A0A087XTE1_POEFO Loading...

SKI family transcriptional corepressor 1b

AlphaFold DB , UniProt , Accession A0A087XTE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 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
1M36.5Very low36.1Very low222 Ų222140.8 Ų140.8100%1.09480%0.801SS**  081.50-65.9167.6176.900106
2D32.2Very low35.6Very low150 Ų150139.1 Ų139.180%0.80281%0.805SS**  cis69.3129.348-43.1-46.2000110.7
3S34.2Very low35.2Very low113 Ų113137.2 Ų137.279%0.7980%0.804SS**  cis-151.7161.810.3-117.40000115
4I43.5Very low35.1Very low135 Ų135135.4 Ų135.469%0.69280%0.803SS**  trans-70.9154.6162.6-66.5160.1000109.4T6I4-T6 HydrophobicContact CG2-CG2 3.73Å
5P47.6Very low35.7Very low132 Ų132134.9 Ų134.986%0.85780%0.804SS**  trans-129.2119.613334.6-26.4000112.8
6T38.8Very low35.3Very low132 Ų132136.7 Ų136.781%0.8181%0.809SS**  trans-103.1135.7171.341.10000110.5I4I4-T6 HydrophobicContact CG2-CG2 3.73Å
7G33.4Very low35.4Very low75 Ų75133.8 Ų133.877%0.77380%0.798SS**  trans169.3154.8154.700000115.1
8R37.6Very low35.4Very low222 Ų222138.1 Ų138.184%0.83880%0.804SS**  cis-165.4112.3-21-169.7172-176.3170.4-0.8109.5
9D31.7Very low35.3Very low125 Ų125139.4 Ų139.467%0.66880%0.802SS**  trans52.4156.8149.7-49-35.5000123.5
10T31.7Very low35Very low122 Ų122141.3 Ų141.375%0.74880%0.803SS**  trans81.686146.935.40000122.9
11T30Very low35Very low121 Ų121140 Ų14074%0.74279%0.794SS**  70.2132.911653.30000124
12S29.7Very low34.6Very low120 Ų120134.5 Ų134.584%0.83978%0.777SS**  trans73.7152.5151.681.20000117.1
13S30.2Very low34.6Very low114 Ų114135.7 Ų135.780%0.79777%0.771SS**  cis-141.4-174.25.158.70000112.6
14S34.7Very low34.9Very low113 Ų113135.9 Ų135.979%0.7977%0.77SS**  trans-82-177.4-161.9-47.20000114.7
15P43.4Very low34.8Very low127 Ų127134.6 Ų134.683%0.82577%0.773SS**  trans-92.3171.2-146.638.9-40000115.4
16N29.1Very low35.1Very low164 Ų164133 Ų13388%0.87776%0.76SS**  trans-130.2148.1158.6-159.5-6.3000111.2
17S38.1Very low35.8Very low88 Ų88134.4 Ų134.462%0.61576%0.763SS**  trans-91.5128.1-166.2-177.20000113.4
18K34.2Very low37.3Very low211 Ų211133.7 Ų133.792%0.91774%0.742SS**  trans-134.983.7146.1-73.4-163.4176-177.80109.3E20K18-E20 VanDerWaalsContact C-N 3.33Å; K18-E20 PolarHBondContact O-N 3.07Å
19Q33.5Very low39Very low162 Ų162130.3 Ų130.376%0.75773%0.733SS**  trans-74.281.1176.9-170.8-178.917.200110.6L21Q19-L21 HydrophobicContact CG-CD1 4.16Å; Q19-L21 PolarHBondContact O-N 3.23Å
20E29.1Very low41.1Very low178 Ų178129 Ų12983%0.83273%0.731SS**  trans-73.5121.5168.8-152.3-169.9149.200109.4K18 S22K18-E20 VanDerWaalsContact C-N 3.33Å; K18-E20 PolarHBondContact O-N 3.07Å; E20-S22 PolarHBondContact O-N 3.49Å
21L35.1Very low43.4Very low115 Ų115126 Ų12660%0.60271%0.711SS**  trans-76.173.7176.7-92.575.5000110.4Q19 Y23Q19-L21 HydrophobicContact CG-CD1 4.16Å; Q19-L21 PolarHBondContact O-N 3.23Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 HydrophobicContact CB-CE2 4.43Å; L21-Y23 VanDerWaalsContact O-CD2 3.29Å; L21-Y23 WeakPolarHBondContact O-CD2 2.96Å; L21-Y23 PolarHBondContact O-N 2.74Å
22S29.1Very low46.1Very low106 Ų106124.8 Ų124.874%0.74170%0.696SS**  trans-70.292.3166-163.40000109E20E20-S22 PolarHBondContact O-N 3.49Å
23Y31.7Very low49Very low175 Ų175122.2 Ų122.269%0.68668%0.675SS**  trans-54.6138.8169.6-68.1-95.2000109L21 S25L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 HydrophobicContact CB-CE2 4.43Å; L21-Y23 VanDerWaalsContact O-CD2 3.29Å; L21-Y23 WeakPolarHBondContact O-CD2 2.96Å; L21-Y23 PolarHBondContact O-N 2.74Å; Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.04Å; Y23-S25 PolarHBondContact O-OG 2.81Å
24P40.4Very low51.8Low116 Ų116118.2 Ų118.275%0.75365%0.652SS**  trans-66.388.1-176.527.3-35000110.7T26P24-T26 PolarHBondContact O-N 2.65Å
25S40.9Very low54.6Low109 Ų109119.2 Ų119.276%0.76265%0.645SS**  trans-7574.9177.1-63.10000108.5Y23 N27Y23-S25 VanDerWaalsContact C-N 3.28Å; Y23-S25 PolarHBondContact O-N 3.04Å; Y23-S25 PolarHBondContact O-OG 2.81Å; S25-N27 PolarHBondContact O-N 3.29Å
26T54.4Low56.9Low97 Ų97113.9 Ų113.960%0.59561%0.609SS**  trans-47.3122.2172.846.90000109P24 L28P24-T26 PolarHBondContact O-N 2.65Å; T26-L28 PolarHBondContact O-N 3.46Å; T26-L28 WeakPolarHBondContact OG1-CG 3.13Å
27N53.8Low59.9Low162 Ų162110.2 Ų110.287%0.86659%0.593SS**  trans-79.568.3-177.6-151.4-81.3000108.9S25 K29S25-N27 PolarHBondContact O-N 3.29Å; N27-K29 PolarHBondContact O-N 2.98Å
28L64Low62.5Low61 Ų61106.2 Ų106.232%0.31956%0.564SS.*PPolyproline II helixtrans-67.8121.9-170.8-64.9177.8000110.3T26 V47T26-L28 PolarHBondContact O-N 3.46Å; T26-L28 WeakPolarHBondContact OG1-CG 3.13Å; L28-V47 HydrophobicContact CB-CB 4.47Å; L28-V47 HydrophobicContact CB-CG1 3.74Å; L28-V47 HydrophobicContact CB-CG2 4.01Å; L28-V47 HydrophobicContact CD1-CG1 4.39Å; L28-V47 HydrophobicContact CD1-CG2 4.04Å; L28-V47 HydrophobicContact CG-CG2 4.46Å
29K74.4Confident65.1Low151 Ų151101.7 Ų101.766%0.65754%0.543SS*.PPolyproline II helixtrans-70.2135.4-179.1-69.6176.5179.6175.30109.5N27 N31 Q32N27-K29 PolarHBondContact O-N 2.98Å; K29-N31 PolarHBondContact O-N 3.43Å; K29-Q32 HydrophobicContact CB-CB 4.42Å; K29-Q32 WeakPolarHBondContact O-CB 3.23Å; K29-Q32 PolarHBondContact O-N 3.38Å
30P75.4Confident67.7Low96 Ų9697.1 Ų97.162%0.62354%0.538SS*.THydrogen-bonded Turntrans-63136.7-179.226-34.2000110.6Q32P30-Q32 PolarHBondContact O-N 2.84Å
31N79.4Confident70.7Confident61 Ų6191.5 Ų91.533%0.32651%0.514SS..THydrogen-bonded Turntrans64.717.2-172.1-37.7-82.2000115K29 V33 L46 V47 Q90 I93K29-N31 PolarHBondContact O-N 3.43Å; N31-V33 PolarHBondContact O-N 3.44Å; N31-L46 WeakPolarHBondContact O-CD1 3.5Å; N31-V47 WeakPolarHBondContact CA-O 3.34Å; N31-V47 PolarHBondContact N-O 2.89Å; N31-Q90 VanDerWaalsContact OD1-CG 3.25Å; N31-Q90 WeakPolarHBondContact OD1-CG 3.49Å; N31-Q90 PolarHBondContact OD1-NE2 2.91Å; N31-I93 HydrophobicContact CB-CD1 4.22Å
32Q86.8Confident73.4Confident94 Ų9489 Ų8944%0.43950%0.504SS..  trans-63.3128.2164-178.6170.3-3.600109.5K29 P30 V47K29-Q32 HydrophobicContact CB-CB 4.42Å; K29-Q32 WeakPolarHBondContact O-CB 3.23Å; K29-Q32 PolarHBondContact O-N 3.38Å; P30-Q32 PolarHBondContact O-N 2.84Å; Q32-V47 HydrophobicContact CB-CG2 4.23Å; Q32-V47 PolarHBondContact O-N 3.16Å
33V90.6Very high76.6Confident66 Ų6683.9 Ų83.940%0.447%0.469SS..EExtended strand (participates in β ladder)trans-77.6138.7172.1-175.20000109N31 V44 L46 I93 A97N31-V33 PolarHBondContact O-N 3.44Å; V33-V44 HydrophobicContact CG1-CG1 3.85Å; V33-L46 HydrophobicContact CG2-CD1 3.87Å; V33-I93 HydrophobicContact CG2-CG2 3.23Å; V33-A97 HydrophobicContact CG1-CB 4.27Å
34G90.3Very high79.6Confident30 Ų3076.2 Ų76.231%0.30944%0.44SS..EExtended strand (participates in β ladder)trans-136.2-176.8170.200000111.1S45G34-S45 WeakPolarHBondContact CA-OG 3.28Å; G34-S45 PolarHBondContact N-O 2.86Å; G34-S45 PolarHBondContact O-N 3.1Å; G34-S45 PolarHBondContact O-OG 3.02Å
35E92Very high82.1Confident135 Ų13570.8 Ų70.863%0.63140%0.404SS*.EExtended strand (participates in β ladder)trans-137.3125.6174.8-174.1172.8-111.900108.2P42E35-P42 VanDerWaalsContact CD-CB 3.48Å; E35-P42 HydrophobicContact CG-CB 3.73Å; E35-P42 WeakPolarHBondContact OE1-CB 3.47Å
36T91.9Very high84.7Confident14 Ų1465.6 Ų65.69%0.08637%0.368CS..EExtended strand (participates in β ladder)trans-118.3126.5177.3-101.60000109.1I43 E52 L54 K112T36-I43 PolarHBondContact N-O 2.82Å; T36-I43 PolarHBondContact O-N 3.32Å; T36-E52 VanDerWaalsContact CB-OE1 3.32Å; T36-E52 WeakPolarHBondContact CB-OE1 3.48Å; T36-E52 PolarHBondContact OG1-OE1 2.99Å; T36-E52 PolarHBondContact OG1-OE2 3.08Å; T36-L54 HydrophobicContact CG2-CD1 4.43Å; T36-L54 HydrophobicContact CG2-CD2 3.86Å; T36-L54 HydrophobicContact CG2-CG 4.38Å; T36-K112 HydrophobicContact CG2-CD 3.75Å; T36-K112 HydrophobicContact CG2-CG 4.07Å
37V92.8Very high86.4Confident87 Ų8761.4 Ų61.453%0.52734%0.342SS..EExtended strand (participates in β ladder)trans-73.5128.9173-177.40000110.1I41V37-I41 WeakPolarHBondContact CA-O 3.13Å
38L92.4Very high88.2Confident4 Ų454 Ų542%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-133.3112.3-178.5-177.464.2000108.6G40 I41 I43 L54 I59 L63 A115 E116L38-G40 PolarHBondContact O-N 2.9Å; L38-I41 PolarHBondContact N-O 2.82Å; L38-I41 PolarHBondContact O-N 2.86Å; L38-I43 HydrophobicContact CB-CG1 4.04Å; L38-I43 HydrophobicContact CD2-CG1 4.31Å; L38-L54 HydrophobicContact CD2-CD2 4.05Å; L38-I59 HydrophobicContact CD2-CD1 4.08Å; L38-I59 HydrophobicContact CD2-CG1 4.05Å; L38-L63 HydrophobicContact CB-CD1 4.21Å; L38-L63 HydrophobicContact CD2-CD1 3.59Å; L38-L63 HydrophobicContact CG-CD1 3.69Å; L38-A115 HydrophobicContact CD1-CB 4.43Å; L38-A115 HydrophobicContact CD2-CB 3.71Å; L38-E116 HydrophobicContact CD1-CG 3.63Å
39Y88.4Confident89.2Confident117 Ų11757.9 Ų57.946%0.45932%0.324SS..THydrogen-bonded Turntrans5137.4-171.3-60.1-82.8000114.4I41 L63 E116 C119Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 2.86Å; Y39-L63 HydrophobicContact CD2-CD1 4.34Å; Y39-E116 PolarHBondContact OH-O 3.36Å; Y39-C119 HydrophobicContact CD2-CB 4.02Å; Y39-C119 HydrophobicContact CE2-CB 3.5Å; Y39-C119 VanDerWaalsContact CE2-CB 3.5Å
40G87.9Confident89.6Confident65 Ų6553.2 Ų53.267%0.6732%0.319SS*.THydrogen-bonded Turntrans82.6-10.4-178.900000114.9L38L38-G40 PolarHBondContact O-N 2.9Å
