A0A087X2Q8_POEFO Loading...

CDC42 effector protein (Rho GTPase binding) 1b

AlphaFold DB , UniProt , Accession A0A087X2Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 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
1M47.3Very low57.3Low241 Ų241147.2 Ų147.2100%1.18786%0.86SS**  0121.50-65-144.475.300109
2S47.5Very low57.6Low122 Ų122149.3 Ų149.385%0.85386%0.863SS**  trans179.9101.6144.8-173.60000107.1
3L55.8Low57Low167 Ų167148.7 Ų148.787%0.87486%0.863SS**  trans-80.3114.9173.3-68.7170000107.6K5L3-K5 PolarHBondContact O-N 3.36Å
4G57.3Low56.4Low74 Ų74146.8 Ų146.876%0.76386%0.862SS**  trans-62123.1173.800000110.7L6G4-L6 PolarHBondContact O-N 3.41Å
5K64.1Low55.8Low205 Ų205141 Ų14189%0.89185%0.846SS**  trans-76.5111.2175.9-69.5163.1177.51720108.9L3L3-K5 PolarHBondContact O-N 3.36Å
6L64.9Low55.9Low166 Ų166139.8 Ų139.887%0.86985%0.846SS**PPolyproline II helixtrans-81.4124.6164.7-70172.7000108.8G4 G8G4-L6 PolarHBondContact O-N 3.41Å; L6-G8 PolarHBondContact O-N 3.43Å
7P57.1Low55.7Low127 Ų127142.1 Ų142.183%0.82585%0.845SS**PPolyproline II helixtrans-66129.7171.820-23.9000110.6
8G53.6Low55.5Low61 Ų61137.3 Ų137.363%0.62983%0.83SS**PPolyproline II helixtrans-55.1133.4-166.700000116.4L6 K10L6-G8 PolarHBondContact O-N 3.43Å; G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 2.92Å
9I63.6Low55.5Low180 Ų180142.2 Ų142.292%0.92384%0.84SS**  trans-60.885.8151.645.9158.6000109.6
10K59.7Low55.8Low202 Ų202146.3 Ų146.388%0.87884%0.84SS**  trans-12292.8168-63.9-170.9-177.8-165.20107.8G8G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 2.92Å
11G59.2Low56Low74 Ų74150.2 Ų150.276%0.76384%0.841SS**  trans-173.59.6177.100000115
12L60.6Low56.5Low172 Ų172148.3 Ų148.390%0.90183%0.827SS**SBendtrans-106.6119.7171.5-60.4179.3000107.2
13V50.2Low57.4Low142 Ų142150.8 Ų150.886%0.86182%0.822SS**  trans78108.9-179.6160.80000115.3
14S48.3Very low58Low122 Ų122147.1 Ų147.185%0.85381%0.81SS**  176.4125.499.7-167.90000110.7
15G47.7Very low59.1Low60 Ų60150.2 Ų150.262%0.61981%0.809SS**  trans165.539.8174.500000115.8Q17G15-Q17 PolarHBondContact O-N 3.14Å
16S57Low60.1Low121 Ų121145.9 Ų145.985%0.84680%0.795SS**  trans-68.879.4157.556.40000108.3
17Q53.4Low61.1Low179 Ų179140.6 Ų140.684%0.83677%0.772SS**  trans-121.1112.7174-74.1-65.8-24.100108.6G15G15-Q17 PolarHBondContact O-N 3.14Å
18G51.8Low62.7Low56 Ų56140.2 Ų140.258%0.57777%0.767SS**  trans89.688.5162.700000114.9R20G18-R20 PolarHBondContact O-N 3.24Å
19K55.4Low64.4Low231 Ų231144.7 Ų144.7100%1.00478%0.777SS**  trans-5871.6134.4-79-177.4171.2176.80108.2
20R60.9Low65.8Low224 Ų224141.5 Ų141.585%0.84576%0.759SS**  trans-115.195.7169.7-161178.9175.3-157.7-2.6103.9G18 F22G18-R20 PolarHBondContact O-N 3.24Å; R20-F22 PolarHBondContact O-N 3.14Å
21R60.3Low67.3Low228 Ų228136.7 Ų136.786%0.8674%0.742SS**  trans11.198.7168.9-56.4-174.5-173-177.42.1111.2K23R21-K23 PolarHBondContact O-N 3.46Å
22F59.1Low68.8Low202 Ų202136.7 Ų136.789%0.88673%0.73SS**  trans-56.486.7158.7-81.1-87.8000105.5R20 S24R20-F22 PolarHBondContact O-N 3.14Å; F22-S24 PolarHBondContact O-N 2.91Å
23K64.7Low70.2Confident173 Ų173133.2 Ų133.275%0.75272%0.718SS**  trans-60.790.3149.9-70.8-172170.9-169.10101.4R21 D25R21-K23 PolarHBondContact O-N 3.46Å; K23-D25 PolarHBondContact O-N 2.84Å
24S69.4Low72.1Confident90 Ų90132.2 Ų132.263%0.62972%0.715SS**  trans-60.695.916749.70000103.8F22 L26F22-S24 PolarHBondContact O-N 2.91Å; S24-L26 PolarHBondContact O-N 2.89Å
25D80.1Confident73.9Confident139 Ų139133.4 Ų133.474%0.74371%0.71SS**  trans-54.2110.7175.5-71.7-32.1000106K23 S27 M30K23-D25 PolarHBondContact O-N 2.84Å; D25-S27 PolarHBondContact O-N 2.98Å; D25-M30 VanDerWaalsContact O-CE 3.25Å; D25-M30 WeakPolarHBondContact O-CE 3.43Å
26L84.9Confident75.9Confident114 Ų114132.2 Ų132.260%0.59770%0.699SS**  trans-77.995.4-173.4-154.7116.9000106.7S24 M30 I31S24-L26 PolarHBondContact O-N 2.89Å; L26-M30 VanDerWaalsContact CA-CE 3.49Å; L26-M30 HydrophobicContact CB-CE 4.47Å; L26-M30 HydrophobicContact CG-CE 4.26Å; L26-I31 HydrophobicContact CD2-CD1 3.66Å; L26-I31 HydrophobicContact CD2-CG1 3.34Å
27S87.1Confident77.5Confident55 Ų55132.3 Ų132.339%0.38569%0.689SS.*  trans-65.4149.317665.50000110.1D25 D29 M30D25-S27 PolarHBondContact O-N 2.98Å; S27-D29 PolarHBondContact O-N 3.01Å; S27-D29 VanDerWaalsContact O-N 3.14Å; S27-M30 WeakPolarHBondContact O-CB 3.46Å; S27-M30 PolarHBondContact O-N 3.27Å
28V90.3Very high79.1Confident119 Ų119132.7 Ų132.772%0.72169%0.689SS**G310 helixtrans-55.8-32.5179.7179.40000111.3M30 I31V28-M30 PolarHBondContact O-N 2.93Å; V28-I31 WeakPolarHBondContact O-CB 3.25Å; V28-I31 PolarHBondContact O-N 3Å
29D88.8Confident80.8Confident155 Ų155139.9 Ų139.983%0.82970%0.699SS**G310 helixtrans-67.8-18.7178.2-55.1-34.7000113.7S27 I31S27-D29 PolarHBondContact O-N 3.01Å; S27-D29 VanDerWaalsContact O-N 3.14Å; D29-I31 VanDerWaalsContact C-N 3.33Å
30M93.4Very high82.5Confident114 Ų114138 Ų13856%0.56269%0.693SS**G310 helixtrans-86-6.8172.3-65.6-168.4-68.600112.6D25 L26 S27 V28D25-M30 VanDerWaalsContact O-CE 3.25Å; D25-M30 WeakPolarHBondContact O-CE 3.43Å; L26-M30 VanDerWaalsContact CA-CE 3.49Å; L26-M30 HydrophobicContact CB-CE 4.47Å; L26-M30 HydrophobicContact CG-CE 4.26Å; S27-M30 WeakPolarHBondContact O-CB 3.46Å; S27-M30 PolarHBondContact O-N 3.27Å; V28-M30 PolarHBondContact O-N 2.93Å
31I89.9Confident83.8Confident101 Ų101130.9 Ų130.952%0.51867%0.674SS.*SBendtrans-97.8112.2174.1-54.3174.8000107.9L26 V28 D29L26-I31 HydrophobicContact CD2-CD1 3.66Å; L26-I31 HydrophobicContact CD2-CG1 3.34Å; V28-I31 WeakPolarHBondContact O-CB 3.25Å; V28-I31 PolarHBondContact O-N 3Å; D29-I31 VanDerWaalsContact C-N 3.33Å
32S90.8Very high85.2Confident73 Ų73122 Ų12251%0.5164%0.643SS.*PPolyproline II helixtrans-66149.5172.659.40000111
33P91.3Very high86.7Confident100 Ų100118.2 Ų118.265%0.64963%0.628SS**PPolyproline II helixtrans-56.9160.5166.225.8-34000110.9L35P33-L35 PolarHBondContact O-N 3.13Å
34P89.1Confident87.9Confident121 Ų121112.7 Ų112.779%0.78661%0.608SS**PPolyproline II helixtrans-52.4127.2178.721.8-33.3000110.3G36P34-G36 PolarHBondContact O-N 3.09Å
35L87.3Confident88.6Confident146 Ų146109.2 Ų109.276%0.76459%0.587SS**  trans-75.87.2-170.9-61.2179.9000113.6P33 D37P33-L35 PolarHBondContact O-N 3.13Å; L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 2.83Å
36G89.4Confident88.7Confident36 Ų36115.2 Ų115.237%0.37160%0.6SS.*  trans69.228.9-178.800000113.1P34 F38P34-G36 PolarHBondContact O-N 3.09Å; G36-F38 VanDerWaalsContact CA-CE2 3.44Å; G36-F38 VanDerWaalsContact O-CD2 3.23Å; G36-F38 WeakPolarHBondContact O-CD2 3.23Å; G36-F38 PolarHBondContact O-N 3.47Å
37D89.5Confident88.6Confident122 Ų122113.1 Ų113.165%0.65261%0.605SS**  trans-71.762.7167.865.7-39000110.3L35 R39L35-D37 VanDerWaalsContact C-N 3.3Å; L35-D37 PolarHBondContact O-N 2.83Å; D37-R39 PolarHBondContact O-N 3.43Å
38F87.9Confident88.4Confident187 Ų187111.1 Ų111.182%0.8259%0.593SS**  trans-72.499.4179.2-66.5-74.4000109.6G36G36-F38 VanDerWaalsContact CA-CE2 3.44Å; G36-F38 VanDerWaalsContact O-CD2 3.23Å; G36-F38 WeakPolarHBondContact O-CD2 3.23Å; G36-F38 PolarHBondContact O-N 3.47Å
39R88.4Confident88.1Confident208 Ų208111.1 Ų111.179%0.78559%0.589SS**  trans-101.2121.9173-61.1176.868-157.5-0.5108D37 T41D37-R39 PolarHBondContact O-N 3.43Å; R39-T41 PolarHBondContact O-N 2.64Å
40H90.2Very high87.9Confident192 Ų192105.5 Ų105.589%0.88956%0.56SS**  trans-69.3104.4170-69.8-64.6000108.8
41T88.9Confident87.5Confident74 Ų74108 Ų10845%0.45457%0.568SS.*  trans-91.8-21.5177.854.30000112.6R39 G52 D53R39-T41 PolarHBondContact O-N 2.64Å; T41-G52 CarbonylContact O-C 3.48Å; T41-G52 WeakPolarHBondContact O-CA 3.45Å; T41-D53 PolarHBondContact O-N 3.24Å
42M89.4Confident87.5Confident40 Ų40105.1 Ų105.120%0.19756%0.564CS.*EExtended strand (participates in β ladder)trans-148.1147.4-172.1-178.5-176.5-61.700111.8V44 V50 F51 D53 T54 F56 L57 F81M42-V44 HydrophobicContact CG-CG2 4.3Å; M42-V44 HydrophobicContact SD-CG2 4.06Å; M42-V50 HydrophobicContact CE-CG1 4.14Å; M42-V50 HydrophobicContact CG-CG1 3.52Å; M42-V50 HydrophobicContact SD-CG1 3.36Å; M42-V50 WeakPolarHBondContact SD-CG1 3.33Å; M42-F51 CarbonylContact C-O 3.55Å; M42-F51 WeakPolarHBondContact CA-O 3.4Å; M42-D53 WeakPolarHBondContact CE-O 3.43Å; M42-T54 VanDerWaalsContact CE-CA 3.48Å; M42-T54 HydrophobicContact CE-CG2 3.34Å; M42-T54 HydrophobicContact SD-CG2 4.37Å; M42-F56 HydrophobicContact CE-CE1 3.45Å; M42-F56 VanDerWaalsContact CE-CE1 3.45Å; M42-F56 HydrophobicContact CE-CZ 3.5Å; M42-F56 VanDerWaalsContact CE-CZ 3.5Å; M42-F56 HydrophobicContact SD-CZ 4.33Å; M42-L57 HydrophobicContact CE-CD1 3.94Å; M42-F81 HydrophobicContact CE-CZ 4.44Å; M42-F81 HydrophobicContact SD-CE2 3.93Å; M42-F81 HydrophobicContact SD-CZ 3.66Å
