55.1 ms (Link to these results)