41I92.2Very high90.2Very high61 Ų6153.2 Ų53.231%0.31331%0.311SS..EExtended strand (participates in β ladder)trans-92.5129.3174.3-57.5-169.2000109.4V37 L38 Y39 I43 L63V37-I41 WeakPolarHBondContact CA-O 3.13Å; L38-I41 PolarHBondContact N-O 2.82Å; L38-I41 PolarHBondContact O-N 2.86Å; Y39-I41 VanDerWaalsContact C-N 3.25Å; Y39-I41 PolarHBondContact O-N 2.86Å; I41-I43 HydrophobicContact CG2-CD1 4.04Å; I41-L63 HydrophobicContact CB-CD2 4.35Å; I41-L63 HydrophobicContact CD1-CD2 3.62Å; I41-L63 HydrophobicContact CD1-CG 4.09Å; I41-L63 HydrophobicContact CG1-CD2 3.99Å
42P93.3Very high90.8Very high61 Ų6153.3 Ų53.340%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-68.6130.3169.227.1-31.9000110.9E35E35-P42 VanDerWaalsContact CD-CB 3.48Å; E35-P42 HydrophobicContact CG-CB 3.73Å; E35-P42 WeakPolarHBondContact OE1-CB 3.47Å
43I95.3Very high91.2Very high0 Ų050.1 Ų50.10%029%0.293CS..EExtended strand (participates in β ladder)trans-124.1132.2176.6-58.3-65.6000108.4T36 L38 I41 S45 L54 Q58 I59 T62T36-I43 PolarHBondContact N-O 2.82Å; T36-I43 PolarHBondContact O-N 3.32Å; L38-I43 HydrophobicContact CB-CG1 4.04Å; L38-I43 HydrophobicContact CD2-CG1 4.31Å; I41-I43 HydrophobicContact CG2-CD1 4.04Å; I43-S45 PolarHBondContact O-N 3.14Å; I43-L54 HydrophobicContact CB-CD2 4.15Å; I43-L54 HydrophobicContact CG2-CB 3.95Å; I43-L54 HydrophobicContact CG2-CD2 3.96Å; I43-L54 HydrophobicContact CG2-CG 4.23Å; I43-Q58 HydrophobicContact CD1-CG 4.09Å; I43-I59 HydrophobicContact CD1-CG1 4.27Å; I43-I59 HydrophobicContact CG1-CG1 4.3Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; I43-I59 HydrophobicContact CG2-CG1 3.9Å; I43-T62 WeakPolarHBondContact CD1-OG1 2.98Å
44V94.6Very high91.5Very high13 Ų1347 Ų478%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-69.2133-179.9178.90000109.7V33 C55 L94 A97 A99V33-V44 HydrophobicContact CG1-CG1 3.85Å; V44-C55 PolarHBondContact O-N 3.39Å; V44-L94 HydrophobicContact CG1-CD2 3.94Å; V44-A97 HydrophobicContact CG1-CB 3.96Å; V44-A99 HydrophobicContact CB-CB 3.72Å; V44-A99 HydrophobicContact CG1-CB 4.15Å; V44-A99 HydrophobicContact CG2-CB 3.88Å
45S93.8Very high91.7Very high2 Ų245.6 Ų45.61%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-118.6159.717869.20000111.9G34 I43 E52 R53G34-S45 WeakPolarHBondContact CA-OG 3.28Å; G34-S45 PolarHBondContact N-O 2.86Å; G34-S45 PolarHBondContact O-N 3.1Å; G34-S45 PolarHBondContact O-OG 3.02Å; I43-S45 PolarHBondContact O-N 3.14Å; S45-E52 WeakPolarHBondContact CB-OE1 3.47Å; S45-E52 WeakPolarHBondContact OG-CG 3.46Å; S45-E52 PolarHBondContact OG-OE1 2.9Å; S45-R53 CarbonylContact C-O 3.51Å; S45-R53 VanDerWaalsContact CA-O 3.24Å; S45-R53 WeakPolarHBondContact CA-O 3.27Å
46L94.1Very high91.8Very high0 Ų040.2 Ų40.20%024%0.235CC..EExtended strand (participates in β ladder)trans-139.9134.9178.5-162.171.3000109N31 V33 I48 R53 Q90 I93 M109N31-L46 WeakPolarHBondContact O-CD1 3.5Å; V33-L46 HydrophobicContact CG2-CD1 3.87Å; L46-I48 HydrophobicContact CD2-CD1 4.31Å; L46-I48 HydrophobicContact CD2-CG1 4.31Å; L46-I48 HydrophobicContact CG-CG1 4.42Å; L46-I48 PolarHBondContact O-N 3.09Å; L46-R53 PolarHBondContact N-O 2.92Å; L46-R53 PolarHBondContact O-N 3Å; L46-Q90 HydrophobicContact CD2-CB 3.66Å; L46-Q90 HydrophobicContact CD2-CG 3.66Å; L46-I93 HydrophobicContact CD1-CG2 3.95Å; L46-M109 HydrophobicContact CB-CE 3.68Å
47V91.9Very high91.9Very high9 Ų940.9 Ų40.96%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-78.5113.7175.5-178.30000109.3L28 N31 Q32L28-V47 HydrophobicContact CB-CB 4.47Å; L28-V47 HydrophobicContact CB-CG1 3.74Å; L28-V47 HydrophobicContact CB-CG2 4.01Å; L28-V47 HydrophobicContact CD1-CG1 4.39Å; L28-V47 HydrophobicContact CD1-CG2 4.04Å; L28-V47 HydrophobicContact CG-CG2 4.46Å; N31-V47 WeakPolarHBondContact CA-O 3.34Å; N31-V47 PolarHBondContact N-O 2.89Å; Q32-V47 HydrophobicContact CB-CG2 4.23Å; Q32-V47 PolarHBondContact O-N 3.16Å
48I89.8Confident91.9Very high8 Ų838.3 Ų38.34%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-125.2125.6177-53-179.5000107.6L46 G50 Q51 V84 M109L46-I48 HydrophobicContact CD2-CD1 4.31Å; L46-I48 HydrophobicContact CD2-CG1 4.31Å; L46-I48 HydrophobicContact CG-CG1 4.42Å; L46-I48 PolarHBondContact O-N 3.09Å; I48-G50 VanDerWaalsContact C-N 3.25Å; I48-G50 PolarHBondContact O-N 2.92Å; I48-Q51 PolarHBondContact N-O 2.86Å; I48-Q51 PolarHBondContact O-N 2.82Å; I48-V84 HydrophobicContact CG2-CG1 4.43Å; I48-M109 HydrophobicContact CD1-CB 4.24Å; I48-M109 HydrophobicContact CD1-CE 4.5Å; I48-M109 HydrophobicContact CD1-CG 4.01Å
49D85.1Confident92Very high141 Ų14138.1 Ų38.175%0.75422%0.223SC*.THydrogen-bonded Turntrans54.638.7-177.7-45.4-37.6000113.3Q51D49-Q51 PolarHBondContact O-N 2.84Å
50G84.4Confident92.2Very high54 Ų5433.3 Ų33.356%0.55721%0.206SC*.THydrogen-bonded Turntrans74.6-1.6-175.900000115I48I48-G50 VanDerWaalsContact C-N 3.25Å; I48-G50 PolarHBondContact O-N 2.92Å
51Q88.2Confident92.4Very high95 Ų9535.4 Ų35.444%0.44420%0.202SC..EExtended strand (participates in β ladder)trans-111.8133.1-177.8-174.2168.464.300112I48 D49 R53 T111I48-Q51 PolarHBondContact N-O 2.86Å; I48-Q51 PolarHBondContact O-N 2.82Å; D49-Q51 PolarHBondContact O-N 2.84Å; Q51-R53 PolarHBondContact O-N 3.16Å; Q51-R53 VanDerWaalsContact OE1-NH2 3.16Å; Q51-T111 HydrophobicContact CG-CG2 4.11Å; Q51-T111 VanDerWaalsContact OE1-CG2 3.24Å
52E91.7Very high92.4Very high63 Ų6334.8 Ų34.829%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-68125.9173.2-172.1-173-170.700111.2T36 S45T36-E52 VanDerWaalsContact CB-OE1 3.32Å; T36-E52 WeakPolarHBondContact CB-OE1 3.48Å; T36-E52 PolarHBondContact OG1-OE1 2.99Å; T36-E52 PolarHBondContact OG1-OE2 3.08Å; S45-E52 WeakPolarHBondContact CB-OE1 3.47Å; S45-E52 WeakPolarHBondContact OG-CG 3.46Å; S45-E52 PolarHBondContact OG-OE1 2.9Å
53R95.1Very high92.3Very high28 Ų2833.1 Ų33.111%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-129.3142175.1-58.5-179-179.3-89.8-4.2111S45 L46 Q51 M109 I110 T111S45-R53 CarbonylContact C-O 3.51Å; S45-R53 VanDerWaalsContact CA-O 3.24Å; S45-R53 WeakPolarHBondContact CA-O 3.27Å; L46-R53 PolarHBondContact N-O 2.92Å; L46-R53 PolarHBondContact O-N 3Å; Q51-R53 PolarHBondContact O-N 3.16Å; Q51-R53 VanDerWaalsContact OE1-NH2 3.16Å; R53-M109 HydrophobicContact CB-CB 3.87Å; R53-M109 HydrophobicContact CB-CE 4.38Å; R53-M109 VanDerWaalsContact O-CE 3.27Å; R53-M109 WeakPolarHBondContact O-CE 3.16Å; R53-I110 CarbonylContact C-O 3.55Å; R53-I110 WeakPolarHBondContact CA-O 3.25Å; R53-T111 HydrophobicContact CG-CG2 4.36Å
54L95.5Very high92.1Very high0 Ų033.1 Ų33.10%019%0.189CC..EExtended strand (participates in β ladder)trans-101.1151.4-176.2-65.271.5000110.7T36 L38 I43 L56 I59 M109 I110 K112 A115T36-L54 HydrophobicContact CG2-CD1 4.43Å; T36-L54 HydrophobicContact CG2-CD2 3.86Å; T36-L54 HydrophobicContact CG2-CG 4.38Å; L38-L54 HydrophobicContact CD2-CD2 4.05Å; I43-L54 HydrophobicContact CB-CD2 4.15Å; I43-L54 HydrophobicContact CG2-CB 3.95Å; I43-L54 HydrophobicContact CG2-CD2 3.96Å; I43-L54 HydrophobicContact CG2-CG 4.23Å; L54-L56 PolarHBondContact O-N 2.88Å; L54-I59 HydrophobicContact CB-CD1 3.9Å; L54-I59 HydrophobicContact CD2-CD1 4.26Å; L54-M109 WeakPolarHBondContact O-CA 3.48Å; L54-I110 PolarHBondContact N-O 2.88Å; L54-I110 PolarHBondContact O-N 2.81Å; L54-I110 VanDerWaalsContact O-N 3.13Å; L54-K112 HydrophobicContact CD1-CB 3.96Å; L54-A115 HydrophobicContact CD2-CB 4.24Å
55C94.6Very high91.9Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-69.1110.8175.4-178.10000112.1V44 A57 Q58 I59 C107 M109V44-C55 PolarHBondContact O-N 3.39Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 2.97Å; C55-Q58 HydrophobicContact CB-CB 3.8Å; C55-Q58 PolarHBondContact O-N 2.93Å; C55-Q58 PolarHBondContact SG-N 3.44Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.48Å; C55-I59 VanDerWaalsContact O-N 3.09Å; C55-C107 PolarHBondContact SG-SG 3.1Å; C55-M109 HydrophobicContact CB-SD 4.39Å
56L94.8Very high91.6Very high23 Ų2346.3 Ų46.312%0.1225%0.252CS..Hα-helixtrans-62.2-33178.2175.758.9000112.5L54 I59 S60 G108 I110 L118L54-L56 PolarHBondContact O-N 2.88Å; L56-I59 PolarHBondContact O-N 3.3Å; L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3.21Å; L56-G108 WeakPolarHBondContact CB-O 3.13Å; L56-G108 PolarHBondContact N-O 2.74Å; L56-I110 HydrophobicContact CD1-CD1 4.01Å; L56-I110 HydrophobicContact CD2-CG2 4.48Å; L56-L118 HydrophobicContact CD1-CD2 3.63Å
57A93.4Very high91.3Very high28 Ų2850 Ų5023%0.23127%0.266CS..Hα-helixtrans-73.4-37.2178.800000112.2C55 S60 N61 M100C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 2.97Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.13Å; A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 3.41Å; A57-N61 PolarHBondContact O-OD1 3.24Å; A57-M100 HydrophobicContact CB-CE 3.92Å; A57-M100 HydrophobicContact CB-SD 3.42Å; A57-M100 WeakPolarHBondContact CB-SD 3.41Å
58Q94.3Very high91.1Very high32 Ų3251.9 Ų51.915%0.1528%0.28CS..Hα-helixtrans-62.1-43.8170.5-168.8-178.4500111I43 C55 S60 N61 T62I43-Q58 HydrophobicContact CD1-CG 4.09Å; C55-Q58 HydrophobicContact CB-CB 3.8Å; C55-Q58 PolarHBondContact O-N 2.93Å; C55-Q58 PolarHBondContact SG-N 3.44Å; Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.17Å; Q58-N61 PolarHBondContact O-N 3.16Å; Q58-T62 HydrophobicContact CG-CG2 4.44Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 WeakPolarHBondContact O-CG2 3.1Å; Q58-T62 PolarHBondContact O-N 3.5Å; Q58-T62 PolarHBondContact O-OG1 2.82Å