43H90.4Very high87.4Confident123 Ų123105.6 Ų105.657%0.56956%0.561SS**EExtended strand (participates in β ladder)trans-115.6133.7167.7176.975.4000109.8V50 F51H43-V50 VanDerWaalsContact O-CA 3.31Å; H43-V50 WeakPolarHBondContact O-CA 3.22Å; H43-F51 PolarHBondContact N-O 3.43Å; H43-F51 PolarHBondContact O-N 2.74Å
44V88.9Confident87Confident57 Ų57103 Ų10335%0.34554%0.543SS..EExtended strand (participates in β ladder)trans-117.2111.3172.9-178.10000108.6M42 D49 V50 F81 F85M42-V44 HydrophobicContact CG-CG2 4.3Å; M42-V44 HydrophobicContact SD-CG2 4.06Å; V44-D49 CarbonylContact C-O 3.54Å; V44-D49 WeakPolarHBondContact CA-O 3.11Å; V44-V50 HydrophobicContact CB-CG2 4.41Å; V44-V50 HydrophobicContact CG1-CG2 4.1Å; V44-V50 HydrophobicContact CG2-CG1 4.29Å; V44-V50 HydrophobicContact CG2-CG2 4Å; V44-F81 HydrophobicContact CG2-CD1 4.29Å; V44-F81 HydrophobicContact CG2-CE1 4.28Å; V44-F85 HydrophobicContact CG1-CE2 4.44Å
45G84.3Confident86.6Confident18 Ų18100.3 Ų100.319%0.18653%0.527CS..  trans-75.9160.3178.900000113G47 G48 D49G45-G47 PolarHBondContact O-N 2.87Å; G45-G48 PolarHBondContact O-N 3.04Å; G45-D49 PolarHBondContact N-O 3.2Å
46R83Confident86.3Confident265 Ų26597.8 Ų97.8100%151%0.51SS*.THydrogen-bonded Turntrans-57.7-16.7-179.9-83.8-179.2152.196.1-1.5115
47G81.9Confident85.7Confident69 Ų6998 Ų9871%0.71150%0.502SS*.THydrogen-bonded Turntrans-93.23175.900000114.9G45G45-G47 PolarHBondContact O-N 2.87Å
48G82.8Confident84.9Confident13 Ų1396.3 Ų96.313%0.13450%0.5CS..SBendtrans74.713.1-168.400000113.2G45G45-G48 PolarHBondContact O-N 3.04Å
49D84Confident84.1Confident120 Ų12094 Ų9464%0.64250%0.496SS*.  trans-70.1137.8167.1-17522.9000109.1V44 G45V44-D49 CarbonylContact C-O 3.54Å; V44-D49 WeakPolarHBondContact CA-O 3.11Å; G45-D49 PolarHBondContact N-O 3.2Å
50V85.1Confident83.1Confident37 Ų3793.2 Ų93.222%0.22450%0.495CS..EExtended strand (participates in β ladder)trans-133.9125.9-173.8-177.80000109.3M42 H43 V44 T54 F81M42-V50 HydrophobicContact CE-CG1 4.14Å; M42-V50 HydrophobicContact CG-CG1 3.52Å; M42-V50 HydrophobicContact SD-CG1 3.36Å; M42-V50 WeakPolarHBondContact SD-CG1 3.33Å; H43-V50 VanDerWaalsContact O-CA 3.31Å; H43-V50 WeakPolarHBondContact O-CA 3.22Å; V44-V50 HydrophobicContact CB-CG2 4.41Å; V44-V50 HydrophobicContact CG1-CG2 4.1Å; V44-V50 HydrophobicContact CG2-CG1 4.29Å; V44-V50 HydrophobicContact CG2-CG2 4Å; V50-T54 HydrophobicContact CG1-CG2 3.86Å; V50-F81 HydrophobicContact CB-CD2 4.47Å; V50-F81 HydrophobicContact CG1-CD2 4.42Å; V50-F81 HydrophobicContact CG1-CE2 4.19Å; V50-F81 HydrophobicContact CG2-CB 3.97Å; V50-F81 HydrophobicContact CG2-CD2 3.57Å; V50-F81 HydrophobicContact CG2-CE2 4.15Å; V50-F81 HydrophobicContact CG2-CG 3.88Å
51F84.3Confident81.7Confident166 Ų16687.1 Ų87.173%0.72848%0.484SS*.EExtended strand (participates in β ladder)trans-128.3145.9177.6-172.9-95.7000110.4M42 H43M42-F51 CarbonylContact C-O 3.55Å; M42-F51 WeakPolarHBondContact CA-O 3.4Å; H43-F51 PolarHBondContact N-O 3.43Å; H43-F51 PolarHBondContact O-N 2.74Å
52G91Very high80Confident41 Ų4186.4 Ų86.442%0.42349%0.492SS..EExtended strand (participates in β ladder)trans110.7-168.7-176.700000113.2T41 T54T41-G52 CarbonylContact O-C 3.48Å; T41-G52 WeakPolarHBondContact O-CA 3.45Å; G52-T54 PolarHBondContact O-N 3.34Å; G52-T54 VanDerWaalsContact O-N 3.14Å
53D88.8Confident78.3Confident83 Ų8392.8 Ų92.844%0.44453%0.525SS..  trans-72.3104.5-177.1-1767.2000111T41 M42 S55 F56T41-D53 PolarHBondContact O-N 3.24Å; M42-D53 WeakPolarHBondContact CE-O 3.43Å; D53-S55 WeakPolarHBondContact OD1-CB 3.14Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.81Å; D53-S55 PolarHBondContact OD2-OG 3.31Å; D53-F56 VanDerWaalsContact O-CE1 3.25Å; D53-F56 WeakPolarHBondContact O-CE1 3.25Å
54T83.4Confident76.4Confident46 Ų4697 Ų9728%0.28254%0.535SS..  trans-98.56.6174.562.60000112.8M42 V50 G52 F56 L57M42-T54 VanDerWaalsContact CE-CA 3.48Å; M42-T54 HydrophobicContact CE-CG2 3.34Å; M42-T54 HydrophobicContact SD-CG2 4.37Å; V50-T54 HydrophobicContact CG1-CG2 3.86Å; G52-T54 PolarHBondContact O-N 3.34Å; G52-T54 VanDerWaalsContact O-N 3.14Å; T54-F56 PolarHBondContact O-N 2.97Å; T54-L57 WeakPolarHBondContact O-CB 3.1Å; T54-L57 PolarHBondContact O-N 3.32Å
55S80.7Confident74.7Confident64 Ų64101.9 Ų101.945%0.44856%0.555SS.*Hα-helixtrans-57.7-35.3-172.162.30000112.5D53 L57 S58D53-S55 WeakPolarHBondContact OD1-CB 3.14Å; D53-S55 PolarHBondContact OD1-N 3.35Å; D53-S55 PolarHBondContact OD1-OG 2.81Å; D53-S55 PolarHBondContact OD2-OG 3.31Å; S55-L57 PolarHBondContact O-N 3.17Å; S55-L57 VanDerWaalsContact O-N 3.15Å; S55-S58 PolarHBondContact O-N 2.94Å; S55-S58 PolarHBondContact O-OG 2.98Å
56F80.8Confident72.9Confident93 Ų93107 Ų10741%0.40858%0.584SS.*Hα-helixtrans-61.5-24.9177.666.5-90.6000113.6M42 D53 T54 Y60M42-F56 HydrophobicContact CE-CE1 3.45Å; M42-F56 VanDerWaalsContact CE-CE1 3.45Å; M42-F56 HydrophobicContact CE-CZ 3.5Å; M42-F56 VanDerWaalsContact CE-CZ 3.5Å; M42-F56 HydrophobicContact SD-CZ 4.33Å; D53-F56 VanDerWaalsContact O-CE1 3.25Å; D53-F56 WeakPolarHBondContact O-CE1 3.25Å; T54-F56 PolarHBondContact O-N 2.97Å; F56-Y60 WeakPolarHBondContact O-CD2 3.45Å
57L76.6Confident71.1Confident39 Ų3997.2 Ų97.220%0.20457%0.566CS.*Hα-helixtrans-83-22.8-178.3-62.3169.3000113.5M42 T54 S55 N59 Y60 G61 F81M42-L57 HydrophobicContact CE-CD1 3.94Å; T54-L57 WeakPolarHBondContact O-CB 3.1Å; T54-L57 PolarHBondContact O-N 3.32Å; S55-L57 PolarHBondContact O-N 3.17Å; S55-L57 VanDerWaalsContact O-N 3.15Å; L57-N59 PolarHBondContact O-N 3.27Å; L57-Y60 PolarHBondContact O-N 3.15Å; L57-Y60 VanDerWaalsContact O-N 3.17Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-F81 HydrophobicContact CD1-CD2 4.35Å; L57-F81 HydrophobicContact CD1-CE2 3.15Å; L57-F81 HydrophobicContact CD1-CZ 3.33Å; L57-F81 HydrophobicContact CD2-CZ 4.33Å; L57-F81 HydrophobicContact CG-CZ 4.43Å
58S71.8Confident69.2Low88 Ų8899.1 Ų99.162%0.61557%0.569SS**Hα-helixtrans-61.4-32.8179.865.80000111S55S55-S58 PolarHBondContact O-N 2.94Å; S55-S58 PolarHBondContact O-OG 2.98Å
59N71.3Confident67.7Low137 Ų137103.9 Ų103.973%0.73360%0.597SS**THydrogen-bonded Turntrans-78-17-179.1-63.4-26000113.8L57L57-N59 PolarHBondContact O-N 3.27Å
60Y67.3Low65.6Low192 Ų192105.1 Ų105.175%0.75360%0.604SS**THydrogen-bonded Turntrans-108.410178.7-61.5-81000113.1F56 L57 G62F56-Y60 WeakPolarHBondContact O-CD2 3.45Å; L57-Y60 PolarHBondContact O-N 3.15Å; L57-Y60 VanDerWaalsContact O-N 3.17Å; Y60-G62 VanDerWaalsContact C-N 3.27Å; Y60-G62 PolarHBondContact O-N 2.95Å
61G60.7Low63.6Low64 Ų64109.4 Ų109.466%0.6664%0.635SS**  trans-6686.7170.300000110.2L57L57-G61 PolarHBondContact O-N 2.98Å
62G54.7Low61.6Low60 Ų60106.8 Ų106.862%0.61964%0.638SS**  trans-46.6152.4-167.100000116Y60 R64Y60-G62 VanDerWaalsContact C-N 3.27Å; Y60-G62 PolarHBondContact O-N 2.95Å; G62-R64 PolarHBondContact O-N 2.81Å; G62-R64 VanDerWaalsContact O-N 3.09Å
63I52.4Low59.4Low174 Ų174110 Ų11089%0.89265%0.654SS**  trans-26.9112.8163.2-79.1146.1000110.5E65I63-E65 PolarHBondContact O-N 3.49Å; I63-E65 VanDerWaalsContact O-N 3.13Å
64R51Low57.2Low210 Ų210111.1 Ų111.179%0.79267%0.668SS**  trans-65.9109.5169-73.2-174.3160.8-143-8.4107.3G62G62-R64 PolarHBondContact O-N 2.81Å; G62-R64 VanDerWaalsContact O-N 3.09Å
65E54Low55.4Low160 Ų160113.3 Ų113.375%0.74869%0.685SS**  trans-69.1124.1161.9-146.6-91.9158.200106.9I63 G67I63-E65 PolarHBondContact O-N 3.49Å; I63-E65 VanDerWaalsContact O-N 3.13Å; E65-G67 PolarHBondContact O-N 2.94Å
66P44.9Very low54.2Low125 Ų125120.2 Ų120.281%0.81271%0.707SS**SBendtrans-80.285.8-171.331.8-32.6000109.7
67G45.4Very low53Low60 Ų60119 Ų11962%0.61971%0.711SS**  trans-169.78.1-176.600000119.9E65E65-G67 PolarHBondContact O-N 2.94Å
68S42.9Very low51.9Low109 Ų109121.2 Ų121.276%0.76273%0.726SS**  trans-124.7104.1179-168.50000112.4D70S68-D70 PolarHBondContact O-N 3.09Å
69P50.7Low51.2Low114 Ų114119.8 Ų119.874%0.7472%0.724SS**  trans-93.673.5-179.636.1-28.9000109.5
70D40.4Very low50.7Low146 Ų146119.5 Ų119.578%0.78172%0.717SS**  trans-163.376.6168.7-85.3-35.3000109.9S68S68-D70 PolarHBondContact O-N 3.09Å
71S43.3Very low50.4Low126 Ų126111.8 Ų111.888%0.88169%0.688SS**  trans-176.584.4153.4-80.40000110
72S41.8Very low50.2Low111 Ų111110.6 Ų110.678%0.77667%0.667SS**  trans-64.8127.916448.90000111
73S45Very low50.4Low108 Ų108116.6 Ų116.676%0.75567%0.671SS**SBendtrans49.998.3157.7730000119.2
74S43.1Very low50.4Low108 Ų108111.7 Ų111.776%0.75565%0.65SS**SBend164.6131.1112.752.40000110.5
75S45.3Very low50.5Low91 Ų91107.9 Ų107.964%0.63664%0.639SS**  trans64.992.8160.7-46.60000117.4S77S75-S77 PolarHBondContact O-N 3.14Å
76K55Low50.6Low209 Ų209106.9 Ų106.991%0.90963%0.629SS**THydrogen-bonded Turntrans-66.322.2-172.3-65.3177.5177173.70117.6