59I94.3Very high90.9Very high0 Ų059.3 Ų59.30%031%0.309CS..Hα-helixtrans-60.4-42174.1-65.3161.8000111.2L38 I43 L54 C55 L56 N61 T62 L63 L64 I110 A115L38-I59 HydrophobicContact CD2-CD1 4.08Å; L38-I59 HydrophobicContact CD2-CG1 4.05Å; I43-I59 HydrophobicContact CD1-CG1 4.27Å; I43-I59 HydrophobicContact CG1-CG1 4.3Å; I43-I59 HydrophobicContact CG2-CD1 4.36Å; I43-I59 HydrophobicContact CG2-CG1 3.9Å; L54-I59 HydrophobicContact CB-CD1 3.9Å; L54-I59 HydrophobicContact CD2-CD1 4.26Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.48Å; C55-I59 VanDerWaalsContact O-N 3.09Å; L56-I59 PolarHBondContact O-N 3.3Å; I59-N61 VanDerWaalsContact C-N 3.33Å; I59-N61 PolarHBondContact O-N 3.15Å; I59-T62 PolarHBondContact O-N 3.48Å; I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 3.1Å; I59-L63 VanDerWaalsContact O-N 3.14Å; I59-L64 HydrophobicContact CG2-CD1 4.29Å; I59-L64 PolarHBondContact O-N 3.34Å; I59-I110 HydrophobicContact CD1-CD1 4.23Å; I59-I110 HydrophobicContact CD1-CG1 4.34Å; I59-A115 HydrophobicContact CD1-CB 3.71Å
60S93Very high90.9Very high16 Ų1657.9 Ų57.911%0.11230%0.301CS..Hα-helixtrans-59.4-42.1176-166.10000112.2L56 A57 Q58 L64 K65 I72L56-S60 WeakPolarHBondContact O-CB 3.45Å; L56-S60 PolarHBondContact O-N 3.21Å; A57-S60 WeakPolarHBondContact O-CB 3.35Å; A57-S60 PolarHBondContact O-N 3.13Å; Q58-S60 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.17Å; S60-L64 CarbonylContact O-C 3.58Å; S60-K65 WeakPolarHBondContact O-CA 3.44Å; S60-K65 PolarHBondContact O-N 2.85Å; S60-K65 VanDerWaalsContact O-N 3.11Å; S60-I72 WeakPolarHBondContact OG-CD1 3.31Å
61N90.9Very high91.1Very high109 Ų10959.8 Ų59.858%0.58330%0.295SS*.Hα-helixtrans-86.4-14.2-174-64.2-6.9000113.7A57 Q58 I59A57-N61 WeakPolarHBondContact O-CB 3.47Å; A57-N61 PolarHBondContact O-N 3.41Å; A57-N61 PolarHBondContact O-OD1 3.24Å; Q58-N61 PolarHBondContact O-N 3.16Å; I59-N61 VanDerWaalsContact C-N 3.33Å; I59-N61 PolarHBondContact O-N 3.15Å
62T92.6Very high91.1Very high48 Ų4855.5 Ų55.529%0.29428%0.275SS..Hα-helixtrans-106-75.2-179.252.20000111.4I43 Q58 I59I43-T62 WeakPolarHBondContact CD1-OG1 2.98Å; Q58-T62 HydrophobicContact CG-CG2 4.44Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 WeakPolarHBondContact O-CG2 3.1Å; Q58-T62 PolarHBondContact O-N 3.5Å; Q58-T62 PolarHBondContact O-OG1 2.82Å; I59-T62 PolarHBondContact O-N 3.48Å
63L91.4Very high91Very high27 Ų2756.3 Ų56.314%0.14128%0.279CS..THydrogen-bonded Turntrans-74.8-29-173.9-70.4165.5000113.3L38 Y39 I41 I59L38-L63 HydrophobicContact CB-CD1 4.21Å; L38-L63 HydrophobicContact CD2-CD1 3.59Å; L38-L63 HydrophobicContact CG-CD1 3.69Å; Y39-L63 HydrophobicContact CD2-CD1 4.34Å; I41-L63 HydrophobicContact CB-CD2 4.35Å; I41-L63 HydrophobicContact CD1-CD2 3.62Å; I41-L63 HydrophobicContact CD1-CG 4.09Å; I41-L63 HydrophobicContact CG1-CD2 3.99Å; I59-L63 HydrophobicContact CG2-CD1 4.44Å; I59-L63 PolarHBondContact O-N 3.1Å; I59-L63 VanDerWaalsContact O-N 3.14Å
64L90.8Very high90.5Very high0 Ų060.1 Ų60.10%030%0.302CS..THydrogen-bonded Turntrans-116.118.8-174.2-60.2178.7000113.7I59 S60 N66 Y67 I72 L118 F122I59-L64 HydrophobicContact CG2-CD1 4.29Å; I59-L64 PolarHBondContact O-N 3.34Å; S60-L64 CarbonylContact O-C 3.58Å; L64-N66 PolarHBondContact O-N 3.34Å; L64-Y67 HydrophobicContact CB-CD2 4.14Å; L64-Y67 HydrophobicContact CD2-CD2 3.99Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.85Å; L64-I72 HydrophobicContact CB-CD1 3.76Å; L64-I72 HydrophobicContact CB-CG1 4.38Å; L64-I72 HydrophobicContact CD1-CD1 4.34Å; L64-I72 HydrophobicContact CD1-CG1 4.32Å; L64-I72 HydrophobicContact CD1-CG2 4.41Å; L64-L118 HydrophobicContact CD1-CD2 4.32Å; L64-L118 HydrophobicContact CD1-CG 4.15Å; L64-F122 HydrophobicContact CD1-CD2 3.78Å; L64-F122 HydrophobicContact CD1-CE2 4.04Å; L64-F122 HydrophobicContact CD2-CB 3.63Å; L64-F122 HydrophobicContact CD2-CD2 3.62Å; L64-F122 HydrophobicContact CD2-CG 3.83Å; L64-F122 HydrophobicContact CG-CD2 4.34Å
65K90.3Very high90.1Very high153 Ų15362.4 Ų62.467%0.66531%0.31SS*.THydrogen-bonded Turntrans-56.5-20.9-173.772.7-177.3-175.7175.50115.5S60S60-K65 WeakPolarHBondContact O-CA 3.44Å; S60-K65 PolarHBondContact O-N 2.85Å; S60-K65 VanDerWaalsContact O-N 3.11Å
66N87.1Confident89.9Confident138 Ų13864 Ų6474%0.73832%0.316SS*.THydrogen-bonded Turntrans-85.1-4.9179.3-64.5-1.5000113.5L64L64-N66 PolarHBondContact O-N 3.34Å
67Y87.8Confident89.6Confident77 Ų7766.8 Ų66.830%0.30233%0.334SS..SBendtrans-113.3143.5-177.8-55.5-80000110.9L64 F122L64-Y67 HydrophobicContact CB-CD2 4.14Å; L64-Y67 HydrophobicContact CD2-CD2 3.99Å; L64-Y67 HydrophobicContact CD2-CE2 4.08Å; L64-Y67 PolarHBondContact O-N 2.85Å; Y67-F122 AromaticContact CD1-CD1 3.56Å; Y67-F122 HydrophobicContact CD1-CD1 3.56Å; Y67-F122 AromaticContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD2-CB 4.28Å; Y67-F122 AromaticContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CE1 4.41Å; Y67-F122 HydrophobicContact CD2-CG 4.1Å; Y67-F122 HydrophobicContact CE1-CB 4.5Å; Y67-F122 AromaticContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CE1 4.24Å; Y67-F122 HydrophobicContact CE1-CG 4.43Å; Y67-F122 HydrophobicContact CE2-CB 3.72Å; Y67-F122 AromaticContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CG 4.01Å; Y67-F122 AromaticContact CG-CD1 3.71Å; Y67-F122 HydrophobicContact CG-CD1 3.71Å; Y67-F122 AromaticContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CG 4.36Å; Y67-F122 AromaticContact CZ-CD1 3.77Å; Y67-F122 PolarHBondContact OH-O 2.98Å
68S87.6Confident89Confident49 Ų4966.2 Ų66.234%0.34333%0.329SS..  trans-69151.117771.20000111.6N70 E71 I72S68-N70 PolarHBondContact O-N 3.41Å; S68-N70 VanDerWaalsContact O-N 3.07Å; S68-E71 WeakPolarHBondContact CB-OE2 3.38Å; S68-E71 PolarHBondContact N-OE2 3.13Å; S68-E71 PolarHBondContact O-N 2.94Å; S68-E71 WeakPolarHBondContact OG-CG 3.38Å; S68-E71 PolarHBondContact OG-N 3.19Å; S68-E71 PolarHBondContact OG-OE2 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.96Å
69Y85.8Confident88.5Confident165 Ų16566.7 Ų66.765%0.64733%0.333SS*.Hα-helixtrans-52.4-32.4172.6178.5-97.9000112.6H73Y69-H73 WeakPolarHBondContact O-CB 3.37Å; Y69-H73 PolarHBondContact O-N 3.26Å
70N86.2Confident88.1Confident110 Ų11069.6 Ų69.659%0.58836%0.362SS*.Hα-helixtrans-67.7-40.8176.6-68.1-37.6000112.4S68 N74S68-N70 PolarHBondContact O-N 3.41Å; S68-N70 VanDerWaalsContact O-N 3.07Å; N70-N74 WeakPolarHBondContact O-CB 3.49Å; N70-N74 VanDerWaalsContact O-CG 3.25Å; N70-N74 PolarHBondContact O-N 2.99Å; N70-N74 PolarHBondContact O-ND2 2.94Å
71E86.7Confident88Confident95 Ų9569.1 Ų69.144%0.44436%0.358SS..Hα-helixtrans-67.2-45.3174.8-70.7159.1108.100110.9S68 H73 N74 R75 F122S68-E71 WeakPolarHBondContact CB-OE2 3.38Å; S68-E71 PolarHBondContact N-OE2 3.13Å; S68-E71 PolarHBondContact O-N 2.94Å; S68-E71 WeakPolarHBondContact OG-CG 3.38Å; S68-E71 PolarHBondContact OG-N 3.19Å; S68-E71 PolarHBondContact OG-OE2 3.31Å; E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 2.93Å; E71-N74 PolarHBondContact O-N 2.89Å; E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 PolarHBondContact O-N 2.9Å; E71-F122 HydrophobicContact CB-CE1 4.31Å; E71-F122 HydrophobicContact CB-CZ 4.42Å
72I89.6Confident88Confident4 Ų468.1 Ų68.12%0.02136%0.356CS..Hα-helixtrans-59.8-44.7176.9-61.8171.3000110.4S60 L64 S68 R76 L118 F122S60-I72 WeakPolarHBondContact OG-CD1 3.31Å; L64-I72 HydrophobicContact CB-CD1 3.76Å; L64-I72 HydrophobicContact CB-CG1 4.38Å; L64-I72 HydrophobicContact CD1-CD1 4.34Å; L64-I72 HydrophobicContact CD1-CG1 4.32Å; L64-I72 HydrophobicContact CD1-CG2 4.41Å; S68-I72 WeakPolarHBondContact O-CG1 3.42Å; S68-I72 PolarHBondContact O-N 2.96Å; I72-R76 WeakPolarHBondContact O-CB 3.32Å; I72-R76 PolarHBondContact O-N 2.89Å; I72-L118 HydrophobicContact CG2-CD2 4.26Å; I72-F122 HydrophobicContact CB-CE2 4.46Å; I72-F122 HydrophobicContact CB-CZ 4.43Å; I72-F122 HydrophobicContact CG1-CE2 4.05Å; I72-F122 HydrophobicContact CG1-CZ 3.98Å
73H88.2Confident88Confident80 Ų8067.4 Ų67.437%0.3735%0.353SS..Hα-helixtrans-59.2-52.5173.8-178.197.4000112.1Y69 E71 R75 R76 V77Y69-H73 WeakPolarHBondContact O-CB 3.37Å; Y69-H73 PolarHBondContact O-N 3.26Å; E71-H73 VanDerWaalsContact C-N 3.33Å; E71-H73 PolarHBondContact O-N 2.93Å; H73-R75 PolarHBondContact O-N 3.23Å; H73-R76 PolarHBondContact O-N 2.83Å; H73-V77 WeakPolarHBondContact O-CG2 3.18Å; H73-V77 PolarHBondContact O-N 2.98Å
74N86.2Confident88.2Confident109 Ų10968.2 Ų68.258%0.58336%0.359SS*.Hα-helixtrans-60.8-44.1-179.8-77.4-46.9000111.9N70 E71 V77 A78N70-N74 WeakPolarHBondContact O-CB 3.49Å; N70-N74 VanDerWaalsContact O-CG 3.25Å; N70-N74 PolarHBondContact O-N 2.99Å; N70-N74 PolarHBondContact O-ND2 2.94Å; E71-N74 PolarHBondContact O-N 2.89Å; N74-V77 PolarHBondContact O-N 2.86Å; N74-A78 WeakPolarHBondContact O-CB 3.3Å; N74-A78 PolarHBondContact O-N 3Å
75R85.7Confident88.3Confident47 Ų4773.1 Ų73.118%0.17738%0.382CS..Hα-helixtrans-66.2-40.2179.8-172.176.9-79.4172.14111.7E71 H73 A78 L79 L118 S121 F122E71-R75 VanDerWaalsContact O-CB 3.25Å; E71-R75 WeakPolarHBondContact O-CB 3.35Å; E71-R75 PolarHBondContact O-N 2.9Å; H73-R75 PolarHBondContact O-N 3.23Å; R75-A78 WeakPolarHBondContact O-CB 3.16Å; R75-A78 PolarHBondContact O-N 3Å; R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 VanDerWaalsContact O-CG 3.32Å; R75-L79 WeakPolarHBondContact O-CG 3.34Å; R75-L79 PolarHBondContact O-N 3.26Å; R75-L118 HydrophobicContact CB-CD1 4.3Å; R75-L118 HydrophobicContact CG-CD1 4.12Å; R75-S121 VanDerWaalsContact CD-OG 3.31Å; R75-S121 WeakPolarHBondContact CD-OG 3.34Å; R75-S121 WeakPolarHBondContact CG-OG 3.44Å; R75-F122 HydrophobicContact CB-CE1 4.29Å; R75-F122 HydrophobicContact CB-CE2 3.69Å; R75-F122 HydrophobicContact CB-CZ 3.43Å; R75-F122 VanDerWaalsContact CB-CZ 3.43Å; R75-F122 HydrophobicContact CG-CD2 4.2Å; R75-F122 HydrophobicContact CG-CE1 4.34Å; R75-F122 HydrophobicContact CG-CE2 3.62Å; R75-F122 HydrophobicContact CG-CZ 3.7Å