77S54.8Low51Low69 Ų69107.4 Ų107.448%0.48362%0.62SS.*THydrogen-bonded Turntrans-122.2-9.8177.160.10000114.9S75 G79S75-S77 PolarHBondContact O-N 3.14Å; S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.07Å
78T54.9Low51.4Low85 Ų85110.3 Ų110.352%0.52163%0.625SS.*THydrogen-bonded Turntrans-79.7-6.1-169.5-62.70000115.1T82T78-T82 HydrophobicContact CG2-CG2 4.01Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-OG1 2.89Å
79G56Low51.8Low57 Ų57116 Ų11659%0.58863%0.63SS**THydrogen-bonded Turntrans-82.7-22.4-169.200000116.7S77S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.07Å
80F61.6Low51.8Low132 Ų132119 Ų11958%0.57963%0.627SS**THydrogen-bonded Turntrans-82.4-50.7-172.3-172.5-101.6000112.6
81F60.5Low52.1Low30 Ų30118.8 Ų118.813%0.13263%0.631CS.*Hα-helixtrans-78.9-28.7-174-60.3-69.5000114M42 V44 V50 L57 R83 F85M42-F81 HydrophobicContact CE-CZ 4.44Å; M42-F81 HydrophobicContact SD-CE2 3.93Å; M42-F81 HydrophobicContact SD-CZ 3.66Å; V44-F81 HydrophobicContact CG2-CD1 4.29Å; V44-F81 HydrophobicContact CG2-CE1 4.28Å; V50-F81 HydrophobicContact CB-CD2 4.47Å; V50-F81 HydrophobicContact CG1-CD2 4.42Å; V50-F81 HydrophobicContact CG1-CE2 4.19Å; V50-F81 HydrophobicContact CG2-CB 3.97Å; V50-F81 HydrophobicContact CG2-CD2 3.57Å; V50-F81 HydrophobicContact CG2-CE2 4.15Å; V50-F81 HydrophobicContact CG2-CG 3.88Å; L57-F81 HydrophobicContact CD1-CD2 4.35Å; L57-F81 HydrophobicContact CD1-CE2 3.15Å; L57-F81 HydrophobicContact CD1-CZ 3.33Å; L57-F81 HydrophobicContact CD2-CZ 4.33Å; L57-F81 HydrophobicContact CG-CZ 4.43Å; F81-R83 PolarHBondContact O-N 2.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.4Å
82T57.2Low52Low38 Ų38118.2 Ų118.223%0.23363%0.627CS.*Hα-helixtrans-73.5-18.3-178.757.70000112.7T78 R86T78-T82 HydrophobicContact CG2-CG2 4.01Å; T78-T82 WeakPolarHBondContact O-CG2 3.31Å; T78-T82 PolarHBondContact O-OG1 2.89Å; T82-R86 WeakPolarHBondContact O-CD 3.2Å; T82-R86 VanDerWaalsContact O-CG 3.22Å; T82-R86 WeakPolarHBondContact O-CG 3.36Å; T82-R86 PolarHBondContact O-NE 3.19Å
83R57.8Low52.2Low186 Ų186118.8 Ų118.870%0.70263%0.625SS**Hα-helixtrans-90-39.7-177.1-170.3162.1179.7-123.40.6113.3F81 F85F81-R83 PolarHBondContact O-N 2.78Å; R83-F85 PolarHBondContact O-N 3.24Å
84T51.8Low52.2Low72 Ų72120 Ų12044%0.44263%0.63SS.*Hα-helixtrans-72.7-28.4-172.353.60000113.8
85F54.7Low52.3Low129 Ų129125.6 Ų125.657%0.56664%0.635SS**THydrogen-bonded Turntrans-93.7-7.6-178.1-64.3-74.1000115V44 F81 R83 H87V44-F85 HydrophobicContact CG1-CE2 4.44Å; F81-F85 WeakPolarHBondContact O-CD2 3.4Å; R83-F85 PolarHBondContact O-N 3.24Å; F85-H87 VanDerWaalsContact C-N 3.28Å; F85-H87 PolarHBondContact O-N 3.14Å
86R56.4Low52.3Low140 Ų140126.8 Ų126.853%0.52864%0.64SS.*THydrogen-bonded Turntrans-76.9-13.3177.7-71.7177.9-172.4-107.31.6113.7T82T82-R86 WeakPolarHBondContact O-CD 3.2Å; T82-R86 VanDerWaalsContact O-CG 3.22Å; T82-R86 WeakPolarHBondContact O-CG 3.36Å; T82-R86 PolarHBondContact O-NE 3.19Å
87H51.7Low52.1Low136 Ų136128.7 Ų128.763%0.6364%0.642SS**THydrogen-bonded Turntrans-90.3-9.5-178.6-63.3-34000114F85 R89F85-H87 VanDerWaalsContact C-N 3.28Å; F85-H87 PolarHBondContact O-N 3.14Å; H87-R89 VanDerWaalsContact C-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å
88V53.8Low51.3Low120 Ų120131 Ų13173%0.72766%0.658SS**THydrogen-bonded Turntrans-82.6-7.2179.4-175.60000112.8
89R52.7Low51Low228 Ų228130.8 Ų130.886%0.8667%0.672SS**THydrogen-bonded Turntrans-136.139.1177.9-69-169.4173.5-165.2-2.8114.8H87H87-R89 VanDerWaalsContact C-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å
90R50.9Low50.5Low179 Ų179133.4 Ų133.468%0.67568%0.681SS**  trans-121.960169.6-72-168.8168.9129-8.6112.4
91T46.8Very low50.1Low141 Ų141137.9 Ų137.987%0.86569%0.694SS**  trans-128.777.3154.152.20000108.7
92S40.4Very low49.8Very low114 Ų114143.4 Ų143.480%0.79773%0.725SS**  trans-151.9108.4147.343.80000109.6
93V45Very low49.6Very low122 Ų122150.1 Ų150.174%0.73976%0.759SS**  trans-36.7141163.6173.60000111.8R95V93-R95 PolarHBondContact O-N 2.62Å; V93-R95 VanDerWaalsContact O-N 3.14Å
94P46.3Very low49.5Very low133 Ų133146.5 Ų146.586%0.86476%0.762SS**  trans-70.5107.8166.328.7-28.7000108.5
95R44.2Very low49.7Very low227 Ų227148 Ų14886%0.85778%0.776SS**  trans-120.3135.5169.6-161.8168.5-175.5163.11.8109V93V93-R95 PolarHBondContact O-N 2.62Å; V93-R95 VanDerWaalsContact O-N 3.14Å
96P44.8Very low50Low115 Ų115147.4 Ų147.475%0.74779%0.785SS**  trans-73.1156.2-165.230.4-35.2000111.7S98P96-S98 PolarHBondContact O-N 2.91Å
97R51.4Low50.3Low250 Ų250145.8 Ų145.894%0.94379%0.792SS**  trans-21113.5165.1-82.9173.9152.185-2.2113.4
98S37.9Very low51Low118 Ų118143.7 Ų143.783%0.82579%0.791SS**  trans-153.2120.5151.5-168.10000108.5P96P96-S98 PolarHBondContact O-N 2.91Å
99G49.5Very low51.2Low79 Ų79146.2 Ų146.281%0.81480%0.8SS**  trans-67.9143.6-177.800000112.6
100S44.3Very low51.8Low112 Ų112141.7 Ų141.778%0.78379%0.792SS**  trans-160.2107.6144.9-163.70000106.6
101R54.1Low52.2Low226 Ų226137.2 Ų137.285%0.85379%0.788SS**  trans-64.5161.7151-68.7-158.9-81.5-142.90.9107.2
102D54.3Low52.8Low146 Ų146136 Ų13678%0.78178%0.783SS**  trans94.343170.2-56.6-14.9000120.1
103L53.6Low53.8Low180 Ų180138 Ų13894%0.94278%0.782SS**  trans-141.232.1157.2-67.1178.5000114.3
104S54.3Low54.4Low110 Ų110137 Ų13777%0.76977%0.772SS**SBendtrans-98.6116.7161.860.50000108.7
105S56.2Low55.3Low103 Ų103139.9 Ų139.972%0.7277%0.771SS**PPolyproline II helixtrans-50.4140.1168.152.30000109.8
106P60.8Low55.9Low116 Ų116136.3 Ų136.375%0.75377%0.769SS**PPolyproline II helixtrans-55.1136.6176.322.7-31.5000109.3
107P63.1Low56.7Low107 Ų107133.7 Ų133.770%0.69576%0.757SS**PPolyproline II helixtrans-59.5144.9178.625.4-32.6000109.4D109P107-D109 PolarHBondContact O-N 2.74Å
108P66.3Low57.2Low91 Ų91129.5 Ų129.559%0.59175%0.752SS**PPolyproline II helixtrans-58.7137.217824.4-33.1000110.3I110P108-I110 PolarHBondContact O-N 2.77Å
109D58.9Low58.1Low173 Ų173129.2 Ų129.293%0.92575%0.749SS**SBendtrans-56.2-20-177.1-67.6-26.8000113.5P107P107-D109 PolarHBondContact O-N 2.74Å
110I64.1Low58.8Low134 Ų134132.6 Ų132.669%0.68775%0.748SS**SBendtrans-123.3117.8177.4-58.3166.6000108.2P108 P112P108-I110 PolarHBondContact O-N 2.77Å; I110-P112 WeakPolarHBondContact O-CD 3.4Å
111S60Low59.6Low84 Ų84132.5 Ų132.559%0.58775%0.745SS**  trans-63.5122.3179.6-74.70000111.2I113S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.09Å
112P58.3Low59.7Low117 Ų117129.8 Ų129.876%0.7674%0.742SS**THydrogen-bonded Turntrans-69.9-7.3-176.924.9-32.2000114.2I110I110-P112 WeakPolarHBondContact O-CD 3.4Å
113I61.5Low59.9Low154 Ų154128.7 Ų128.779%0.7974%0.735SS**THydrogen-bonded Turntrans-94.7-20.1-173.3-58.9175.4000111.9S111S111-I113 PolarHBondContact O-N 2.95Å; S111-I113 VanDerWaalsContact O-N 3.09Å
114I58.6Low59.9Low101 Ų101126.2 Ų126.252%0.51872%0.723SS.*  trans-151.989.7-179.6-33171.1000110.2N116 A117I114-N116 PolarHBondContact O-N 2.77Å; I114-A117 HydrophobicContact CB-CB 3.76Å; I114-A117 HydrophobicContact CD1-CB 4.23Å; I114-A117 HydrophobicContact CG2-CB 3.85Å; I114-A117 PolarHBondContact O-N 3.07Å; I114-A117 VanDerWaalsContact O-N 3.14Å
115K64.6Low60.1Low194 Ų194126.7 Ų126.784%0.84372%0.715SS**THydrogen-bonded Turntrans-63.2-11174.7-172.9172.6168.8178.10113.5
116N56.5Low60.1Low152 Ų152128.7 Ų128.781%0.81372%0.718SS**THydrogen-bonded Turntrans-107.12.9178.5-65.2-19.1000113.9I114 I118I114-N116 PolarHBondContact O-N 2.77Å; N116-I118 PolarHBondContact O-N 3.13Å
117A62.4Low59.6Low60 Ų60127.5 Ų127.550%0.49671%0.713SS.*  trans-80.5108.8172.800000108.6I114 S119I114-A117 HydrophobicContact CB-CB 3.76Å; I114-A117 HydrophobicContact CD1-CB 4.23Å; I114-A117 HydrophobicContact CG2-CB 3.85Å; I114-A117 PolarHBondContact O-N 3.07Å; I114-A117 VanDerWaalsContact O-N 3.14Å; A117-S119 PolarHBondContact O-N 3.3Å; A117-S119 VanDerWaalsContact O-N 3.13Å
118I62Low59.3Low163 Ų163129.4 Ų129.484%0.83672%0.722SS**  trans-58.3111.9162.931.2170.2000108.1N116 L120N116-I118 PolarHBondContact O-N 3.13Å; I118-L120 PolarHBondContact O-N 3.04Å
119S57.1Low58.8Low111 Ų111131.4 Ų131.478%0.77673%0.728SS**PPolyproline II helixtrans-63.1123.7173.353.50000108.7A117A117-S119 PolarHBondContact O-N 3.3Å; A117-S119 VanDerWaalsContact O-N 3.13Å
120L64.4Low58.6Low150 Ų150126.9 Ų126.979%0.78572%0.722SS**PPolyproline II helixtrans-59.4145.2169.9-65.4174.5000109.2I118 Q122I118-L120 PolarHBondContact O-N 3.04Å; L120-Q122 PolarHBondContact O-N 3.12Å
121P61.2Low57.7Low111 Ų111126.1 Ų126.172%0.72173%0.727SS**PPolyproline II helixtrans-55.2125.7174.622.2-31.4000109.1L123P121-L123 PolarHBondContact O-N 3.49Å
122Q56Low57.3Low169 Ų169127.8 Ų127.879%0.7973%0.729SS**PPolyproline II helixtrans-62.8118.3-179.9-65.8-179.623.300108.7L120 N124L120-Q122 PolarHBondContact O-N 3.12Å; Q122-N124 PolarHBondContact O-N 3.2Å
123L58.5Low56.9Low122 Ų122130.7 Ų130.764%0.63973%0.733SS**  trans-85.298.5170.2-64.6178.2000107.5P121 I125P121-L123 PolarHBondContact O-N 3.49Å; L123-I125 PolarHBondContact O-N 3.35Å
124N53.8Low56.4Low128 Ų128134 Ų13468%0.68474%0.735SS**  trans-68.3111.8171.7-66.6-28.7000108.5Q122 D126Q122-N124 PolarHBondContact O-N 3.2Å; N124-D126 PolarHBondContact O-N 3.17Å
125I58.4Low55.9Low120 Ų120133 Ų13362%0.61574%0.742SS**  trans-100.769.5172.6-55.3161.3000107L123 L132L123-I125 PolarHBondContact O-N 3.35Å; I125-L132 HydrophobicContact CD1-CD2 4.41Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å
126D55.9Low55.1Low146 Ų146131.3 Ų131.378%0.78174%0.741SS**  trans-118.183.2171.3-72.7-31.1000108.5N124N124-D126 PolarHBondContact O-N 3.17Å
127S50.2Low54.4Low91 Ų91132.5 Ų132.564%0.63674%0.739SS**SBendtrans-157.8133.5154.5-83.70000108.6N129S127-N129 CarbonylContact O-C 3.54Å; S127-N129 PolarHBondContact O-N 3.17Å
128V55.8Low53.4Low147 Ų147135.6 Ų135.689%0.89175%0.754SS**SBendtrans-55.9-0.9-179.6-73.50000115.1
129N57.6Low51.9Low132 Ų132135 Ų13571%0.70675%0.752SS**SBendtrans-132.298.7173.8-49.9-46.8000107.1S127 C131S127-N129 CarbonylContact O-C 3.54Å; S127-N129 PolarHBondContact O-N 3.17Å; N129-C131 PolarHBondContact O-N 3.3Å
130G53Low50.9Low79 Ų79135.4 Ų135.481%0.81476%0.756SS**  trans-62.477.6-165.700000116.8
131C46.4Very low49.8Very low117 Ų117137.1 Ų137.179%0.79176%0.762SS**  trans-110.4124.7169.6-1670000110.1N129 Q133N129-C131 PolarHBondContact O-N 3.3Å; C131-Q133 PolarHBondContact O-N 3.03Å
132L52.2Low48.4Very low119 Ų119135.4 Ų135.462%0.62377%0.765SS**  trans-71.4120.4176.8-66.4172.3000109.7I125 R134I125-L132 HydrophobicContact CD1-CD2 4.41Å; I125-L132 HydrophobicContact CG1-CD2 4.14Å; L132-R134 PolarHBondContact O-N 3.44Å
133Q48.3Very low47.3Very low179 Ų179133.2 Ų133.284%0.83677%0.768SS**  trans-67.1100.8172-168.11735.900108.9C131 A135C131-Q133 PolarHBondContact O-N 3.03Å; Q133-A135 PolarHBondContact O-N 3.38Å
134R51.8Low46.4Very low224 Ų224131.3 Ų131.385%0.84577%0.769SS**  trans-66.2100173.5-163.5-174.6-129.4152.20.7108L132 L136L132-R134 PolarHBondContact O-N 3.44Å; R134-L136 PolarHBondContact O-N 2.8Å; R134-L136 VanDerWaalsContact O-N 3.11Å
135A48.5Very low45.7Very low79 Ų79132.8 Ų132.865%0.65378%0.777SS**  trans-61.5112.8171.400000108.7Q133 F137Q133-A135 PolarHBondContact O-N 3.38Å; A135-F137 PolarHBondContact O-N 3.04Å
136L46.5Very low44.9Very low158 Ų158133.4 Ų133.483%0.82778%0.782SS**  trans-71116174.1-67168.4000108.2R134R134-L136 PolarHBondContact O-N 2.8Å; R134-L136 VanDerWaalsContact O-N 3.11Å
137F42.5Very low44Very low178 Ų178131.8 Ų131.878%0.78178%0.782SS**  trans-72140.3163.6-66.3-78.6000109A135 N139A135-F137 PolarHBondContact O-N 3.04Å; F137-N139 PolarHBondContact O-N 3.27Å; F137-N139 VanDerWaalsContact O-N 3.13Å
138P40.4Very low43.7Very low124 Ų124136 Ų13681%0.80579%0.789SS**  trans-73.4104.3171.428.3-29.7000109.3S140P138-S140 PolarHBondContact O-N 3.21Å; P138-S140 VanDerWaalsContact O-N 3.17Å
139N31.3Very low42.7Very low150 Ų150134.8 Ų134.880%0.80279%0.786SS**  trans-75.297164.8-59.4-10.2000107.4F137 M141F137-N139 PolarHBondContact O-N 3.27Å; F137-N139 VanDerWaalsContact O-N 3.13Å; N139-M141 PolarHBondContact O-N 2.77Å
140S36.7Very low41.5Very low121 Ų121132.9 Ų132.985%0.84678%0.779SS**  trans-84.896.5171.6-145.20000108.9P138P138-S140 PolarHBondContact O-N 3.21Å; P138-S140 VanDerWaalsContact O-N 3.17Å
141M40.5Very low40.9Very low186 Ų186138.7 Ų138.792%0.91678%0.778SS**  trans-83.5130.9159.5-69.8-169.468.900109N139N139-M141 PolarHBondContact O-N 2.77Å
142G32Very low40.5Very low75 Ų75137 Ų13777%0.77378%0.78SS**  trans147138.4175.900000107.8
143S33.4Very low40.4Very low123 Ų123137.5 Ų137.586%0.8679%0.788SS**  cis-165.8160.43.8172.10000104.5
144A39.4Very low40.4Very low81 Ų81138.1 Ų138.167%0.66979%0.79SS**  trans-61.6162.3-178.700000114.7
145D39.1Very low40Very low159 Ų159132.8 Ų132.885%0.8579%0.788SS**  trans83.2118.1159.3-62.5-28.7000120.7
146D41.1Very low40.1Very low133 Ų133132.3 Ų132.371%0.71179%0.791SS**  trans51.8103.8139-151.719.7000119
147S37Very low40Very low112 Ų112133.9 Ų133.978%0.78379%0.791SS**  trans-160.4110.213947.90000111.4
148F43.2Very low40Very low181 Ų181133 Ų13379%0.79479%0.794SS**  trans-62.6154.7155.2-65.3-93.2000109.9
149C35.6Very low40Very low120 Ų120134 Ų13481%0.81180%0.798SS**  trans105.9130.9176.4-620000112.6
150T31.6Very low40.7Very low93 Ų93133.4 Ų133.457%0.57179%0.794SS**  cis-164.2144.73.2-72.50000106.1G152T150-G152 PolarHBondContact O-N 3.39Å
151Y41.8Very low41Very low201 Ų201133.3 Ų133.379%0.78879%0.79SS**  trans-46.4104.5171.943-86.8000112.6V153Y151-V153 PolarHBondContact O-N 2.98Å
152G36.8Very low40.8Very low80 Ų80135.6 Ų135.683%0.82579%0.789SS**  trans-93.979.9168.900000110.6T150 Q154T150-G152 PolarHBondContact O-N 3.39Å; G152-Q154 PolarHBondContact O-N 3.11Å; G152-Q154 VanDerWaalsContact O-N 3.12Å
153V50Low41.2Very low131 Ų131138.7 Ų138.779%0.79479%0.792SS**  trans-77.684.9174.5-170.20000108.9Y151Y151-V153 PolarHBondContact O-N 2.98Å
154Q48.5Very low41.3Very low191 Ų191138 Ų13889%0.89379%0.787SS**  trans-161.762.6160-153141.526.400114.2G152G152-Q154 PolarHBondContact O-N 3.11Å; G152-Q154 VanDerWaalsContact O-N 3.12Å
155S43.8Very low41.6Very low113 Ų113145.2 Ų145.279%0.7980%0.797SS**  trans-162.9104.7152.5-167.50000109.7F157S155-F157 PolarHBondContact O-N 3Å
156G50.9Low41.6Very low69 Ų69145.6 Ų145.671%0.71180%0.798SS**  trans-81.569.6-171.700000113.7
157F44.3Very low41.6Very low190 Ų190148 Ų14883%0.83381%0.806SS**  trans-152.489.9162.7-71.1-74.1000111.7S155S155-F157 PolarHBondContact O-N 3Å
158L41.7Very low41.9Very low161 Ų161153.2 Ų153.284%0.84381%0.808SS**  trans-145.192.3156.4-69.2179.6000107.9L160L158-L160 PolarHBondContact O-N 3.37Å
159T41.3Very low41.8Very low145 Ų145153.2 Ų153.289%0.8981%0.81SS**  trans-91.481.3163.636.30000108.8
160L46.1Very low41.8Very low136 Ų136154.8 Ų154.871%0.71281%0.809SS**  trans-69.2150.9153.6-67.7172.4000108.7L158 R162L158-L160 PolarHBondContact O-N 3.37Å; L160-R162 PolarHBondContact O-N 3.13Å
161P41.8Very low42Very low120 Ų120158.6 Ų158.678%0.77982%0.821SS**  trans-56.6114176.5-19.830.6000110.1V163P161-V163 PolarHBondContact O-N 3.17Å; P161-V163 VanDerWaalsContact O-N 3.12Å
162R38.3Very low41.5Very low234 Ų234156.6 Ų156.688%0.88382%0.823SS**  trans-71.9104.8171.2-80.5-170.4168.3127.6-0.6108.1L160 S164L160-R162 PolarHBondContact O-N 3.13Å; R162-S164 PolarHBondContact O-N 3.12Å
163V38.7Very low41.3Very low139 Ų139155.5 Ų155.584%0.84281%0.812SS**  trans-58.7121.6157.8-169.20000106.8P161 R165P161-V163 PolarHBondContact O-N 3.17Å; P161-V163 VanDerWaalsContact O-N 3.12Å; V163-R165 PolarHBondContact O-N 3.02Å
164S36.5Very low40.4Very low109 Ų109156.4 Ų156.476%0.76281%0.813SS**  trans-52.9118.5-176.8-46.90000110.9R162 L166R162-S164 PolarHBondContact O-N 3.12Å; S164-L166 PolarHBondContact O-N 3.43Å
165R45.3Very low40.1Very low233 Ų233152.8 Ų152.888%0.87980%0.803SS**  trans-83.657.7-179.8-153.5-172.5-161.7-156.55.5110.9V163V163-R165 PolarHBondContact O-N 3.02Å
166L39.8Very low39.5Very low166 Ų166158.9 Ų158.987%0.86981%0.809SS**  trans-11353.3170.5-162.876.2000110.6S164S164-L166 PolarHBondContact O-N 3.43Å
167E41.4Very low38.8Very low185 Ų185166.7 Ų166.786%0.86482%0.817SS**  trans-152.966.8162.7-166.5150-171.200109.5
168R41.8Very low38Very low221 Ų221164.3 Ų164.383%0.83482%0.818SS**  trans-155.273.5157-153.2177.8-57-93.3-6.7109.8
169Q41.3Very low37.5Very low181 Ų181161.8 Ų161.885%0.84681%0.814SS**  trans-149.6133.8155.4-165.8171.4-53.700104.7
170I35.4Very low37.7Very low152 Ų152161 Ų16178%0.77981%0.811SS**  trans93.5109-163.6-51.9156.5000109.5
171Q36.3Very low37.1Very low174 Ų174159.4 Ų159.481%0.81382%0.818SS**  cis-140.4155.516.7-66.8-75.826.800111.6
172D32Very low36.9Very low158 Ų158161 Ų16185%0.84582%0.82SS**  trans-87.9147.1162.7-17619.5000109.8
173G32.7Very low36.8Very low58 Ų58157.7 Ų157.760%0.59882%0.82SS**  trans64.7148175.100000115.6
174D31.7Very low36.9Very low150 Ų150155 Ų15580%0.80282%0.82SS**  cis-171.1147.71442.8-5.1000109.9
175V40.8Very low37Very low114 Ų114155.6 Ų155.669%0.69182%0.823SS**  trans-2.8122.1156.6175.60000117.3
176W31.1Very low36.7Very low241 Ų241147.5 Ų147.591%0.91381%0.812SS**  -158.3124.2122.9-73105.3000111.3
177R35.8Very low36.9Very low234 Ų234144.5 Ų144.588%0.88381%0.811SS**  trans-83.7131.6167.1-83-120.5-74.5-130.80109.9
178T28.6Very low37.1Very low140 Ų140143.5 Ų143.586%0.85981%0.811SS**  trans-162115.7144.422.20000109.6
179S32.1Very low37.3Very low108 Ų108138.8 Ų138.876%0.75581%0.807SS**  trans-94.7-177.7158.9-43.50000108.1
180P44.7Very low37.5Very low127 Ų127141.4 Ų141.483%0.82581%0.809SS**  cis-123.8157.7-47.229.7-12.6000110.6