76R92Very high88.4Confident33 Ų3366.8 Ų66.813%0.12536%0.357CS..Hα-helixtrans-61.6-49.8175.1-173.4-164.592.395.4-4.1112I72 H73 A78 L79 G80 I81 T82 C83 L118I72-R76 WeakPolarHBondContact O-CB 3.32Å; I72-R76 PolarHBondContact O-N 2.89Å; H73-R76 PolarHBondContact O-N 2.83Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.03Å; R76-L79 PolarHBondContact O-N 3.4Å; R76-G80 PolarHBondContact O-N 3.03Å; R76-I81 HydrophobicContact CG-CB 3.69Å; R76-I81 HydrophobicContact CG-CG2 3.6Å; R76-I81 PolarHBondContact NH1-O 2.87Å; R76-I81 PolarHBondContact O-N 2.83Å; R76-I81 VanDerWaalsContact O-N 3.11Å; R76-T82 PolarHBondContact NH1-O 3.01Å; R76-T82 VanDerWaalsContact NH1-O 3.08Å; R76-C83 VanDerWaalsContact CZ-SG 3.6Å; R76-C83 VanDerWaalsContact NH1-N 3.14Å; R76-C83 PolarHBondContact NH1-SG 2.86Å; R76-C83 PolarHBondContact NH2-SG 2.74Å; R76-L118 HydrophobicContact CB-CD1 4Å
77V88.1Confident88.7Confident83 Ų8363.4 Ų63.450%0.50334%0.341SS..Hα-helixtrans-60.6-43.81751720000110.6H73 N74 L79 G80H73-V77 WeakPolarHBondContact O-CG2 3.18Å; H73-V77 PolarHBondContact O-N 2.98Å; N74-V77 PolarHBondContact O-N 2.86Å; V77-L79 PolarHBondContact O-N 2.63Å; V77-G80 PolarHBondContact O-N 2.97Å
78A80.6Confident88.9Confident15 Ų1565 Ų6512%0.12436%0.361CS..Hα-helixtrans-61.5-26176.400000114.3N74 R75 R76 G229 G230N74-A78 WeakPolarHBondContact O-CB 3.3Å; N74-A78 PolarHBondContact O-N 3Å; R75-A78 WeakPolarHBondContact O-CB 3.16Å; R75-A78 PolarHBondContact O-N 3Å; R76-A78 VanDerWaalsContact C-N 3.33Å; R76-A78 PolarHBondContact O-N 3.03Å; A78-G229 WeakPolarHBondContact CA-O 3.31Å; A78-G229 VanDerWaalsContact CB-O 3.24Å; A78-G229 WeakPolarHBondContact CB-O 3.29Å; A78-G230 WeakPolarHBondContact O-CA 3.29Å
79L84.3Confident89.2Confident43 Ų4367.4 Ų67.423%0.22537%0.373CS..THydrogen-bonded Turntrans-88-4.8176.1-72.6171.2000113.6R75 R76 V77 I81 L118 S121R75-L79 HydrophobicContact CG-CD1 4.44Å; R75-L79 VanDerWaalsContact O-CG 3.32Å; R75-L79 WeakPolarHBondContact O-CG 3.34Å; R75-L79 PolarHBondContact O-N 3.26Å; R76-L79 PolarHBondContact O-N 3.4Å; V77-L79 PolarHBondContact O-N 2.63Å; L79-I81 VanDerWaalsContact C-N 3.27Å; L79-I81 HydrophobicContact CB-CD1 3.74Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.41Å; L79-L118 HydrophobicContact CD1-CB 4.5Å; L79-L118 HydrophobicContact CD1-CD1 4.16Å; L79-S121 WeakPolarHBondContact CD1-OG 3.28Å
80G85.7Confident89.5Confident60 Ų6060.3 Ų60.362%0.61935%0.346SS*.THydrogen-bonded Turntrans71.619.4-17300000113.7R76 V77 T82R76-G80 PolarHBondContact O-N 3.03Å; V77-G80 PolarHBondContact O-N 2.97Å; G80-T82 PolarHBondContact O-N 3.18Å
81I91.1Very high89.9Confident6 Ų655.5 Ų55.53%0.03132%0.32CS..  trans-75.9121.9-178.7-68.2169.8000109R76 L79 I110 E114 L118R76-I81 HydrophobicContact CG-CB 3.69Å; R76-I81 HydrophobicContact CG-CG2 3.6Å; R76-I81 PolarHBondContact NH1-O 2.87Å; R76-I81 PolarHBondContact O-N 2.83Å; R76-I81 VanDerWaalsContact O-N 3.11Å; L79-I81 VanDerWaalsContact C-N 3.27Å; L79-I81 HydrophobicContact CB-CD1 3.74Å; L79-I81 HydrophobicContact CB-CG1 3.83Å; L79-I81 HydrophobicContact CD1-CD1 3.7Å; L79-I81 HydrophobicContact CG-CD1 4.41Å; I81-I110 HydrophobicContact CG2-CB 4.45Å; I81-I110 HydrophobicContact CG2-CG2 3.94Å; I81-E114 HydrophobicContact CB-CG 4.49Å; I81-E114 HydrophobicContact CD1-CB 4.22Å; I81-E114 VanDerWaalsContact CD1-O 3.3Å; I81-E114 WeakPolarHBondContact CD1-O 3.11Å; I81-E114 HydrophobicContact CG1-CB 4.04Å; I81-E114 HydrophobicContact CG1-CG 4.07Å; I81-E114 HydrophobicContact CG2-CB 3.84Å; I81-E114 HydrophobicContact CG2-CG 4.08Å; I81-L118 HydrophobicContact CD1-CB 3.88Å; I81-L118 HydrophobicContact CD1-CD1 4.46Å
82T91.2Very high90.2Very high88 Ų8853.8 Ų53.854%0.5431%0.312SS..  trans-86.6168.4173.766.50000109.6R76 G80 I110 E114R76-T82 PolarHBondContact NH1-O 3.01Å; R76-T82 VanDerWaalsContact NH1-O 3.08Å; G80-T82 PolarHBondContact O-N 3.18Å; T82-I110 WeakPolarHBondContact O-CG2 3.4Å; T82-E114 PolarHBondContact N-OE1 2.75Å
83C92.6Very high90.4Very high34 Ų3455.6 Ų55.623%0.2332%0.322CS..  trans-139.8130.3167.157.10000109.3R76 M109 I110R76-C83 VanDerWaalsContact CZ-SG 3.6Å; R76-C83 VanDerWaalsContact NH1-N 3.14Å; R76-C83 PolarHBondContact NH1-SG 2.86Å; R76-C83 PolarHBondContact NH2-SG 2.74Å; C83-M109 WeakPolarHBondContact CA-O 3.38Å; C83-I110 HydrophobicContact CB-CG2 3.98Å
84V93.8Very high90.6Very high44 Ų4451.8 Ų51.827%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-73.6130.6165.3177.50000106.8I48 M109I48-V84 HydrophobicContact CG2-CG1 4.43Å; V84-M109 PolarHBondContact N-O 3.48Å; V84-M109 PolarHBondContact O-N 3.21Å
85Q94.1Very high91Very high102 Ų10249.8 Ų49.848%0.47729%0.288SS..EExtended strand (participates in β ladder)trans-78.2135.5171.4-67.3-65.7-6600108.5T87Q85-T87 PolarHBondContact O-N 3.39Å
86C92.1Very high91.4Very high21 Ų2156.7 Ų56.714%0.14231%0.314CS..PPolyproline II helixtrans-59.9138.5173.6-66.40000110.7Q90 L91 L94 C107 M109C86-Q90 HydrophobicContact CB-CB 4.01Å; C86-L91 HydrophobicContact CB-CB 4.13Å; C86-L94 VanDerWaalsContact SG-CD1 3.58Å; C86-C107 HydrophobicContact CB-CB 4.23Å; C86-C107 PolarHBondContact N-O 3.16Å; C86-C107 VanDerWaalsContact SG-CB 3.58Å; C86-M109 WeakPolarHBondContact SG-CG 3.32Å; C86-M109 VanDerWaalsContact SG-SD 3.65Å
87T94.2Very high91.3Very high66 Ų6657 Ų5741%0.40532%0.324SS..PPolyproline II helixtrans-65.3161.2160.173.30000109.9Q85 V89 Q90 L91Q85-T87 PolarHBondContact O-N 3.39Å; T87-V89 PolarHBondContact O-N 3.26Å; T87-Q90 PolarHBondContact O-N 2.62Å; T87-Q90 VanDerWaalsContact O-N 3.1Å; T87-Q90 VanDerWaalsContact OG1-CG 3.29Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.46Å; T87-Q90 PolarHBondContact OG1-N 3.18Å; T87-L91 PolarHBondContact O-N 2.85Å
88P92.1Very high91.3Very high112 Ų11256.1 Ų56.173%0.72733%0.332SS*.Hα-helixtrans-56.2-35.7177.8-27.436.3000113.4L91 E92P88-L91 PolarHBondContact O-N 2.64Å; P88-E92 WeakPolarHBondContact O-CB 3.45Å; P88-E92 PolarHBondContact O-N 2.69Å
89V92.8Very high91.7Very high99 Ų9955.8 Ų55.860%0.633%0.329SS*.Hα-helixtrans-66.6-44.6176.4-178.30000111.1T87 E92 I93T87-V89 PolarHBondContact O-N 3.26Å; V89-E92 PolarHBondContact O-N 2.96Å; V89-I93 HydrophobicContact CG1-CD1 4.11Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 2.94Å
90Q92.9Very high92.1Very high15 Ų1554.2 Ų54.27%0.0732%0.32CS..Hα-helixtrans-65.2-38.8177.3-67.5170.6-18.400112N31 L46 C86 T87 E92 I93 L94N31-Q90 VanDerWaalsContact OD1-CG 3.25Å; N31-Q90 WeakPolarHBondContact OD1-CG 3.49Å; N31-Q90 PolarHBondContact OD1-NE2 2.91Å; L46-Q90 HydrophobicContact CD2-CB 3.66Å; L46-Q90 HydrophobicContact CD2-CG 3.66Å; C86-Q90 HydrophobicContact CB-CB 4.01Å; T87-Q90 PolarHBondContact O-N 2.62Å; T87-Q90 VanDerWaalsContact O-N 3.1Å; T87-Q90 VanDerWaalsContact OG1-CG 3.29Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.46Å; T87-Q90 PolarHBondContact OG1-N 3.18Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; Q90-I93 PolarHBondContact O-N 2.96Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.84Å
91L93.7Very high92.2Very high10 Ų1054.5 Ų54.55%0.05231%0.311CS..Hα-helixtrans-64.1-40.5174.7-179.563.1000111.6C86 T87 P88 L94 R95 M100 C107C86-L91 HydrophobicContact CB-CB 4.13Å; T87-L91 PolarHBondContact O-N 2.85Å; P88-L91 PolarHBondContact O-N 2.64Å; L91-L94 PolarHBondContact O-N 2.58Å; L91-R95 WeakPolarHBondContact O-CG 3.34Å; L91-R95 PolarHBondContact O-N 2.88Å; L91-M100 HydrophobicContact CD1-CE 4.48Å; L91-C107 HydrophobicContact CD1-CB 3.7Å
92E93.2Very high92.1Very high59 Ų5961.1 Ų61.128%0.27635%0.345SS..Hα-helixtrans-67.3-37.5177-174.361.9-166.800112.4P88 V89 Q90 R95 R96P88-E92 WeakPolarHBondContact O-CB 3.45Å; P88-E92 PolarHBondContact O-N 2.69Å; V89-E92 PolarHBondContact O-N 2.96Å; Q90-E92 VanDerWaalsContact C-N 3.35Å; E92-R95 PolarHBondContact O-N 2.92Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-CZ 3.74Å; E92-R95 IonicContact OE2-NE 2.69Å; E92-R95 IonicContact OE2-NH1 2.73Å; E92-R95 PolarHBondContact OE2-NH1 3.11Å; E92-R96 VanDerWaalsContact CG-NH2 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.68Å; E92-R96 IonicContact OE1-NE 3.33Å; E92-R96 PolarHBondContact OE1-NE 3.24Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.36Å
93I93.7Very high92.2Very high42 Ų4261.6 Ų61.622%0.21535%0.352CS..Hα-helixtrans-61.5-45.8170.9-69.9165.4000110.7N31 V33 L46 V89 Q90 R95 R96 A97N31-I93 HydrophobicContact CB-CD1 4.22Å; V33-I93 HydrophobicContact CG2-CG2 3.23Å; L46-I93 HydrophobicContact CD1-CG2 3.95Å; V89-I93 HydrophobicContact CG1-CD1 4.11Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.27Å; V89-I93 PolarHBondContact O-N 2.94Å; Q90-I93 PolarHBondContact O-N 2.96Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 3.12Å; I93-R96 PolarHBondContact O-N 3.47Å; I93-A97 PolarHBondContact O-N 2.92Å
94L92.4Very high92.1Very high0 Ų061.5 Ų61.50%035%0.352CS..Hα-helixtrans-64.4-30.5177.4-72.3171.5000113.6V44 C86 Q90 L91 G98 A99 M100 C107 M109V44-L94 HydrophobicContact CG1-CD2 3.94Å; C86-L94 VanDerWaalsContact SG-CD1 3.58Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 2.84Å; L91-L94 PolarHBondContact O-N 2.58Å; L94-G98 PolarHBondContact O-N 3.19Å; L94-A99 HydrophobicContact CB-CB 4.38Å; L94-A99 HydrophobicContact CD2-CB 4.05Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.36Å; L94-M100 HydrophobicContact CB-CB 4.42Å; L94-M100 HydrophobicContact CB-CG 4.27Å; L94-M100 PolarHBondContact O-N 3.22Å; L94-C107 HydrophobicContact CD1-CB 4.45Å; L94-M109 HydrophobicContact CD1-CE 4.11Å; L94-M109 HydrophobicContact CD1-SD 3.76Å; L94-M109 HydrophobicContact CD2-CE 4.41Å
95R94.1Very high92Very high66 Ų6670 Ų7025%0.24938%0.38CS..Hα-helixtrans-66.3-45.3171.3-70.9168.6-177.6154.5-3111.7L91 E92 I93 A97 G98 M100 I102 S104L91-R95 WeakPolarHBondContact O-CG 3.34Å; L91-R95 PolarHBondContact O-N 2.88Å; E92-R95 PolarHBondContact O-N 2.92Å; E92-R95 WeakPolarHBondContact OE2-CD 3.49Å; E92-R95 IonicContact OE2-CZ 3.74Å; E92-R95 IonicContact OE2-NE 2.69Å; E92-R95 IonicContact OE2-NH1 2.73Å; E92-R95 PolarHBondContact OE2-NH1 3.11Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 3.12Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.28Å; R95-G98 PolarHBondContact O-N 3.36Å; R95-M100 WeakPolarHBondContact CA-O 3.16Å; R95-M100 HydrophobicContact CG-CB 4.41Å; R95-I102 PolarHBondContact NE-O 3.45Å; R95-I102 PolarHBondContact NH2-O 3.48Å; R95-S104 PolarHBondContact NH2-O 2.66Å
96R93.9Very high91.9Very high193 Ų19374.7 Ų74.773%0.72839%0.393SS*.Hα-helixtrans-67.6-28.8178.8-67.6173.7-166.6167.53.7112.7E92 I93 G98E92-R96 VanDerWaalsContact CG-NH2 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.39Å; E92-R96 PolarHBondContact O-N 3.45Å; E92-R96 VanDerWaalsContact O-N 3.14Å; E92-R96 IonicContact OE1-CZ 3.68Å; E92-R96 IonicContact OE1-NE 3.33Å; E92-R96 PolarHBondContact OE1-NE 3.24Å; E92-R96 IonicContact OE1-NH2 3.99Å; E92-R96 PolarHBondContact OE1-NH2 3.36Å; I93-R96 PolarHBondContact O-N 3.47Å; R96-G98 PolarHBondContact O-N 3.24Å
97A90.9Very high91.9Very high39 Ų3974 Ų7432%0.32239%0.388SS..THydrogen-bonded Turntrans-81.17.4170.800000114.1V33 V44 I93 R95 A99V33-A97 HydrophobicContact CG1-CB 4.27Å; V44-A97 HydrophobicContact CG1-CB 3.96Å; I93-A97 PolarHBondContact O-N 2.92Å; R95-A97 VanDerWaalsContact C-N 3.28Å; R95-A97 PolarHBondContact O-N 3.28Å; A97-A99 PolarHBondContact O-N 3.26Å
98G88.6Confident91.9Very high65 Ų6571.3 Ų71.367%0.6737%0.373SS*.THydrogen-bonded Turntrans70.3-4.1179.100000115.9L94 R95 R96 M100L94-G98 PolarHBondContact O-N 3.19Å; R95-G98 PolarHBondContact O-N 3.36Å; R96-G98 PolarHBondContact O-N 3.24Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 3.26Å
99A88.5Confident92Very high7 Ų766 Ų666%0.05834%0.339CS..SBendtrans-68.6-23.3-176.800000113.8V44 L94 A97V44-A99 HydrophobicContact CB-CB 3.72Å; V44-A99 HydrophobicContact CG1-CB 4.15Å; V44-A99 HydrophobicContact CG2-CB 3.88Å; L94-A99 HydrophobicContact CB-CB 4.38Å; L94-A99 HydrophobicContact CD2-CB 4.05Å; L94-A99 WeakPolarHBondContact O-CB 3.41Å; L94-A99 PolarHBondContact O-N 3.36Å; A97-A99 PolarHBondContact O-N 3.26Å
100M91.8Very high92.1Very high10 Ų1061.2 Ų61.25%0.04931%0.31CS..SBendtrans-138.9133.3-176.6-77-62.9-80.900111.8A57 L91 L94 R95 G98 S104 R106 C107A57-M100 HydrophobicContact CB-CE 3.92Å; A57-M100 HydrophobicContact CB-SD 3.42Å; A57-M100 WeakPolarHBondContact CB-SD 3.41Å; L91-M100 HydrophobicContact CD1-CE 4.48Å; L94-M100 HydrophobicContact CB-CB 4.42Å; L94-M100 HydrophobicContact CB-CG 4.27Å; L94-M100 PolarHBondContact O-N 3.22Å; R95-M100 WeakPolarHBondContact CA-O 3.16Å; R95-M100 HydrophobicContact CG-CB 4.41Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 3.26Å; M100-S104 WeakPolarHBondContact CE-OG 3.18Å; M100-R106 WeakPolarHBondContact CE-O 3.29Å; M100-C107 HydrophobicContact CE-CB 3.99Å
101P88.9Confident92.2Very high66 Ų6661.5 Ų61.543%0.42931%0.313SS..  trans-70.7148.6176.729.2-33000111.1S103 S104P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.12Å; P101-S104 WeakPolarHBondContact O-CB 3.36Å; P101-S104 PolarHBondContact O-N 3.18Å
102I89.5Confident92.1Very high145 Ų14564.8 Ų64.874%0.74433%0.327SS*.THydrogen-bonded Turntrans-53.6-37.5-174.4-58.6170.7000112.1R95 S104R95-I102 PolarHBondContact NE-O 3.45Å; R95-I102 PolarHBondContact NH2-O 3.48Å; I102-S104 PolarHBondContact O-N 3.03Å
103S92.3Very high92.1Very high99 Ų9971 Ų7169%0.69235%0.347SS*.THydrogen-bonded Turntrans-61.9-21.3177.355.70000115P101 R105P101-S103 PolarHBondContact O-N 3.07Å; P101-S103 VanDerWaalsContact O-N 3.12Å; S103-R105 PolarHBondContact O-N 2.93Å
104S90.7Very high92.1Very high32 Ų3270.2 Ų70.222%0.22434%0.343CS..  trans-71.8126.1-178.5-71.60000112.1R95 M100 P101 I102R95-S104 PolarHBondContact NH2-O 2.66Å; M100-S104 WeakPolarHBondContact CE-OG 3.18Å; P101-S104 WeakPolarHBondContact O-CB 3.36Å; P101-S104 PolarHBondContact O-N 3.18Å; I102-S104 PolarHBondContact O-N 3.03Å
105R91.6Very high92.2Very high223 Ų22370.2 Ų70.284%0.84234%0.343SS*.  trans-98-9.4-178.6-59.7-172.2-177.9-141.91.3114.7S103S103-R105 PolarHBondContact O-N 2.93Å
106R92.1Very high92.1Very high200 Ų20070.6 Ų70.676%0.75535%0.347SS*.  trans-146.6149.9-179.1-60.5-173.5-174.8-79.3-0.1110M100M100-R106 WeakPolarHBondContact CE-O 3.29Å
107C92.3Very high92Very high5 Ų567.7 Ų67.73%0.03434%0.336CS..  trans-145.1136.6172.81780000109.4C55 C86 L91 L94 M100C55-C107 PolarHBondContact SG-SG 3.1Å; C86-C107 HydrophobicContact CB-CB 4.23Å; C86-C107 PolarHBondContact N-O 3.16Å; C86-C107 VanDerWaalsContact SG-CB 3.58Å; L91-C107 HydrophobicContact CD1-CB 3.7Å; L94-C107 HydrophobicContact CD1-CB 4.45Å; M100-C107 HydrophobicContact CE-CB 3.99Å
108G93.8Very high92Very high10 Ų1065.8 Ų65.810%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-100.3137.4171.700000111.3L56L56-G108 WeakPolarHBondContact CB-O 3.13Å; L56-G108 PolarHBondContact N-O 2.74Å
109M94.3Very high92.2Very high0 Ų062.7 Ų62.70%029%0.289CS..EExtended strand (participates in β ladder)trans-113.5130.4-178.5-59.7-60.9-83.300110.3L46 I48 R53 L54 C55 C83 V84 C86 L94L46-M109 HydrophobicContact CB-CE 3.68Å; I48-M109 HydrophobicContact CD1-CB 4.24Å; I48-M109 HydrophobicContact CD1-CE 4.5Å; I48-M109 HydrophobicContact CD1-CG 4.01Å; R53-M109 HydrophobicContact CB-CB 3.87Å; R53-M109 HydrophobicContact CB-CE 4.38Å; R53-M109 VanDerWaalsContact O-CE 3.27Å; R53-M109 WeakPolarHBondContact O-CE 3.16Å; L54-M109 WeakPolarHBondContact O-CA 3.48Å; C55-M109 HydrophobicContact CB-SD 4.39Å; C83-M109 WeakPolarHBondContact CA-O 3.38Å; V84-M109 PolarHBondContact N-O 3.48Å; V84-M109 PolarHBondContact O-N 3.21Å; C86-M109 WeakPolarHBondContact SG-CG 3.32Å; C86-M109 VanDerWaalsContact SG-SD 3.65Å; L94-M109 HydrophobicContact CD1-CE 4.11Å; L94-M109 HydrophobicContact CD1-SD 3.76Å; L94-M109 HydrophobicContact CD2-CE 4.41Å
110I95.1Very high92.1Very high0 Ų069.5 Ų69.50%032%0.317CS..EExtended strand (participates in β ladder)trans-128.8150.8-179.164.6168.8000110.8R53 L54 L56 I59 I81 T82 C83 E114 A115 L118R53-I110 CarbonylContact C-O 3.55Å; R53-I110 WeakPolarHBondContact CA-O 3.25Å; L54-I110 PolarHBondContact N-O 2.88Å; L54-I110 PolarHBondContact O-N 2.81Å; L54-I110 VanDerWaalsContact O-N 3.13Å; L56-I110 HydrophobicContact CD1-CD1 4.01Å; L56-I110 HydrophobicContact CD2-CG2 4.48Å; I59-I110 HydrophobicContact CD1-CD1 4.23Å; I59-I110 HydrophobicContact CD1-CG1 4.34Å; I81-I110 HydrophobicContact CG2-CB 4.45Å; I81-I110 HydrophobicContact CG2-CG2 3.94Å; T82-I110 WeakPolarHBondContact O-CG2 3.4Å; C83-I110 HydrophobicContact CB-CG2 3.98Å; I110-E114 HydrophobicContact CB-CB 4.11Å; I110-E114 HydrophobicContact CD1-CB 4.39Å; I110-A115 HydrophobicContact CD1-CB 3.78Å; I110-A115 HydrophobicContact CG1-CB 4.21Å; I110-L118 HydrophobicContact CD1-CD2 4.33Å
111T94.6Very high91.8Very high20 Ų2070.3 Ų70.312%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-70.6160178.561.50000111.8Q51 R53 R113 E114 A115Q51-T111 HydrophobicContact CG-CG2 4.11Å; Q51-T111 VanDerWaalsContact OE1-CG2 3.24Å; R53-T111 HydrophobicContact CG-CG2 4.36Å; T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.45Å; T111-E114 WeakPolarHBondContact CB-OE2 3.21Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.49Å; T111-E114 PolarHBondContact N-OE2 3.18Å; T111-E114 WeakPolarHBondContact O-CB 3.18Å; T111-E114 PolarHBondContact O-N 3.45Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.02Å; T111-E114 PolarHBondContact OG1-N 3.3Å; T111-E114 PolarHBondContact OG1-OE2 3.14Å; T111-A115 PolarHBondContact O-N 2.99Å
112K92.3Very high91.7Very high80 Ų8068.6 Ų68.635%0.34831%0.31SS..Hα-helixtrans-52.1-45.7177.3-171.9176.2-174.6162.80112.6T36 L54 E114 A115 E116T36-K112 HydrophobicContact CG2-CD 3.75Å; T36-K112 HydrophobicContact CG2-CG 4.07Å; L54-K112 HydrophobicContact CD1-CB 3.96Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 2.66Å; K112-A115 WeakPolarHBondContact O-CB 3.44Å; K112-A115 PolarHBondContact O-N 3.49Å; K112-A115 VanDerWaalsContact O-N 3.14Å; K112-E116 VanDerWaalsContact CE-OE1 3.32Å; K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 WeakPolarHBondContact CG-OE1 3.13Å; K112-E116 WeakPolarHBondContact O-CG 3.24Å; K112-E116 PolarHBondContact O-N 3.02Å
113R92.3Very high91.3Very high189 Ų18966.2 Ų66.271%0.71330%0.298SS*.Hα-helixtrans-62-34.7177.2-174.8-178.6-66.9-153.80.5113T111 R117T111-R113 VanDerWaalsContact C-N 3.28Å; T111-R113 PolarHBondContact O-N 3.45Å; R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 WeakPolarHBondContact O-CD 3.39Å; R113-R117 WeakPolarHBondContact O-CG 3.25Å; R113-R117 PolarHBondContact O-N 3.24Å