181A32.8Very low38.1Very low103 Ų103139.3 Ų139.385%0.85181%0.808SS**  trans-131.9121.6160.800000109.5
182D37.8Very low38.7Very low154 Ų154138 Ų13882%0.82481%0.807SS**  trans-54.3127.1-179.1-147.6-5.5000111.6
183N37.1Very low39.6Very low164 Ų164134.5 Ų134.588%0.87780%0.795SS**  trans-169.7101.1147.4-100.4-11.3000108.4C185N183-C185 PolarHBondContact O-N 3.37Å
184G40.1Very low40.7Very low82 Ų82140.4 Ų140.485%0.84581%0.811SS**  trans-60121.117600000111.9
185C37.8Very low41.9Very low123 Ų123136.9 Ų136.983%0.83180%0.803SS**  trans-148.6119.8146.8-167.40000106.1N183 A187N183-C185 PolarHBondContact O-N 3.37Å; C185-A187 PolarHBondContact O-N 3.09Å
186G39.4Very low42.6Very low63 Ų63136.4 Ų136.465%0.64981%0.805SS**  trans-47.4132.1-168.100000112.1L188G186-L188 PolarHBondContact O-N 3.06Å
187A43.8Very low44.3Very low103 Ų103132.8 Ų132.885%0.85180%0.796SS**  trans-55.994.4161.600000107.1C185 T189C185-A187 PolarHBondContact O-N 3.09Å; A187-T189 VanDerWaalsContact C-N 3.32Å; A187-T189 PolarHBondContact O-N 3.38Å
188L46.4Very low45.9Very low163 Ų163128.1 Ų128.185%0.85379%0.793SS**  trans-61.1104171.2-70.9175000105.5G186 R190G186-L188 PolarHBondContact O-N 3.06Å; L188-R190 PolarHBondContact O-N 2.98Å; L188-R190 VanDerWaalsContact O-N 3.08Å
189T44.7Very low48.2Very low123 Ų123125.7 Ų125.776%0.75578%0.778SS**  trans-39.2116.6165.149.80000107.6A187 S191A187-T189 VanDerWaalsContact C-N 3.32Å; A187-T189 PolarHBondContact O-N 3.38Å; T189-S191 PolarHBondContact O-N 2.95Å
190R46.2Very low50.5Low235 Ų235127.6 Ų127.689%0.88778%0.78SS**  trans-45.3112.5175.7-82.1173.984.1-173.77.6107.1L188 D192L188-R190 PolarHBondContact O-N 2.98Å; L188-R190 VanDerWaalsContact O-N 3.08Å; R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 2.65Å
191S47.9Very low52.1Low109 Ų109124.8 Ų124.876%0.76276%0.758SS**  trans-65100.8165.7-48.70000106T189 S193T189-S191 PolarHBondContact O-N 2.95Å; S191-S193 PolarHBondContact O-N 3.35Å
192D50.1Low54.7Low146 Ų146121.3 Ų121.378%0.78173%0.731SS**  trans-65.968.4166.840.5-40.9000108.9R190 L194R190-D192 VanDerWaalsContact C-N 3.3Å; R190-D192 PolarHBondContact O-N 2.65Å; D192-L194 PolarHBondContact O-N 3.37Å; D192-L194 VanDerWaalsContact O-N 3.12Å
193S49.6Very low56.9Low85 Ų85119.4 Ų119.459%0.59473%0.727SS**  trans-68.9105.5171-152.80000107.3S191 A195 S196S191-S193 PolarHBondContact O-N 3.35Å; S193-A195 PolarHBondContact O-N 3.28Å; S193-S196 PolarHBondContact O-N 2.86Å
194L56.5Low59.2Low181 Ų181116.5 Ų116.595%0.94872%0.72SS**THydrogen-bonded Turntrans-62.911.4177.9-64.1174.7000114.1D192D192-L194 PolarHBondContact O-N 3.37Å; D192-L194 VanDerWaalsContact O-N 3.12Å
195A57.6Low61.3Low76 Ų76117 Ų11763%0.62870%0.703SS**THydrogen-bonded Turntrans-111.32.5179.600000113.8S193 F197S193-A195 PolarHBondContact O-N 3.28Å; A195-F197 WeakPolarHBondContact O-CD1 3.43Å; A195-F197 PolarHBondContact O-N 3.37Å
196S55.2Low63.9Low104 Ų104114.1 Ų114.173%0.72768%0.678SS**  trans-80.197.3174.2177.90000110.1S193S193-S196 PolarHBondContact O-N 2.86Å
197F66Low66.1Low166 Ų166115.6 Ų115.673%0.72867%0.674SS**  trans-99.9122.9168.562.5-81.9000108.6A195 V199A195-F197 WeakPolarHBondContact O-CD1 3.43Å; A195-F197 PolarHBondContact O-N 3.37Å; F197-V199 HydrophobicContact CD2-CG2 3.26Å; F197-V199 HydrophobicContact CE2-CG2 3.26Å; F197-V199 PolarHBondContact O-N 3.45Å
198T69.1Low68.3Low135 Ų135117 Ų11783%0.82866%0.663SS**  trans-82.3108.4169.852.90000107.6
199V77.3Confident70.4Confident89 Ų89111.9 Ų111.954%0.53964%0.639SS.*  trans-85.7110.4169.9-173.20000107.9F197 L201F197-V199 HydrophobicContact CD2-CG2 3.26Å; F197-V199 HydrophobicContact CE2-CG2 3.26Å; F197-V199 PolarHBondContact O-N 3.45Å; V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 3.87Å; V199-L201 PolarHBondContact O-N 3.32Å
200D80.4Confident72.4Confident149 Ų149110.3 Ų110.380%0.79763%0.625SS**  trans-84.799.2167-174.618.2000108.6G202D200-G202 PolarHBondContact O-N 2.93Å
201L78.8Confident74.4Confident68 Ų68101.5 Ų101.536%0.35660%0.603SS.*  trans-81.2103.7167.3-61.6178.3000105.6V199 L205 M206V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 3.87Å; V199-L201 PolarHBondContact O-N 3.32Å; L201-L205 HydrophobicContact CB-CB 4.3Å; L201-L205 HydrophobicContact CD2-CD1 4.23Å; L201-M206 HydrophobicContact CB-CG 3.75Å; L201-M206 HydrophobicContact CB-SD 3.77Å; L201-M206 HydrophobicContact CD1-SD 4.01Å; L201-M206 HydrophobicContact CG-SD 4.49Å; L201-M206 WeakPolarHBondContact O-CG 3.03Å
202G87.9Confident76.4Confident29 Ų2999.5 Ų99.530%0.29958%0.583SS.*  trans-56.5168.3179.200000112.8D200 S204 L205 M206D200-G202 PolarHBondContact O-N 2.93Å; G202-S204 PolarHBondContact O-N 2.96Å; G202-L205 PolarHBondContact O-N 3.48Å; G202-M206 PolarHBondContact O-N 3.32Å; G202-M206 VanDerWaalsContact O-N 3.09Å
203P82.9Confident78.2Confident114 Ų11498.1 Ų98.174%0.7458%0.575SS**Hα-helixtrans-51.7-35.3-169-27.533.2000115T207P203-T207 WeakPolarHBondContact O-CB 3Å; P203-T207 PolarHBondContact O-N 2.85Å; P203-T207 PolarHBondContact O-OG1 3.42Å
204S85.6Confident80Confident103 Ų103100.4 Ų100.472%0.7258%0.58SS**Hα-helixtrans-65.7-46.8179.3-65.90000113.5G202 T207 E208G202-S204 PolarHBondContact O-N 2.96Å; S204-T207 PolarHBondContact O-N 2.87Å; S204-E208 PolarHBondContact O-N 2.86Å
205L84.6Confident81.2Confident93 Ų9396.1 Ų96.149%0.48756%0.558SS.*Hα-helixtrans-73.8-34.3179.4-66.6177.4000110.9L201 G202 T207 E208 V209L201-L205 HydrophobicContact CB-CB 4.3Å; L201-L205 HydrophobicContact CD2-CD1 4.23Å; G202-L205 PolarHBondContact O-N 3.48Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 3.29Å; L205-E208 PolarHBondContact O-N 3.45Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.84Å
206M92.3Very high82Confident63 Ų6397.4 Ų97.431%0.3156%0.56SS.*Hα-helixtrans-65.3-35.2173.5-79.6-57.8-27.700112.5L201 G202 E208 V209 L210L201-M206 HydrophobicContact CB-CG 3.75Å; L201-M206 HydrophobicContact CB-SD 3.77Å; L201-M206 HydrophobicContact CD1-SD 4.01Å; L201-M206 HydrophobicContact CG-SD 4.49Å; L201-M206 WeakPolarHBondContact O-CG 3.03Å; G202-M206 PolarHBondContact O-N 3.32Å; G202-M206 VanDerWaalsContact O-N 3.09Å; M206-E208 VanDerWaalsContact C-N 3.34Å; M206-V209 HydrophobicContact CE-CB 4.2Å; M206-V209 HydrophobicContact CE-CG1 4.15Å; M206-V209 PolarHBondContact O-N 3.12Å; M206-L210 HydrophobicContact CE-CD1 4.27Å; M206-L210 HydrophobicContact CE-CD2 4.31Å; M206-L210 HydrophobicContact CE-CG 3.9Å; M206-L210 VanDerWaalsContact O-CB 3.29Å; M206-L210 WeakPolarHBondContact O-CB 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.27Å
207T86Confident82.4Confident93 Ų9395.9 Ų95.957%0.57155%0.549SS*.Hα-helixtrans-65.1-40.1176.2-54.30000111.3P203 S204 L205 A211P203-T207 WeakPolarHBondContact O-CB 3Å; P203-T207 PolarHBondContact O-N 2.85Å; P203-T207 PolarHBondContact O-OG1 3.42Å; S204-T207 PolarHBondContact O-N 2.87Å; L205-T207 VanDerWaalsContact C-N 3.29Å; L205-T207 PolarHBondContact O-N 3.29Å; T207-A211 WeakPolarHBondContact O-CB 3.19Å; T207-A211 PolarHBondContact O-N 3.19Å
208E88.4Confident82.1Confident132 Ų13291.5 Ų91.562%0.61754%0.54SS*.Hα-helixtrans-65.9-45.2175.4-174.7-179.6171.700111.9S204 L205 M206 L210 A211 L212S204-E208 PolarHBondContact O-N 2.86Å; L205-E208 PolarHBondContact O-N 3.45Å; M206-E208 VanDerWaalsContact C-N 3.34Å; E208-L210 PolarHBondContact O-N 3.19Å; E208-A211 PolarHBondContact O-N 3.09Å; E208-L212 WeakPolarHBondContact O-CB 3.15Å; E208-L212 PolarHBondContact O-N 3.42Å
209V91.3Very high81.4Confident57 Ų5791.1 Ų91.135%0.34553%0.532SS..Hα-helixtrans-62.2-43.5177.1170.40000111.1L205 M206 L212 I213L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 2.84Å; M206-V209 HydrophobicContact CE-CB 4.2Å; M206-V209 HydrophobicContact CE-CG1 4.15Å; M206-V209 PolarHBondContact O-N 3.12Å; V209-L212 PolarHBondContact O-N 3.05Å; V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CD1 3.29Å; V209-I213 VanDerWaalsContact O-CG1 3.24Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 PolarHBondContact O-N 3.27Å
210L87.5Confident80.1Confident89 Ų8994.8 Ų94.847%0.46654%0.543SS..Hα-helixtrans-67-42.1176.6-69.3170.3000111.4M206 E208 L212 I213 D214M206-L210 HydrophobicContact CE-CD1 4.27Å; M206-L210 HydrophobicContact CE-CD2 4.31Å; M206-L210 HydrophobicContact CE-CG 3.9Å; M206-L210 VanDerWaalsContact O-CB 3.29Å; M206-L210 WeakPolarHBondContact O-CB 3.31Å; M206-L210 WeakPolarHBondContact O-CG 3.37Å; M206-L210 PolarHBondContact O-N 3.27Å; E208-L210 PolarHBondContact O-N 3.19Å; L210-L212 VanDerWaalsContact C-N 3.26Å; L210-L212 PolarHBondContact O-N 2.85Å; L210-I213 PolarHBondContact O-N 3.14Å; L210-D214 WeakPolarHBondContact O-CB 3.46Å; L210-D214 VanDerWaalsContact O-CG 3.25Å; L210-D214 PolarHBondContact O-N 2.82Å
211A86.7Confident78.5Confident50 Ų5092.3 Ų92.341%0.41353%0.533SS..Hα-helixtrans-62-34.417500000112.5T207 E208 N215T207-A211 WeakPolarHBondContact O-CB 3.19Å; T207-A211 PolarHBondContact O-N 3.19Å; E208-A211 PolarHBondContact O-N 3.09Å; A211-N215 PolarHBondContact O-N 3.08Å
212L89.8Confident76.7Confident68 Ų6895 Ų9536%0.35656%0.558SS.*Hα-helixtrans-69.7-41.9174.9-178.367.1000112.1E208 V209 L210 D214 N215 P216 L219E208-L212 WeakPolarHBondContact O-CB 3.15Å; E208-L212 PolarHBondContact O-N 3.42Å; V209-L212 PolarHBondContact O-N 3.05Å; L210-L212 VanDerWaalsContact C-N 3.26Å; L210-L212 PolarHBondContact O-N 2.85Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-N215 CarbonylContact O-C 3.25Å; L212-N215 VanDerWaalsContact O-C 3.25Å; L212-N215 PolarHBondContact O-N 3.09Å; L212-P216 WeakPolarHBondContact O-CA 3.43Å; L212-P216 VanDerWaalsContact O-N 3.17Å; L212-L219 HydrophobicContact CD1-CD1 3.71Å; L212-L219 HydrophobicContact CD1-CG 3.92Å; L212-L219 HydrophobicContact CD2-CD1 4.41Å
213I88.6Confident74.5Confident117 Ų117100 Ų10060%0.658%0.577SS**Hα-helixtrans-64.4-41.8176-68.5163.3000110.3V209 L210 N215V209-I213 HydrophobicContact CG1-CD1 3.89Å; V209-I213 WeakPolarHBondContact O-CD1 3.29Å; V209-I213 VanDerWaalsContact O-CG1 3.24Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 PolarHBondContact O-N 3.27Å; L210-I213 PolarHBondContact O-N 3.14Å; I213-N215 VanDerWaalsContact C-N 3.34Å
214D86.6Confident72.3Confident132 Ų132103.3 Ų103.371%0.70658%0.583SS**Hα-helixtrans-73.6-26.7179.9-69.9-19.5000112.4L210 L212L210-D214 WeakPolarHBondContact O-CB 3.46Å; L210-D214 VanDerWaalsContact O-CG 3.25Å; L210-D214 PolarHBondContact O-N 2.82Å; L212-D214 VanDerWaalsContact C-N 3.33Å
215N82.8Confident69.8Low92 Ų92103 Ų10349%0.49258%0.581SS.*  trans-14580.6-178.7-139.1-22.8000112.4A211 L212 I213 S217 S218A211-N215 PolarHBondContact O-N 3.08Å; L212-N215 CarbonylContact O-C 3.25Å; L212-N215 VanDerWaalsContact O-C 3.25Å; L212-N215 PolarHBondContact O-N 3.09Å; I213-N215 VanDerWaalsContact C-N 3.34Å; N215-S217 PolarHBondContact O-N 2.87Å; N215-S217 VanDerWaalsContact O-N 3.08Å; N215-S217 PolarHBondContact OD1-OG 3.21Å; N215-S218 WeakPolarHBondContact O-CB 3.43Å; N215-S218 PolarHBondContact O-N 3Å; N215-S218 VanDerWaalsContact O-N 3.14Å; N215-S218 PolarHBondContact O-OG 3.41Å
216P73.5Confident67.6Low102 Ų102107.3 Ų107.366%0.66260%0.598SS**THydrogen-bonded Turntrans-70.2-7.2-173.528.2-36000113.9L212L212-P216 WeakPolarHBondContact O-CA 3.43Å; L212-P216 VanDerWaalsContact O-N 3.17Å
217S64.4Low64.7Low72 Ų72113 Ų11350%0.50362%0.624SS.*THydrogen-bonded Turntrans-85.3-8.6175.351.90000113.7N215 L219 Q220N215-S217 PolarHBondContact O-N 2.87Å; N215-S217 VanDerWaalsContact O-N 3.08Å; N215-S217 PolarHBondContact OD1-OG 3.21Å; S217-L219 PolarHBondContact O-N 3.35Å; S217-Q220 PolarHBondContact O-N 3.35Å; S217-Q220 VanDerWaalsContact O-N 3.09Å
218S59.2Low62.3Low75 Ų75114.5 Ų114.552%0.52463%0.633SS.*THydrogen-bonded Turntrans-69-16-178.859.90000114.2N215N215-S218 WeakPolarHBondContact O-CB 3.43Å; N215-S218 PolarHBondContact O-N 3Å; N215-S218 VanDerWaalsContact O-N 3.14Å; N215-S218 PolarHBondContact O-OG 3.41Å
219L54.9Low59.6Low127 Ų127111.1 Ų111.167%0.66563%0.633SS**THydrogen-bonded Turntrans-95.228.5169.3-72.5-178.2000113.2L212 S217 V221L212-L219 HydrophobicContact CD1-CD1 3.71Å; L212-L219 HydrophobicContact CD1-CG 3.92Å; L212-L219 HydrophobicContact CD2-CD1 4.41Å; S217-L219 PolarHBondContact O-N 3.35Å; L219-V221 PolarHBondContact O-N 2.91Å
220Q50.6Low57Low166 Ų166117.9 Ų117.978%0.77666%0.661SS**SBendtrans-72.381.1153.3-86.4-169.11500109.3S217 S222S217-Q220 PolarHBondContact O-N 3.35Å; S217-Q220 VanDerWaalsContact O-N 3.09Å; Q220-S222 PolarHBondContact O-N 2.78Å
221V46.6Very low54.6Low97 Ų97122.3 Ų122.359%0.58868%0.68SS**  trans46.283.1132.1-166.80000114.1L219 N223L219-V221 PolarHBondContact O-N 2.91Å; V221-N223 HydrophobicContact CG1-CB 3.41Å; V221-N223 VanDerWaalsContact CG1-CB 3.41Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.24Å; V221-N223 PolarHBondContact O-N 2.95Å
222S39.8Very low52.1Low124 Ų124129.4 Ų129.487%0.86770%0.704SS**  trans-64.470.4144.7166.70000109Q220Q220-S222 PolarHBondContact O-N 2.78Å
223N43.6Very low49.5Very low134 Ų134134.7 Ų134.772%0.71773%0.727SS**  trans-108.576.3156.9-70.9-27.3000106.6V221V221-N223 HydrophobicContact CG1-CB 3.41Å; V221-N223 VanDerWaalsContact CG1-CB 3.41Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.24Å; V221-N223 PolarHBondContact O-N 2.95Å
224H34.7Very low47Very low183 Ų183137.4 Ų137.485%0.84774%0.737SS**  trans-94.297.1157.1-161.2-13.4000107.1Q226H224-Q226 PolarHBondContact O-N 2.9Å
225S34.5Very low44.7Very low98 Ų98139.2 Ų139.269%0.68574%0.741SS**  trans-56.1127.9166.3-54.30000108.9
226Q37.8Very low42.3Very low183 Ų183140.4 Ų140.486%0.85575%0.748SS**  trans-76.9110.1167.4176.8177.7300107.7H224H224-Q226 PolarHBondContact O-N 2.9Å
227E31.3Very low40.6Very low182 Ų182146 Ų14685%0.8576%0.755SS**  trans-122.1136.7168-176.4173.2179.800108.8
228V34.8Very low38.9Very low124 Ų124146 Ų14675%0.75277%0.767SS**  trans-109.9138.5-170.3163.50000107.7
229G32.8Very low37.8Very low61 Ų61149.7 Ų149.763%0.62978%0.781SS**  trans78.8144.9170.300000112.5
230E36Very low36.8Very low199 Ų199149.8 Ų149.893%0.9379%0.787SS**  cis-148.5170.634.9-67.8176.5163.200111.3
231E37.3Very low36Very low183 Ų183146.9 Ų146.986%0.85579%0.785SS**  trans-66.4151.5-175.2-52.8174.4176.700112.4
232E34.9Very low35.5Very low199 Ų199147 Ų14793%0.9379%0.791SS**  -175.6146.1123.3-98.2-179.8-158.400111.7
233E35.6Very low35.3Very low179 Ų179148.6 Ų148.684%0.83679%0.788SS**  trans-74.4159.7-172.7-56.5-178.7148.200112.7
234E35.5Very low34.8Very low173 Ų173147.6 Ų147.681%0.80879%0.787SS**  177.7147122.9-93.5-76.8178.100111
235E37.1Very low34.6Very low170 Ų170147.2 Ų147.279%0.79479%0.786SS**  trans-78.7158.6-165.3-58.3-17914300113.6
236D32.6Very low34.8Very low117 Ų117148.3 Ų148.363%0.62679%0.789SS**  158.6126108.4-160.839.1000113.5
237R38.1Very low35Very low219 Ų219144.6 Ų144.683%0.82678%0.78SS**  trans44.6133.5150.4-76.3164.6-143.9-81-8.1123
238G30.3Very low35.3Very low73 Ų73142 Ų14275%0.75378%0.777SS**  trans151.698.5133.400000115.4
239D36Very low35.4Very low152 Ų152144.6 Ų144.681%0.81378%0.781SS**  trans-38.4145172.9-55.2-59.8000116.7
240T33.6Very low35.7Very low129 Ų129147.5 Ų147.579%0.79179%0.786SS**  170132.2104.2400000112.2
241S33Very low35.8Very low106 Ų106143.4 Ų143.474%0.74178%0.777SS**  trans19131145.561.30000119
242S35.3Very low35.4Very low100 Ų100141.1 Ų141.170%0.69978%0.776SS**  179.7134.267.348.60000109.3
243L36.8Very low35.5Very low156 Ų156136.3 Ų136.382%0.81777%0.77SS**  40.7117.6111.2-75.1165.6000113
244T33.3Very low35.2Very low113 Ų113133.1 Ų133.169%0.69377%0.768SS**  -179.8146.852.533.80000110.6
245E30.8Very low35.2Very low175 Ų175130.4 Ų130.482%0.81877%0.768SS**  trans64.4103.6130.2-154171.5179.600120.5
246T37.8Very low35.3Very low121 Ų121128 Ų12874%0.74277%0.767SS**  trans-68.3157.2152.262.60000109.8
247P43Very low35.2Very low105 Ų105130 Ų13068%0.68278%0.777SS**  -148.4142.382.133-12.6000116.6
248V37.3Very low35.4Very low128 Ų128125 Ų12578%0.77677%0.773SS**  trans-54.7132158.5177.80000110.4
249Q36.8Very low35.4Very low179 Ų179126.7 Ų126.784%0.83677%0.773SS**  trans-127.7113.9160.4-70.1-169.817.900110.2
250T39.8Very low35.2Very low121 Ų121127.9 Ų127.974%0.74277%0.774SS**  trans-83153.9155.847.50000110.2
251P37.9Very low34.9Very low114 Ų114127.1 Ų127.174%0.7477%0.773SS**  -136128.3127.429.3-13.1000111.2
252T27.5Very low34.7Very low135 Ų135127.2 Ų127.283%0.82877%0.774SS**  76.9123.989.7-56.10000114.2
253A38.3Very low34.4Very low97 Ų97126.3 Ų126.380%0.80277%0.772SS**  trans-65149.1-175.500000115.4
254S29.6Very low34.4Very low113 Ų113124.2 Ų124.279%0.7977%0.77SS**  trans-174.9128.8138.3-1690000110.4
255S34.6Very low34.2Very low116 Ų116128.7 Ų128.781%0.81178%0.781SS**  trans-88.4143.2158.3-53.60000108.1
256P38.3Very low34.4Very low119 Ų119132.1 Ų132.177%0.77379%0.786SS**  -148.5151.589.134.6-15.4000115.1
257N32.1Very low34.1Very low158 Ų158131.9 Ų131.985%0.84579%0.79SS**  trans-74.8172.1159.7-74.2-23.4000109.8
258P41.4Very low33.4Very low115 Ų115135.8 Ų135.875%0.74780%0.796SS**  cis-136.6166.36.738.2-19.5000115.1
259S29.5Very low33.4Very low108 Ų108136.2 Ų136.276%0.75580%0.799SS**  trans155.2126.3133.355.80000114.3
260Q32.8Very low33.2Very low177 Ų177135 Ų13583%0.82780%0.798SS**  trans46.7137.4143.1-61-171.344.300123.1
261C27Very low32.6Very low114 Ų114132.6 Ų132.677%0.7780%0.797SS**  trans76.3143.2156.5-59.40000115.7
262S29.5Very low32.2Very low108 Ų108139.4 Ų139.476%0.75581%0.808SS**  cis177.3154.1-14.944.70000104.2