114E94.4Very high90.2Very high25 Ų2563 Ų6312%0.11728%0.281CS..Hα-helixtrans-72.3-40.8174.2-71.3169.7118.200111.1I81 T82 I110 T111 K112 R117 L118I81-E114 HydrophobicContact CB-CG 4.49Å; I81-E114 HydrophobicContact CD1-CB 4.22Å; I81-E114 VanDerWaalsContact CD1-O 3.3Å; I81-E114 WeakPolarHBondContact CD1-O 3.11Å; I81-E114 HydrophobicContact CG1-CB 4.04Å; I81-E114 HydrophobicContact CG1-CG 4.07Å; I81-E114 HydrophobicContact CG2-CB 3.84Å; I81-E114 HydrophobicContact CG2-CG 4.08Å; T82-E114 PolarHBondContact N-OE1 2.75Å; I110-E114 HydrophobicContact CB-CB 4.11Å; I110-E114 HydrophobicContact CD1-CB 4.39Å; T111-E114 WeakPolarHBondContact CB-OE2 3.21Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.49Å; T111-E114 PolarHBondContact N-OE2 3.18Å; T111-E114 WeakPolarHBondContact O-CB 3.18Å; T111-E114 PolarHBondContact O-N 3.45Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.02Å; T111-E114 PolarHBondContact OG1-N 3.3Å; T111-E114 PolarHBondContact OG1-OE2 3.14Å; K112-E114 VanDerWaalsContact C-N 3.31Å; K112-E114 PolarHBondContact O-N 2.66Å; E114-R117 PolarHBondContact O-N 2.88Å; E114-L118 WeakPolarHBondContact O-CB 3.11Å; E114-L118 PolarHBondContact O-N 3.02Å
115A94.4Very high88.3Confident0 Ų066 Ų660%031%0.307CS..Hα-helixtrans-63.6-45.7177.700000112.4L38 L54 I59 I110 T111 K112 R117 L118 C119L38-A115 HydrophobicContact CD1-CB 4.43Å; L38-A115 HydrophobicContact CD2-CB 3.71Å; L54-A115 HydrophobicContact CD2-CB 4.24Å; I59-A115 HydrophobicContact CD1-CB 3.71Å; I110-A115 HydrophobicContact CD1-CB 3.78Å; I110-A115 HydrophobicContact CG1-CB 4.21Å; T111-A115 PolarHBondContact O-N 2.99Å; K112-A115 WeakPolarHBondContact O-CB 3.44Å; K112-A115 PolarHBondContact O-N 3.49Å; K112-A115 VanDerWaalsContact O-N 3.14Å; A115-R117 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 2.97Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.44Å; A115-C119 PolarHBondContact O-SG 2.81Å
116E91.8Very high86.4Confident74 Ų7460.3 Ų60.335%0.34629%0.29SS..Hα-helixtrans-57.2-47.9172.9-71.5165.5176.300111.5L38 Y39 K112 L118 C119 K120L38-E116 HydrophobicContact CD1-CG 3.63Å; Y39-E116 PolarHBondContact OH-O 3.36Å; K112-E116 VanDerWaalsContact CE-OE1 3.32Å; K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 HydrophobicContact CG-CG 4.49Å; K112-E116 WeakPolarHBondContact CG-OE1 3.13Å; K112-E116 WeakPolarHBondContact O-CG 3.24Å; K112-E116 PolarHBondContact O-N 3.02Å; E116-L118 PolarHBondContact O-N 3.24Å; E116-C119 PolarHBondContact O-N 3.26Å; E116-K120 WeakPolarHBondContact O-CB 3.29Å; E116-K120 PolarHBondContact O-N 2.96Å
117R91.5Very high84.3Confident132 Ų13254.5 Ų54.550%0.49828%0.28SS..Hα-helixtrans-65.3-37.6178.7-72.817471.3-156.3-1.5112.6R113 E114 A115 S121R113-R117 WeakPolarHBondContact O-CB 3.49Å; R113-R117 WeakPolarHBondContact O-CD 3.39Å; R113-R117 WeakPolarHBondContact O-CG 3.25Å; R113-R117 PolarHBondContact O-N 3.24Å; E114-R117 PolarHBondContact O-N 2.88Å; A115-R117 PolarHBondContact O-N 3.45Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.07Å
118L92Very high82.4Confident0 Ų056.8 Ų56.80%030%0.295CS..Hα-helixtrans-65.2-52.8176-174.560.7000110.8L56 L64 I72 R75 R76 L79 I81 I110 E114 A115 E116 K120 S121 F122L56-L118 HydrophobicContact CD1-CD2 3.63Å; L64-L118 HydrophobicContact CD1-CD2 4.32Å; L64-L118 HydrophobicContact CD1-CG 4.15Å; I72-L118 HydrophobicContact CG2-CD2 4.26Å; R75-L118 HydrophobicContact CB-CD1 4.3Å; R75-L118 HydrophobicContact CG-CD1 4.12Å; R76-L118 HydrophobicContact CB-CD1 4Å; L79-L118 HydrophobicContact CD1-CB 4.5Å; L79-L118 HydrophobicContact CD1-CD1 4.16Å; I81-L118 HydrophobicContact CD1-CB 3.88Å; I81-L118 HydrophobicContact CD1-CD1 4.46Å; I110-L118 HydrophobicContact CD1-CD2 4.33Å; E114-L118 WeakPolarHBondContact O-CB 3.11Å; E114-L118 PolarHBondContact O-N 3.02Å; A115-L118 PolarHBondContact O-N 2.97Å; E116-L118 PolarHBondContact O-N 3.24Å; L118-K120 PolarHBondContact O-N 3.26Å; L118-S121 PolarHBondContact O-N 3.45Å; L118-S121 VanDerWaalsContact O-N 3.1Å; L118-S121 PolarHBondContact O-OG 3.33Å; L118-F122 HydrophobicContact CD1-CD2 4.48Å; L118-F122 HydrophobicContact CD1-CE2 3.96Å; L118-F122 HydrophobicContact CG-CE2 4.44Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å
119C91.8Very high80.4Confident0 Ų060.2 Ų60.20%032%0.315CS..Hα-helixtrans-63.6-43.8-179.2-59.80000111.7Y39 A115 E116 S121 F122 L123Y39-C119 HydrophobicContact CD2-CB 4.02Å; Y39-C119 HydrophobicContact CE2-CB 3.5Å; Y39-C119 VanDerWaalsContact CE2-CB 3.5Å; A115-C119 WeakPolarHBondContact O-CB 3.48Å; A115-C119 PolarHBondContact O-N 3.44Å; A115-C119 PolarHBondContact O-SG 2.81Å; E116-C119 PolarHBondContact O-N 3.26Å; C119-S121 PolarHBondContact O-N 2.77Å; C119-S121 VanDerWaalsContact O-N 3.16Å; C119-F122 PolarHBondContact O-N 2.95Å; C119-L123 HydrophobicContact CB-CD1 4.27Å; C119-L123 WeakPolarHBondContact O-CB 3.48Å; C119-L123 WeakPolarHBondContact O-CG 3.2Å; C119-L123 PolarHBondContact O-N 3.48Å
120K87.3Confident78.4Confident149 Ų14969.6 Ų69.665%0.64836%0.356SS*.Hα-helixtrans-61.1-23.3175.1-169.5165.7-177.1170.60113.5E116 L118 F122 G124E116-K120 WeakPolarHBondContact O-CB 3.29Å; E116-K120 PolarHBondContact O-N 2.96Å; L118-K120 PolarHBondContact O-N 3.26Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-G124 VanDerWaalsContact O-CA 3.29Å; K120-G124 WeakPolarHBondContact O-CA 3.46Å; K120-G124 PolarHBondContact O-N 2.89Å
121S85.2Confident76.8Confident27 Ų2772 Ų7219%0.18937%0.369CS..Hα-helixtrans-83.4-6.5176.476.90000115R75 L79 R117 L118 C119R75-S121 VanDerWaalsContact CD-OG 3.31Å; R75-S121 WeakPolarHBondContact CD-OG 3.34Å; R75-S121 WeakPolarHBondContact CG-OG 3.44Å; L79-S121 WeakPolarHBondContact CD1-OG 3.28Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.07Å; L118-S121 PolarHBondContact O-N 3.45Å; L118-S121 VanDerWaalsContact O-N 3.1Å; L118-S121 PolarHBondContact O-OG 3.33Å; C119-S121 PolarHBondContact O-N 2.77Å; C119-S121 VanDerWaalsContact O-N 3.16Å
122F85.9Confident75.6Confident30 Ų3075.5 Ų75.513%0.13239%0.392CS..Hα-helixtrans-108.4-45.3171.8-78.5-68.6000111.8L64 Y67 E71 I72 R75 L118 C119 K120L64-F122 HydrophobicContact CD1-CD2 3.78Å; L64-F122 HydrophobicContact CD1-CE2 4.04Å; L64-F122 HydrophobicContact CD2-CB 3.63Å; L64-F122 HydrophobicContact CD2-CD2 3.62Å; L64-F122 HydrophobicContact CD2-CG 3.83Å; L64-F122 HydrophobicContact CG-CD2 4.34Å; Y67-F122 AromaticContact CD1-CD1 3.56Å; Y67-F122 HydrophobicContact CD1-CD1 3.56Å; Y67-F122 AromaticContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD1-CE1 3.78Å; Y67-F122 HydrophobicContact CD2-CB 4.28Å; Y67-F122 AromaticContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CD1 3.89Å; Y67-F122 HydrophobicContact CD2-CE1 4.41Å; Y67-F122 HydrophobicContact CD2-CG 4.1Å; Y67-F122 HydrophobicContact CE1-CB 4.5Å; Y67-F122 AromaticContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CD1 3.58Å; Y67-F122 HydrophobicContact CE1-CE1 4.24Å; Y67-F122 HydrophobicContact CE1-CG 4.43Å; Y67-F122 HydrophobicContact CE2-CB 3.72Å; Y67-F122 AromaticContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CD1 3.93Å; Y67-F122 HydrophobicContact CE2-CG 4.01Å; Y67-F122 AromaticContact CG-CD1 3.71Å; Y67-F122 HydrophobicContact CG-CD1 3.71Å; Y67-F122 AromaticContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CE1 3.87Å; Y67-F122 HydrophobicContact CG-CG 4.36Å; Y67-F122 AromaticContact CZ-CD1 3.77Å; Y67-F122 PolarHBondContact OH-O 2.98Å; E71-F122 HydrophobicContact CB-CE1 4.31Å; E71-F122 HydrophobicContact CB-CZ 4.42Å; I72-F122 HydrophobicContact CB-CE2 4.46Å; I72-F122 HydrophobicContact CB-CZ 4.43Å; I72-F122 HydrophobicContact CG1-CE2 4.05Å; I72-F122 HydrophobicContact CG1-CZ 3.98Å; R75-F122 HydrophobicContact CB-CE1 4.29Å; R75-F122 HydrophobicContact CB-CE2 3.69Å; R75-F122 HydrophobicContact CB-CZ 3.43Å; R75-F122 VanDerWaalsContact CB-CZ 3.43Å; R75-F122 HydrophobicContact CG-CD2 4.2Å; R75-F122 HydrophobicContact CG-CE1 4.34Å; R75-F122 HydrophobicContact CG-CE2 3.62Å; R75-F122 HydrophobicContact CG-CZ 3.7Å; L118-F122 HydrophobicContact CD1-CD2 4.48Å; L118-F122 HydrophobicContact CD1-CE2 3.96Å; L118-F122 HydrophobicContact CG-CE2 4.44Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å; C119-F122 PolarHBondContact O-N 2.95Å; K120-F122 VanDerWaalsContact C-N 3.33Å
123L82.3Confident74.2Confident96 Ų9679.6 Ų79.650%0.50341%0.412SS..Hα-helixtrans-81.1-22.5-179.1-58.3174.2000113C119C119-L123 HydrophobicContact CB-CD1 4.27Å; C119-L123 WeakPolarHBondContact O-CB 3.48Å; C119-L123 WeakPolarHBondContact O-CG 3.2Å; C119-L123 PolarHBondContact O-N 3.48Å
124G68.9Low73Confident32 Ų3278.3 Ų78.333%0.3342%0.419SS..SBendtrans-73.7135.1170.700000110.5K120 H126K120-G124 VanDerWaalsContact O-CA 3.29Å; K120-G124 WeakPolarHBondContact O-CA 3.46Å; K120-G124 PolarHBondContact O-N 2.89Å; G124-H126 PolarHBondContact O-N 3.27Å
125A50.2Low72.5Confident93 Ų9379.7 Ų79.777%0.76943%0.425SS*.  trans-58.397.7-173.300000112.8
126H52.2Low72.1Confident104 Ų10481.3 Ų81.348%0.48144%0.439SS..  trans-93.429.5167.4-157.7-60.8000111.2G124 P128G124-H126 PolarHBondContact O-N 3.27Å; H126-P128 WeakPolarHBondContact O-CD 3.49Å
127S48.2Very low71.9Confident78 Ų7877.9 Ų77.955%0.54542%0.423SS..PPolyproline II helixtrans-63.5120.6154510000107.5
128P52.9Low72Confident54 Ų5473.6 Ų73.635%0.35141%0.409SS..PPolyproline II helixtrans-60.1164.8164.528.6-34.1000109.9H126 K130 M226H126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-K130 PolarHBondContact O-N 2.86Å; P128-K130 VanDerWaalsContact O-N 3.08Å; P128-M226 HydrophobicContact CB-CE 3.88Å; P128-M226 HydrophobicContact CB-SD 3.62Å; P128-M226 HydrophobicContact CG-CE 3.7Å; P128-M226 HydrophobicContact CG-SD 3.99Å
129P51.6Low72Confident81 Ų8173.6 Ų73.653%0.52641%0.409SS..PPolyproline II helixtrans-48.7123.1160.223.3-33.4000108.3L131P129-L131 PolarHBondContact O-N 2.85Å
130K51.5Low72Confident197 Ų19774.7 Ų74.786%0.85742%0.417SS*.  trans-73.282.2-177.4-72.9-173.1179.5-178.20109.4P128P128-K130 PolarHBondContact O-N 2.86Å; P128-K130 VanDerWaalsContact O-N 3.08Å