263A29.4Very low32.5Very low81 Ų81139.1 Ų139.167%0.66981%0.806SS**  trans80105.1163.600000118.9
264S35.6Very low31.9Very low111 Ų111142.3 Ų142.378%0.77681%0.806SS**  45.1110.2115.8-144.50000118.9
265F29.8Very low31.8Very low208 Ų208141.6 Ų141.691%0.91280%0.801SS**  trans-134.7112.7155.3-73.5-73.2000112.1
266R33.8Very low31.5Very low246 Ų246141.6 Ų141.693%0.92880%0.797SS**  trans-56.8143.2156.8-87175.3168.6-135.2-1.9110.7
267S32.3Very low30.9Very low117 Ų117147.8 Ų147.882%0.81881%0.805SS**  trans-152.396.3145.9-171.70000108.6
268K29.1Very low30.7Very low186 Ų186151.2 Ų151.281%0.80981%0.806SS**  6691.199.4-111.4179.1-179.9178.60113.4
269V35.7Very low30.1Very low138 Ų138154 Ų15484%0.83681%0.809SS**  trans-67.9128.1159.165.40000108.9
270N32.5Very low30Very low153 Ų153158.3 Ų158.382%0.81882%0.817SS**  trans-96.9115.2166.4-87.8-14000108.3
271G27.6Very low29.9Very low71 Ų71157.7 Ų157.773%0.73281%0.812SS**  trans-73.1149.8173.600000112.6
272R30.7Very low30.2Very low256 Ų256160.6 Ų160.697%0.96681%0.814SS**  trans-126.1140.6153.4-116.1-178.7-164.2-169.74.8108.6
273V32.1Very low30.3Very low130 Ų130161.6 Ų161.679%0.78881%0.811SS**  trans-91.8165.4-161.1161.20000112.2
274M26.2Very low30.3Very low164 Ų164168.7 Ų168.781%0.80882%0.821SS**  trans92.9124.6159.7-128.464.7140.200113.6
275S28.8Very low29.9Very low97 Ų97167.2 Ų167.268%0.67882%0.822SS**  cis-150.8140.645.951.80000114.7
276T26.6Very low30.1Very low117 Ų117163 Ų16372%0.71882%0.819SS**  trans-51.6134.3165.346.90000114.5
277W26.7Very low30.1Very low248 Ų248158.2 Ų158.294%0.93982%0.816SS**  trans-135.9133.9143.7-79.298.5000110
278R28.4Very low30.3Very low230 Ų230162.9 Ų162.987%0.86882%0.816SS**  trans-92.2127.7-162.8174.5-166.3-71.2-1022.2110.2
279E29.1Very low30.6Very low175 Ų175159.8 Ų159.882%0.81881%0.813SS**  trans3.5118.9141.5-160.7158.8-170.100117.8
280Q27.2Very low30.6Very low197 Ų197160.4 Ų160.492%0.92181%0.811SS**  trans-116130.9154.3-162.417731.500107.8
281K30.4Very low30.7Very low165 Ų165160.2 Ų160.272%0.71781%0.81SS**  trans-101.6163.5-169.2-167.2-176.2-179.2-177.70109.8
282E32.6Very low31.2Very low174 Ų174162.5 Ų162.581%0.81381%0.81SS**  trans100.8143157.3-54.8171.5-163.700115.7
283D30.9Very low31.5Very low130 Ų130156.3 Ų156.370%0.69580%0.801SS**  cis-176.6155.9-27.3-166.66.4000104.7
284W29.7Very low31.6Very low230 Ų230155.4 Ų155.487%0.87180%0.801SS**  trans70.7127.7170-61.780.4000122.2
285G27.9Very low31.7Very low79 Ų79154.1 Ų154.181%0.81481%0.806SS**  trans15285.6146.900000117.1
286S33.7Very low32.2Very low119 Ų119154 Ų15483%0.83281%0.805SS**  trans-78.6128.3169.6171.10000112.1
287V33.3Very low32.9Very low146 Ų146154.5 Ų154.589%0.88581%0.813SS**  trans-149.8132.2152.5179.40000110.2
288R36.6Very low33.4Very low216 Ų216150.1 Ų150.182%0.81580%0.803SS**  trans-80.4171.2178.2-80.7179153.9-165-4.4113.7
289T35.2Very low34.5Very low120 Ų120148.9 Ų148.974%0.73680%0.804SS**  trans91.9137.5153.676.80000114.9
290N36.1Very low35.3Very low151 Ų151148.4 Ų148.481%0.80780%0.802SS**  cis-155.7167.526.4-99.1-30.4000113.3
291D34.6Very low36.4Very low149 Ų149147.3 Ų147.380%0.79780%0.796SS**  trans-52.5171.4176.6-109.5-38.4000120.1
292V39.5Very low37.6Very low119 Ų119145.2 Ų145.272%0.72180%0.803SS**  trans79.3117.7153.4166.60000115.7
293T35.3Very low39.5Very low126 Ų126142 Ų14277%0.77380%0.8SS**  -173.1144.574.3-44.20000111.9
294S34.8Very low41.8Very low112 Ų112140.4 Ų140.478%0.78379%0.79SS**  trans-40.2128.1167.5-54.80000115.1S296S294-S296 PolarHBondContact O-N 3.08Å
295C29.3Very low44.5Very low136 Ų136134.3 Ų134.392%0.91977%0.771SS**  trans-84.699.9171-1510000109.1
296S39.5Very low47.3Very low96 Ų96134.3 Ų134.367%0.67176%0.764SS**  trans-75.2131.1169.757.30000110.1S294 H298S294-S296 PolarHBondContact O-N 3.08Å; S296-H298 PolarHBondContact O-N 2.8Å
297S39.8Very low49.9Very low126 Ų126134.8 Ų134.888%0.88175%0.753SS**  trans-63.396.9173.8-49.60000110.7K299S297-K299 PolarHBondContact O-N 2.86Å
298H38.7Very low52.7Low157 Ų157135.7 Ų135.773%0.72774%0.74SS**  trans-78.1104.2171.2-147.4-94.9000107.9S296 E300S296-H298 PolarHBondContact O-N 2.8Å; H298-E300 PolarHBondContact O-N 3.41Å
299K50.4Low55.3Low203 Ų203131.2 Ų131.288%0.88373%0.727SS**  trans-71.381.7166.3-164.9-176.9-176.4-1730106.3S297 E301S297-K299 PolarHBondContact O-N 2.86Å; K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.06Å
300E45.4Very low58.1Low165 Ų165130.6 Ų130.677%0.77172%0.716SS**  trans-72.592.8174.9-163.9164.8-172.900107.1H298 S302H298-E300 PolarHBondContact O-N 3.41Å; E300-S302 PolarHBondContact O-N 3.22Å
301E50.5Low60.7Low174 Ų174132.1 Ų132.181%0.81371%0.71SS**  trans-51.4112.6164.9-166.5166-148.800106.3K299 S303K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.06Å; E301-S303 PolarHBondContact O-N 2.94Å
302S56.8Low63.5Low122 Ų122127.3 Ų127.385%0.85369%0.691SS**  trans-71.465.6-176.549.40000110.1E300 I304E300-S302 PolarHBondContact O-N 3.22Å; S302-I304 PolarHBondContact O-N 3.29Å; S302-I304 VanDerWaalsContact O-N 3.13Å
303S70.9Confident65.9Low106 Ų106123.3 Ų123.374%0.74167%0.671SS**  trans-72.2103.6174.6178.90000107.5E301 E305E301-S303 PolarHBondContact O-N 2.94Å; S303-E305 PolarHBondContact O-N 3.06Å
304I79.8Confident68.6Low96 Ų96120.7 Ų120.749%0.49265%0.652SS.*  trans-63.8125.2170.1-172.9165.9000108.8S302 A306 R308 F309S302-I304 PolarHBondContact O-N 3.29Å; S302-I304 VanDerWaalsContact O-N 3.13Å; I304-A306 PolarHBondContact O-N 3.43Å; I304-R308 HydrophobicContact CD1-CB 4.25Å; I304-R308 HydrophobicContact CG1-CB 3.9Å; I304-F309 HydrophobicContact CD1-CB 4.24Å; I304-F309 HydrophobicContact CG1-CB 4.27Å; I304-F309 HydrophobicContact CG2-CB 4.13Å; I304-F309 HydrophobicContact CG2-CD2 4.18Å
305E87.2Confident71.3Confident102 Ų102119 Ų11948%0.47764%0.637SS.*  trans-55.2134.3173.8179.7176.9-154.500110S303 E307 R308 F309S303-E305 PolarHBondContact O-N 3.06Å; E305-E307 HydrophobicContact CG-CB 4.46Å; E305-E307 PolarHBondContact O-N 3.47Å; E305-E307 VanDerWaalsContact O-N 3.09Å; E305-R308 HydrophobicContact CB-CB 4.4Å; E305-R308 HydrophobicContact CB-CG 4.08Å; E305-R308 WeakPolarHBondContact O-CA 3.38Å; E305-R308 WeakPolarHBondContact O-CB 3.46Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-NE 3.14Å; E305-R308 PolarHBondContact OE2-NE 3.33Å; E305-R308 VanDerWaalsContact OE2-NE 3.14Å; E305-F309 PolarHBondContact O-N 3.05Å
306A85.8Confident74.3Confident80 Ų80117.4 Ų117.466%0.66162%0.618SS**Hα-helixtrans-54.6-35.2-173.200000112.7I304 F309 Q310I304-A306 PolarHBondContact O-N 3.43Å; A306-F309 PolarHBondContact O-N 2.86Å; A306-Q310 PolarHBondContact O-N 2.99Å
307E89.3Confident76.5Confident129 Ų129115.6 Ų115.660%0.60361%0.609SS**Hα-helixtrans-67.7-37.3176.6-59.4-166.8176.200112.8E305 Q310 R311E305-E307 HydrophobicContact CG-CB 4.46Å; E305-E307 PolarHBondContact O-N 3.47Å; E305-E307 VanDerWaalsContact O-N 3.09Å; E307-Q310 PolarHBondContact O-N 2.87Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 2.75Å
308R91Very high78.7Confident165 Ų165119.3 Ų119.362%0.62360%0.604SS**Hα-helixtrans-70.6-39.4176.9-64.6-174.5-174.5-153.8-4.1111.1I304 E305 R311 A312I304-R308 HydrophobicContact CD1-CB 4.25Å; I304-R308 HydrophobicContact CG1-CB 3.9Å; E305-R308 HydrophobicContact CB-CB 4.4Å; E305-R308 HydrophobicContact CB-CG 4.08Å; E305-R308 WeakPolarHBondContact O-CA 3.38Å; E305-R308 WeakPolarHBondContact O-CB 3.46Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-NE 3.14Å; E305-R308 PolarHBondContact OE2-NE 3.33Å; E305-R308 VanDerWaalsContact OE2-NE 3.14Å; R308-R311 PolarHBondContact O-N 2.84Å; R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.35Å
309F92.4Very high80.8Confident122 Ų122118.7 Ų118.754%0.53560%0.601SS.*Hα-helixtrans-60.4-47.4173.3179.9-94.3000111.2I304 E305 A306 R311 A312 A313I304-F309 HydrophobicContact CD1-CB 4.24Å; I304-F309 HydrophobicContact CG1-CB 4.27Å; I304-F309 HydrophobicContact CG2-CB 4.13Å; I304-F309 HydrophobicContact CG2-CD2 4.18Å; E305-F309 PolarHBondContact O-N 3.05Å; A306-F309 PolarHBondContact O-N 2.86Å; F309-R311 PolarHBondContact O-N 3.48Å; F309-A312 PolarHBondContact O-N 3.16Å; F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.14Å
310Q92.4Very high82.3Confident106 Ų106118.1 Ų118.150%0.49560%0.595SS.*Hα-helixtrans-62.4-41.5179.1-170.661.24700112A306 E307 A312 A313 D314A306-Q310 PolarHBondContact O-N 2.99Å; E307-Q310 PolarHBondContact O-N 2.87Å; Q310-A312 PolarHBondContact O-N 3.07Å; Q310-A313 PolarHBondContact O-N 3.11Å; Q310-D314 PolarHBondContact NE2-OD1 3.33Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact O-N 3.4Å