131L61.5Low72.1Confident51 Ų5167.8 Ų67.827%0.26739%0.387SS..  trans-49.8142160-63.3168000108.5P129 E133 F135 F137 P153 A219P129-L131 PolarHBondContact O-N 2.85Å; L131-E133 PolarHBondContact O-N 2.86Å; L131-F135 HydrophobicContact CB-CB 4.33Å; L131-F135 HydrophobicContact CB-CD1 4.22Å; L131-F135 HydrophobicContact CB-CG 4.46Å; L131-F135 HydrophobicContact CD1-CD1 4.06Å; L131-F135 HydrophobicContact CD1-CE1 4.32Å; L131-F135 HydrophobicContact CD2-CD1 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.41Å; L131-F135 HydrophobicContact CG-CD1 4.44Å; L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CD1-CZ 3.53Å; L131-P153 HydrophobicContact CD1-CG 4.18Å; L131-A219 HydrophobicContact CD1-CB 4.32Å; L131-A219 HydrophobicContact CD2-CB 3.98Å
132P69.5Low72.2Confident93 Ų9371.2 Ų71.260%0.60440%0.4SS*.  trans-50.6143.2179.5-27.934.7000111.6N134 F135P132-N134 PolarHBondContact O-N 3.01Å; P132-F135 HydrophobicContact CB-CB 4.28Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å
133E62.5Low72.3Confident166 Ų16670.4 Ų70.478%0.77640%0.398SS*.THydrogen-bonded Turntrans-61-25.6-170-168.5167.3-177.600113.7L131 A154L131-E133 PolarHBondContact O-N 2.86Å; E133-A154 HydrophobicContact CG-CB 4.36Å
134N68.1Low72.5Confident163 Ų16366.5 Ų66.587%0.87238%0.38SS*.THydrogen-bonded Turntrans-90.5-1.3175-63.7-56.5000114.4P132P132-N134 PolarHBondContact O-N 3.01Å
135F82.2Confident73.2Confident53 Ų5368.8 Ų68.823%0.23238%0.378CS..  trans-71.5136.7-179.1-174-92.9000111.3L131 P132 F137 P153 I216L131-F135 HydrophobicContact CB-CB 4.33Å; L131-F135 HydrophobicContact CB-CD1 4.22Å; L131-F135 HydrophobicContact CB-CG 4.46Å; L131-F135 HydrophobicContact CD1-CD1 4.06Å; L131-F135 HydrophobicContact CD1-CE1 4.32Å; L131-F135 HydrophobicContact CD2-CD1 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.41Å; L131-F135 HydrophobicContact CG-CD1 4.44Å; P132-F135 HydrophobicContact CB-CB 4.28Å; P132-F135 WeakPolarHBondContact O-CB 3.35Å; P132-F135 PolarHBondContact O-N 2.84Å; F135-F137 HydrophobicContact CD1-CD2 4.44Å; F135-F137 HydrophobicContact CD1-CE2 4.28Å; F135-F137 HydrophobicContact CD1-CZ 4.5Å; F135-F137 AromaticContact CE1-CD1 3.86Å; F135-F137 HydrophobicContact CE1-CD1 3.86Å; F135-F137 AromaticContact CE1-CD2 4Å; F135-F137 HydrophobicContact CE1-CD2 4Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 AromaticContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CG 4Å; F135-F137 AromaticContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CZ-CD1 4.39Å; F135-F137 HydrophobicContact CZ-CE1 4.35Å; F135-P153 VanDerWaalsContact O-CD 3.28Å; F135-P153 WeakPolarHBondContact O-CD 3.44Å; F135-I216 HydrophobicContact CE2-CD1 4.15Å; F135-I216 HydrophobicContact CZ-CD1 4.01Å; F135-I216 HydrophobicContact CZ-CG1 4.15Å; F135-I216 HydrophobicContact CZ-CG2 4.19Å
136A87Confident75Confident35 Ų3564.8 Ų64.829%0.28935%0.347SS..  trans-137.3136.6175.800000110.5N150 F151 I152A136-N150 HydrophobicContact CB-CB 4.14Å; A136-F151 CarbonylContact C-O 3.59Å; A136-F151 VanDerWaalsContact CA-O 3.23Å; A136-F151 WeakPolarHBondContact CA-O 3.39Å; A136-F151 WeakPolarHBondContact CB-O 3.21Å; A136-I152 HydrophobicContact CB-CG1 4.06Å
137F88.6Confident76.9Confident2 Ų260.1 Ų60.11%0.00933%0.326CS..EExtended strand (participates in β ladder)trans-80.7123.2171.9-62.2-89.5000109.2L131 F135 V139 N150 F151 P153 L207 I216 A219 W220 V223L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CD1-CZ 3.53Å; F135-F137 HydrophobicContact CD1-CD2 4.44Å; F135-F137 HydrophobicContact CD1-CE2 4.28Å; F135-F137 HydrophobicContact CD1-CZ 4.5Å; F135-F137 AromaticContact CE1-CD1 3.86Å; F135-F137 HydrophobicContact CE1-CD1 3.86Å; F135-F137 AromaticContact CE1-CD2 4Å; F135-F137 HydrophobicContact CE1-CD2 4Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 AromaticContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CE2 3.88Å; F135-F137 HydrophobicContact CE1-CG 4Å; F135-F137 AromaticContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CE1-CZ 3.78Å; F135-F137 HydrophobicContact CZ-CD1 4.39Å; F135-F137 HydrophobicContact CZ-CE1 4.35Å; F137-V139 HydrophobicContact CB-CG1 3.92Å; F137-V139 PolarHBondContact O-N 2.99Å; F137-N150 CarbonylContact O-C 3.52Å; F137-N150 WeakPolarHBondContact O-CA 3.43Å; F137-F151 HydrophobicContact CB-CB 4.35Å; F137-F151 HydrophobicContact CD2-CD1 4.14Å; F137-F151 PolarHBondContact N-O 3.48Å; F137-F151 PolarHBondContact O-N 2.85Å; F137-P153 HydrophobicContact CD2-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 3.65Å; F137-L207 HydrophobicContact CB-CD2 3.93Å; F137-L207 HydrophobicContact CD1-CD2 3.82Å; F137-L207 HydrophobicContact CG-CD2 4.31Å; F137-I216 HydrophobicContact CD1-CG2 3.94Å; F137-I216 HydrophobicContact CE1-CG2 3.95Å; F137-I216 WeakPolarHBondContact CE1-O 3.41Å; F137-A219 HydrophobicContact CE1-CB 4.09Å; F137-A219 HydrophobicContact CZ-CB 3.82Å; F137-W220 HydrophobicContact CB-CE3 4.1Å; F137-W220 HydrophobicContact CB-CZ3 4.36Å; F137-W220 HydrophobicContact CD1-CB 3.95Å; F137-W220 HydrophobicContact CD1-CD2 4.49Å; F137-W220 HydrophobicContact CD1-CE3 4.06Å; F137-W220 HydrophobicContact CD1-CG 4.49Å; F137-W220 AromaticContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CZ3 4.35Å; F137-W220 HydrophobicContact CE1-CB 3.72Å; F137-W220 HydrophobicContact CE1-CE3 4.43Å; F137-W220 HydrophobicContact CE2-CE3 4.34Å; F137-W220 AromaticContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CZ3 4.37Å; F137-W220 HydrophobicContact CZ-CB 4.41Å; F137-V223 HydrophobicContact CE2-CG2 3.85Å; F137-V223 HydrophobicContact CZ-CG2 4.2Å
138D91.9Very high79.1Confident41 Ų4161.7 Ų61.722%0.21932%0.319CS..EExtended strand (participates in β ladder)trans-72.7112.3166.9178.216.3000108.9R148 L207 S208D138-R148 WeakPolarHBondContact OD1-CG 3.44Å; D138-R148 IonicContact OD1-CZ 3.82Å; D138-R148 IonicContact OD1-NE 3.14Å; D138-R148 PolarHBondContact OD1-NE 3.48Å; D138-R148 IonicContact OD1-NH2 3.87Å; D138-R148 IonicContact OD2-CZ 3.21Å; D138-R148 VanDerWaalsContact OD2-CZ 3.28Å; D138-R148 IonicContact OD2-NE 2.72Å; D138-R148 PolarHBondContact OD2-NE 2.84Å; D138-R148 VanDerWaalsContact OD2-NE 3.14Å; D138-R148 IonicContact OD2-NH2 2.65Å; D138-R148 PolarHBondContact OD2-NH2 3.28Å; D138-L207 WeakPolarHBondContact O-CA 3.2Å; D138-S208 PolarHBondContact O-N 3.09Å; D138-S208 WeakPolarHBondContact OD1-CB 3.44Å
139V92.1Very high81Confident0 Ų059.1 Ų59.10%030%0.303CS..EExtended strand (participates in β ladder)trans-124.8145.8-171.2-67.60000111.8F137 R148 G149 F151 I164 L205 K206 L207 W220F137-V139 HydrophobicContact CB-CG1 3.92Å; F137-V139 PolarHBondContact O-N 2.99Å; V139-R148 CarbonylContact O-C 3.58Å; V139-R148 WeakPolarHBondContact O-CA 3.42Å; V139-G149 WeakPolarHBondContact CG2-O 3.48Å; V139-G149 PolarHBondContact N-O 3.17Å; V139-G149 PolarHBondContact O-N 3.31Å; V139-G149 VanDerWaalsContact O-O 3.06Å; V139-F151 HydrophobicContact CG1-CB 4.23Å; V139-F151 HydrophobicContact CG2-CB 3.88Å; V139-I164 HydrophobicContact CG2-CG2 4.22Å; V139-L205 HydrophobicContact CB-CD1 3.75Å; V139-L205 HydrophobicContact CB-CD2 4.4Å; V139-L205 HydrophobicContact CB-CG 3.96Å; V139-L205 HydrophobicContact CG1-CG 4.43Å; V139-L205 HydrophobicContact CG2-CD1 3.84Å; V139-L205 HydrophobicContact CG2-CD2 4.23Å; V139-L205 HydrophobicContact CG2-CG 4.23Å; V139-K206 CarbonylContact C-O 3.31Å; V139-K206 WeakPolarHBondContact CA-O 3.33Å; V139-K206 WeakPolarHBondContact CB-O 3.28Å; V139-L207 HydrophobicContact CG1-CD2 4.13Å; V139-W220 HydrophobicContact CG1-CE3 4.4Å; V139-W220 HydrophobicContact CG1-CH2 3.64Å; V139-W220 HydrophobicContact CG1-CZ2 3.76Å; V139-W220 HydrophobicContact CG1-CZ3 3.97Å
140S91.8Very high83Confident23 Ų2358.4 Ų58.416%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-138.7155.9177.461.40000112.6S147 K206S140-S147 CarbonylContact C-O 3.5Å; S140-S147 WeakPolarHBondContact CA-O 3.37Å; S140-S147 VanDerWaalsContact CB-O 3.32Å; S140-S147 WeakPolarHBondContact CB-O 3.39Å; S140-K206 PolarHBondContact N-O 3.43Å; S140-K206 PolarHBondContact O-N 2.95Å
141H90.3Very high84.9Confident5 Ų549 Ų492%0.02325%0.254CS..EExtended strand (participates in β ladder)trans-129.7153.4169.773.682.4000110.4C143 G146 S147 F178 H204H141-C143 PolarHBondContact CE1-O 3.32Å; H141-C143 VanDerWaalsContact CE1-O 3.24Å; H141-C143 PolarHBondContact ND1-N 2.94Å; H141-C143 PolarHBondContact ND1-O 3.47Å; H141-G146 CarbonylContact O-C 3.58Å; H141-G146 WeakPolarHBondContact O-CA 3.5Å; H141-S147 PolarHBondContact N-O 2.95Å; H141-S147 WeakPolarHBondContact NE2-CB 3.31Å; H141-S147 PolarHBondContact O-N 2.78Å; H141-F178 AromaticContact CD2-CD1 3.88Å; H141-F178 AromaticContact CD2-CE1 3.73Å; H141-F178 PolarHBondContact NE2-O 3.47Å; H141-H204 WeakPolarHBondContact CA-O 3.14Å; H141-H204 WeakPolarHBondContact CB-O 3.24Å
142E87.9Confident86.3Confident99 Ų9948 Ų4846%0.46325%0.248SC..  trans-98.6-8.7179.2-68.4145.7-166.500112.4T191 K206E142-T191 WeakPolarHBondContact O-CB 3.43Å; E142-K206 IonicContact OE1-NZ 2.62Å; E142-K206 PolarHBondContact OE1-NZ 3.38Å; E142-K206 IonicContact OE2-NZ 2.9Å; E142-K206 PolarHBondContact OE2-NZ 2.72Å
143C86.3Confident87Confident12 Ų1245.2 Ų45.28%0.08123%0.23CC..SBendtrans-61.2139.9-178.1-59.90000113.3H141 W145 G146 P193H141-C143 PolarHBondContact CE1-O 3.32Å; H141-C143 VanDerWaalsContact CE1-O 3.24Å; H141-C143 PolarHBondContact ND1-N 2.94Å; H141-C143 PolarHBondContact ND1-O 3.47Å; C143-W145 PolarHBondContact O-N 3.5Å; C143-G146 WeakPolarHBondContact O-CA 3.2Å; C143-G146 PolarHBondContact O-N 2.88Å; C143-P193 HydrophobicContact CB-CB 4.25Å; C143-P193 HydrophobicContact CB-CG 4.15Å