311R92.3Very high83.5Confident184 Ų184112.6 Ų112.669%0.69458%0.582SS**Hα-helixtrans-61.8-42.1174.6-75-177.2-170.9-1605.5112.3E307 R308 F309 D314 V315E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 2.75Å; R308-R311 PolarHBondContact O-N 2.84Å; F309-R311 PolarHBondContact O-N 3.48Å; R311-D314 PolarHBondContact O-N 3.48Å; R311-V315 WeakPolarHBondContact O-CG2 3.34Å; R311-V315 PolarHBondContact O-N 2.9Å; R311-V315 VanDerWaalsContact O-N 3.11Å
312A91.9Very high84.2Confident47 Ų47108.2 Ų108.239%0.38858%0.584SS.*Hα-helixtrans-64.4-42.817700000111.4R308 F309 Q310 D314 V315 L316R308-A312 WeakPolarHBondContact O-CB 3.39Å; R308-A312 PolarHBondContact O-N 3.35Å; F309-A312 PolarHBondContact O-N 3.16Å; Q310-A312 PolarHBondContact O-N 3.07Å; A312-D314 PolarHBondContact O-N 2.93Å; A312-V315 PolarHBondContact O-N 3.48Å; A312-L316 WeakPolarHBondContact O-CG 3.33Å; A312-L316 PolarHBondContact O-N 3.19Å
313A90.4Very high84.1Confident36 Ų36104.6 Ų104.630%0.29857%0.565SS.*Hα-helixtrans-60.8-42.4175.300000112.2F309 Q310 V315 L316 A317F309-A313 WeakPolarHBondContact O-CB 3.37Å; F309-A313 PolarHBondContact O-N 3.14Å; Q310-A313 PolarHBondContact O-N 3.11Å; A313-V315 PolarHBondContact O-N 3.31Å; A313-L316 PolarHBondContact O-N 3Å; A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.42Å
314D91.4Very high83.5Confident71 Ų71104.6 Ų104.638%0.3857%0.566SS.*Hα-helixtrans-63.5-39.8177.2-80.69.3000112.4Q310 R311 A312 A317 R318Q310-D314 PolarHBondContact NE2-OD1 3.33Å; Q310-D314 VanDerWaalsContact NE2-OD1 3.14Å; Q310-D314 PolarHBondContact O-N 3.4Å; R311-D314 PolarHBondContact O-N 3.48Å; A312-D314 PolarHBondContact O-N 2.93Å; D314-A317 PolarHBondContact O-N 3.35Å; D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 3.42Å
315V92.9Very high82.2Confident77 Ų77109.1 Ų109.147%0.46758%0.582SS.*Hα-helixtrans-63.8-45.6175.6171.20000110.4R311 A312 A313 A317 R318 H319R311-V315 WeakPolarHBondContact O-CG2 3.34Å; R311-V315 PolarHBondContact O-N 2.9Å; R311-V315 VanDerWaalsContact O-N 3.11Å; A312-V315 PolarHBondContact O-N 3.48Å; A313-V315 PolarHBondContact O-N 3.31Å; V315-A317 VanDerWaalsContact C-N 3.34Å; V315-A317 PolarHBondContact O-N 3.49Å; V315-R318 PolarHBondContact O-N 3.42Å; V315-H319 PolarHBondContact O-CD2 2.88Å; V315-H319 VanDerWaalsContact O-CD2 3.29Å; V315-H319 PolarHBondContact O-N 3.49Å
316L90.4Very high80.6Confident101 Ų101110.3 Ų110.353%0.52960%0.597SS.*Hα-helixtrans-63.8-40.3177.5-68.5172.8000111.8A312 A313 R318 H319 Y320A312-L316 WeakPolarHBondContact O-CG 3.33Å; A312-L316 PolarHBondContact O-N 3.19Å; A313-L316 PolarHBondContact O-N 3Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.04Å; L316-H319 PolarHBondContact O-N 2.97Å; L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.99Å; L316-Y320 WeakPolarHBondContact O-CB 3.39Å; L316-Y320 PolarHBondContact O-N 3.45Å
317A86.8Confident78.8Confident59 Ų59117.8 Ų117.849%0.48861%0.608SS.*Hα-helixtrans-62.4-36.7175.600000112.2A313 D314 V315 G321A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.42Å; D314-A317 PolarHBondContact O-N 3.35Å; V315-A317 VanDerWaalsContact C-N 3.34Å; V315-A317 PolarHBondContact O-N 3.49Å; A317-G321 WeakPolarHBondContact O-CA 3.49Å; A317-G321 PolarHBondContact O-N 3.01Å
318R85.7Confident76.4Confident203 Ų203114.4 Ų114.477%0.76661%0.607SS**Hα-helixtrans-70.2-40175.7-70.1174.7-166.9-173.44.7113.2D314 V315 L316D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 3.42Å; V315-R318 PolarHBondContact O-N 3.42Å; L316-R318 VanDerWaalsContact C-N 3.31Å; L316-R318 PolarHBondContact O-N 3.04Å
319H83.1Confident74.5Confident145 Ų145112.8 Ų112.867%0.67162%0.616SS**Hα-helixtrans-85.2-30.1-174.4-80-74.8000113.7V315 L316V315-H319 PolarHBondContact O-CD2 2.88Å; V315-H319 VanDerWaalsContact O-CD2 3.29Å; V315-H319 PolarHBondContact O-N 3.49Å; L316-H319 PolarHBondContact O-N 2.97Å
320Y81.9Confident72Confident191 Ų191118.3 Ų118.375%0.74963%0.633SS**Hα-helixtrans-126.7-12.7-172-58.7-80.3000113.7L316 G322L316-Y320 HydrophobicContact CD2-CD2 3.96Å; L316-Y320 HydrophobicContact CD2-CE2 3.99Å; L316-Y320 WeakPolarHBondContact O-CB 3.39Å; L316-Y320 PolarHBondContact O-N 3.45Å; Y320-G322 PolarHBondContact O-N 3Å
321G70.3Confident69.5Low48 Ų48119.1 Ų119.150%0.49565%0.646SS.*  trans-79.881.8175.300000111.3A317 G323A317-G321 WeakPolarHBondContact O-CA 3.49Å; A317-G321 PolarHBondContact O-N 3.01Å; G321-G323 PolarHBondContact O-N 3.09Å; G321-G323 VanDerWaalsContact O-N 3.09Å
322G65.8Low66.9Low83 Ų83116.2 Ų116.286%0.85665%0.654SS**  trans-65.1105.5170.500000111.1Y320Y320-G322 PolarHBondContact O-N 3Å
323G54.8Low64.3Low45 Ų45122.4 Ų122.446%0.46467%0.674SS.*SBendtrans145.1115.716700000114.4G321 F325G321-G323 PolarHBondContact O-N 3.09Å; G321-G323 VanDerWaalsContact O-N 3.09Å; G323-F325 WeakPolarHBondContact O-CD2 3.46Å; G323-F325 WeakPolarHBondContact O-CE2 3.42Å; G323-F325 PolarHBondContact O-N 3.43Å
324S57.6Low61.9Low107 Ų107130.1 Ų130.175%0.74870%0.701SS**  trans-54.2112.1171.8-1790000112
325F53.9Low59.4Low190 Ų190131.6 Ų131.683%0.83371%0.713SS**  trans-116.691.6153.5-36-74.8000107G323 R327G323-F325 WeakPolarHBondContact O-CD2 3.46Å; G323-F325 WeakPolarHBondContact O-CE2 3.42Å; G323-F325 PolarHBondContact O-N 3.43Å; F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 3.13Å
326T52.1Low57Low128 Ų128134 Ų13479%0.78573%0.73SS**  trans-59.1100159.350.90000107G328T326-G328 PolarHBondContact O-N 3.3Å
327R49.3Very low54.4Low237 Ų237137.8 Ų137.889%0.89475%0.745SS**  trans-65.385.1168178.2174.2144.6-169.6-6107.1F325 T329F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 3.13Å; R327-T329 PolarHBondContact O-N 2.69Å; R327-T329 VanDerWaalsContact O-N 3.16Å
328G38.9Very low51.9Low58 Ų58138.5 Ų138.560%0.59876%0.758SS**  trans-58.4115.4167.500000108.3T326 R330T326-G328 PolarHBondContact O-N 3.3Å; G328-R330 PolarHBondContact O-N 2.96Å
329T49.4Very low49.6Very low131 Ų131137.1 Ų137.180%0.80477%0.765SS**  trans-57.488.5163.222.40000108.7R327 T331R327-T329 PolarHBondContact O-N 2.69Å; R327-T329 VanDerWaalsContact O-N 3.16Å; T329-T331 PolarHBondContact O-N 3.06Å
330R39.8Very low47.5Very low237 Ų237135 Ų13589%0.89477%0.766SS**  trans-85.793.6161.1-72.8-177.269.7177.70.9107.3G328 S332G328-R330 PolarHBondContact O-N 2.96Å; R330-S332 PolarHBondContact O-N 2.91Å
331T40.8Very low45.9Very low124 Ų124134.7 Ų134.776%0.76177%0.772SS**  trans-56.5107.3159.148.40000107.7T329 Q333T329-T331 PolarHBondContact O-N 3.06Å; T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.29Å
332S37.7Very low44.9Very low123 Ų123140.8 Ų140.886%0.8679%0.787SS**  trans-75.487.9172.4-155.50000107.8R330 K334R330-S332 PolarHBondContact O-N 2.91Å; S332-K334 PolarHBondContact O-N 3.14Å
333Q38.3Very low44.1Very low176 Ų176146.3 Ų146.382%0.82279%0.791SS**  trans-77113.6163-76.6-155.3-14.500108.2T331 T335T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.29Å; Q333-T335 PolarHBondContact O-N 3.22Å
334K39.5Very low44.3Very low199 Ų199153.3 Ų153.387%0.86581%0.811SS**  trans-74.5111.4174.1-178.4178.1-177.4177.40108.7S332S332-K334 PolarHBondContact O-N 3.14Å
335T38.4Very low44.4Very low102 Ų102157 Ų15763%0.62682%0.817SS**  trans-116.8136.4160.350.70000108.8Q333Q333-T335 PolarHBondContact O-N 3.22Å
336P43.6Very low44.4Very low127 Ų127155.3 Ų155.383%0.82582%0.815SS**PPolyproline II helixtrans-87.8117.5175.832.6-26000108.9
337H35.6Very low44.8Very low181 Ų181158.4 Ų158.484%0.83882%0.817SS**PPolyproline II helixtrans-90.3123.3166.9-89.7-68.2000109.5
338G34.1Very low45Very low74 Ų74156.7 Ų156.776%0.76383%0.833SS**PPolyproline II helixtrans-69.4151.4175.600000112.5
339L35.9Very low45.3Very low173 Ų173161.6 Ų161.691%0.90684%0.844SS**PPolyproline II helixtrans-70.7124.8172.2-62.7163.3000108.8
340S39.2Very low45.1Very low100 Ų100163.2 Ų163.270%0.69985%0.847SS**  trans-108.9108.9155.361.70000107.6
341E47.9Very low45.4Very low186 Ų186159.1 Ų159.187%0.86984%0.844SS**  trans-70.5118.8161.1-64.1170.1167.800106.7
342E50.3Low45.6Very low176 Ų176161.2 Ų161.282%0.82285%0.849SS**  trans-136.2124.5159.963.3-164.1173.700109.1
343E48.1Very low46.1Very low198 Ų198163.6 Ų163.693%0.92585%0.848SS**  trans-78.9122.7-166.2-57.2170.9138.600109.2
344E60.4Low46.6Very low193 Ų193162.7 Ų162.790%0.90285%0.85SS**  trans-93.8105.6170-122.6-176.7-179.400109.7I346E344-I346 PolarHBondContact O-N 2.95Å
345E58.4Low47.1Very low183 Ų183160.1 Ų160.186%0.85585%0.849SS**  trans-64.3112.9175.8-172.2179.6176.800111K347E345-K347 PolarHBondContact O-N 3.32Å
346I54.8Low47.8Very low156 Ų156164.6 Ų164.680%0.887%0.866SS**  trans-82.7109.6172.2-59.5169.7000108.3E344E344-I346 PolarHBondContact O-N 2.95Å
347K60.1Low48.2Very low192 Ų192167.8 Ų167.884%0.83587%0.869SS**  trans-89.6118.5171.4-163.3167.7-177.61780110.2E345E345-K347 PolarHBondContact O-N 3.32Å
348V53.4Low49.3Very low201 Ų201166.5 Ų166.5100%1.21887%0.872SS**  trans-76.70174.1-179.20000111

Retrieved 348 of 348 residues in 66.1 ms (Link to these results)