144A86.4Confident87.9Confident15 Ų1540.6 Ų40.612%0.12422%0.221CC..BIsolated β-bridgetrans56.3-118.2-169.600000111.1G146 Y190 T191 P193A144-G146 VanDerWaalsContact C-N 3.31Å; A144-Y190 HydrophobicContact CB-CE2 4.01Å; A144-Y190 CarbonylContact O-C 3.51Å; A144-Y190 WeakPolarHBondContact O-CA 3.21Å; A144-T191 WeakPolarHBondContact CA-O 3.39Å; A144-T191 PolarHBondContact N-O 3.42Å; A144-T191 PolarHBondContact O-N 3.43Å; A144-P193 HydrophobicContact CB-CG 4.47Å
145W84.8Confident88.6Confident79 Ų7939.1 Ų39.130%0.29920%0.203SC..THydrogen-bonded Turntrans-89.32.4173-57.293.2000113.1C143 H183 R184 S188 Y190C143-W145 PolarHBondContact O-N 3.5Å; W145-H183 WeakPolarHBondContact CB-O 3.19Å; W145-R184 HydrophobicContact CD2-CB 4.45Å; W145-R184 HydrophobicContact CD2-CG 4.07Å; W145-R184 HydrophobicContact CE3-CG 3.92Å; W145-R184 HydrophobicContact CG-CB 4.37Å; W145-R184 HydrophobicContact CG-CG 4.5Å; W145-R184 HydrophobicContact CZ3-CG 4.34Å; W145-S188 WeakPolarHBondContact CZ3-O 3.17Å; W145-S188 VanDerWaalsContact O-CB 3.25Å; W145-S188 WeakPolarHBondContact O-CB 3.34Å; W145-Y190 HydrophobicContact CD2-CD2 4.01Å; W145-Y190 AromaticContact CE2-CD2 3.64Å; W145-Y190 HydrophobicContact CG-CD2 4.27Å; W145-Y190 AromaticContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CG 4.24Å; W145-Y190 AromaticContact NE1-CD2 3.67Å
146G88.5Confident88.5Confident10 Ų1037.3 Ų37.310%0.10320%0.195CC..  trans75.7168.6-174.900000114.2H141 C143 A144 S182 H183H141-G146 CarbonylContact O-C 3.58Å; H141-G146 WeakPolarHBondContact O-CA 3.5Å; C143-G146 WeakPolarHBondContact O-CA 3.2Å; C143-G146 PolarHBondContact O-N 2.88Å; A144-G146 VanDerWaalsContact C-N 3.31Å; G146-S182 CarbonylContact O-C 3.52Å; G146-S182 WeakPolarHBondContact O-CA 3.5Å; G146-S182 VanDerWaalsContact O-CB 3.24Å; G146-S182 WeakPolarHBondContact O-CB 3.48Å; G146-H183 PolarHBondContact O-N 3.35Å
147S91.3Very high88Confident5 Ų542.3 Ų42.34%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-159.8156.4177.5-148.10000111S140 H141 H181S140-S147 CarbonylContact C-O 3.5Å; S140-S147 WeakPolarHBondContact CA-O 3.37Å; S140-S147 VanDerWaalsContact CB-O 3.32Å; S140-S147 WeakPolarHBondContact CB-O 3.39Å; H141-S147 PolarHBondContact N-O 2.95Å; H141-S147 WeakPolarHBondContact NE2-CB 3.31Å; H141-S147 PolarHBondContact O-N 2.78Å; S147-H181 WeakPolarHBondContact CB-O 3.04Å; S147-H181 PolarHBondContact OG-O 3.09Å
148R93.4Very high87.3Confident111 Ų11144.6 Ų44.642%0.41923%0.232SC..EExtended strand (participates in β ladder)trans-129145.3175.2-175.3177.1175.6-169.83.2109.2D138 V139 S167 Y168 S208D138-R148 WeakPolarHBondContact OD1-CG 3.44Å; D138-R148 IonicContact OD1-CZ 3.82Å; D138-R148 IonicContact OD1-NE 3.14Å; D138-R148 PolarHBondContact OD1-NE 3.48Å; D138-R148 IonicContact OD1-NH2 3.87Å; D138-R148 IonicContact OD2-CZ 3.21Å; D138-R148 VanDerWaalsContact OD2-CZ 3.28Å; D138-R148 IonicContact OD2-NE 2.72Å; D138-R148 PolarHBondContact OD2-NE 2.84Å; D138-R148 VanDerWaalsContact OD2-NE 3.14Å; D138-R148 IonicContact OD2-NH2 2.65Å; D138-R148 PolarHBondContact OD2-NH2 3.28Å; V139-R148 CarbonylContact O-C 3.58Å; V139-R148 WeakPolarHBondContact O-CA 3.42Å; R148-S167 PolarHBondContact O-N 3.32Å; R148-S167 PolarHBondContact O-OG 3.05Å; R148-Y168 HydrophobicContact CB-CE2 4.3Å; R148-S208 WeakPolarHBondContact CD-OG 3.36Å; R148-S208 PolarHBondContact NE-OG 3.17Å
149G93.8Very high86.6Confident0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-171.6166.1-177.200000112.9V139 K165 S167V139-G149 WeakPolarHBondContact CG2-O 3.48Å; V139-G149 PolarHBondContact N-O 3.17Å; V139-G149 PolarHBondContact O-N 3.31Å; V139-G149 VanDerWaalsContact O-O 3.06Å; G149-K165 CarbonylContact C-O 3.51Å; G149-K165 WeakPolarHBondContact CA-O 3.4Å; G149-S167 WeakPolarHBondContact CA-OG 3.42Å
150N93.6Very high86.2Confident67 Ų6755.8 Ų55.836%0.35828%0.282SS..EExtended strand (participates in β ladder)trans-101.8114.7-176.9-639.4000109.1A136 F137 I164 K165A136-N150 HydrophobicContact CB-CB 4.14Å; F137-N150 CarbonylContact O-C 3.52Å; F137-N150 WeakPolarHBondContact O-CA 3.43Å; N150-I164 WeakPolarHBondContact O-CA 3.25Å; N150-K165 PolarHBondContact N-O 3.03Å; N150-K165 PolarHBondContact O-N 3.24Å
151F91.5Very high86Confident0 Ų055.2 Ų55.20%028%0.279CS..EExtended strand (participates in β ladder)trans-82120172.9180-72.7000109.4A136 F137 V139 P153 Y156 C163 I164 P175 W201 W220 V223A136-F151 CarbonylContact C-O 3.59Å; A136-F151 VanDerWaalsContact CA-O 3.23Å; A136-F151 WeakPolarHBondContact CA-O 3.39Å; A136-F151 WeakPolarHBondContact CB-O 3.21Å; F137-F151 HydrophobicContact CB-CB 4.35Å; F137-F151 HydrophobicContact CD2-CD1 4.14Å; F137-F151 PolarHBondContact N-O 3.48Å; F137-F151 PolarHBondContact O-N 2.85Å; V139-F151 HydrophobicContact CG1-CB 4.23Å; V139-F151 HydrophobicContact CG2-CB 3.88Å; F151-P153 HydrophobicContact CD1-CG 4.11Å; F151-P153 HydrophobicContact CE1-CB 4.27Å; F151-P153 HydrophobicContact CE1-CG 4.07Å; F151-P153 WeakPolarHBondContact O-CD 3.48Å; F151-Y156 HydrophobicContact CE1-CD1 4.47Å; F151-Y156 HydrophobicContact CE2-CD1 4.22Å; F151-Y156 HydrophobicContact CE2-CE1 4.36Å; F151-Y156 HydrophobicContact CE2-CG 4.46Å; F151-Y156 AromaticContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CE1 4Å; F151-Y156 AromaticContact CZ-CG 3.9Å; F151-Y156 HydrophobicContact CZ-CG 3.9Å; F151-C163 VanDerWaalsContact CE2-SG 3.55Å; F151-I164 HydrophobicContact CB-CG1 4.15Å; F151-I164 HydrophobicContact CD2-CD1 3.96Å; F151-I164 HydrophobicContact CD2-CG1 3.64Å; F151-I164 HydrophobicContact CG-CG1 4.28Å; F151-P175 HydrophobicContact CE2-CG 4.03Å; F151-W201 HydrophobicContact CE2-CH2 4.35Å; F151-W220 HydrophobicContact CB-CZ3 4.35Å; F151-W220 HydrophobicContact CD1-CZ3 4.08Å; F151-W220 HydrophobicContact CD2-CH2 4.11Å; F151-W220 HydrophobicContact CD2-CZ3 4.04Å; F151-W220 HydrophobicContact CE1-CZ3 4.39Å; F151-W220 HydrophobicContact CE2-CH2 4.49Å; F151-W220 HydrophobicContact CE2-CZ3 4.35Å; F151-W220 HydrophobicContact CG-CH2 4.35Å; F151-W220 AromaticContact CG-CZ3 3.92Å; F151-W220 HydrophobicContact CG-CZ3 3.92Å; F151-V223 HydrophobicContact CD1-CG1 4.4Å; F151-V223 HydrophobicContact CE1-CG1 3.54Å; F151-V223 HydrophobicContact CE2-CG1 4.44Å; F151-V223 HydrophobicContact CZ-CG1 3.57Å
152I90.4Very high86.1Confident29 Ų2962 Ų6215%0.14931%0.308CS..  trans-104.7106.1-179.1-54.6174.2000109A136 A154 R155 C163 Y172A136-I152 HydrophobicContact CB-CG1 4.06Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 HydrophobicContact CG2-CB 4.38Å; I152-A154 PolarHBondContact O-N 3.38Å; I152-R155 HydrophobicContact CB-CB 4.43Å; I152-R155 HydrophobicContact CB-CG 4.37Å; I152-R155 HydrophobicContact CG2-CB 4.39Å; I152-R155 HydrophobicContact CG2-CG 3.97Å; I152-R155 PolarHBondContact O-N 2.9Å; I152-R155 VanDerWaalsContact O-N 3.16Å; I152-C163 PolarHBondContact N-O 2.99Å; I152-Y172 HydrophobicContact CD1-CE1 4.17Å
153P84.6Confident86.2Confident35 Ų3557.2 Ų57.223%0.22729%0.286CS..G310 helixtrans-61-39.4-176.1-23.234.9000113.2L131 F135 F137 F151 R155 Y156L131-P153 HydrophobicContact CD1-CG 4.18Å; F135-P153 VanDerWaalsContact O-CD 3.28Å; F135-P153 WeakPolarHBondContact O-CD 3.44Å; F137-P153 HydrophobicContact CD2-CG 3.89Å; F137-P153 HydrophobicContact CE2-CG 3.65Å; F151-P153 HydrophobicContact CD1-CG 4.11Å; F151-P153 HydrophobicContact CE1-CB 4.27Å; F151-P153 HydrophobicContact CE1-CG 4.07Å; F151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-R155 PolarHBondContact O-N 3.11Å; P153-R155 VanDerWaalsContact O-N 3.09Å; P153-Y156 WeakPolarHBondContact O-CB 3.36Å; P153-Y156 PolarHBondContact O-N 3.35Å
154A82.3Confident86.6Confident69 Ų6956.7 Ų56.757%0.5728%0.282SS*.G310 helixtrans-58.1-24.5178.700000113.7E133 I152E133-A154 HydrophobicContact CG-CB 4.36Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 HydrophobicContact CG2-CB 4.38Å; I152-A154 PolarHBondContact O-N 3.38Å
155R82.3Confident86.9Confident132 Ų13259.1 Ų59.150%0.49829%0.29SS..G310 helixtrans-91.3-3.4176.7-65-172.5-179-163.8-0.3113.8I152 P153 N157 A161 C163 Y172I152-R155 HydrophobicContact CB-CB 4.43Å; I152-R155 HydrophobicContact CB-CG 4.37Å; I152-R155 HydrophobicContact CG2-CB 4.39Å; I152-R155 HydrophobicContact CG2-CG 3.97Å; I152-R155 PolarHBondContact O-N 2.9Å; I152-R155 VanDerWaalsContact O-N 3.16Å; P153-R155 PolarHBondContact O-N 3.11Å; P153-R155 VanDerWaalsContact O-N 3.09Å; R155-N157 VanDerWaalsContact C-N 3.33Å; R155-N157 PolarHBondContact O-N 3.02Å; R155-N157 VanDerWaalsContact O-N 3.13Å; R155-A161 WeakPolarHBondContact O-CB 3.35Å; R155-C163 HydrophobicContact CB-CB 4.4Å; R155-Y172 VanDerWaalsContact NH1-CE1 3.27Å; R155-Y172 VanDerWaalsContact NH1-CZ 3.31Å; R155-Y172 PolarHBondContact NH1-OH 3.37Å
156Y80.8Confident87.4Confident15 Ų1555.4 Ų55.46%0.05928%0.276CS..  trans-91.658.1-171.7-163.1-139.5000113.2F151 P153 S158 A161 C163 P175 W201 F227F151-Y156 HydrophobicContact CE1-CD1 4.47Å; F151-Y156 HydrophobicContact CE2-CD1 4.22Å; F151-Y156 HydrophobicContact CE2-CE1 4.36Å; F151-Y156 HydrophobicContact CE2-CG 4.46Å; F151-Y156 AromaticContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CD1 3.53Å; F151-Y156 HydrophobicContact CZ-CE1 4Å; F151-Y156 AromaticContact CZ-CG 3.9Å; F151-Y156 HydrophobicContact CZ-CG 3.9Å; P153-Y156 WeakPolarHBondContact O-CB 3.36Å; P153-Y156 PolarHBondContact O-N 3.35Å; Y156-S158 WeakPolarHBondContact CD2-O 3.37Å; Y156-S158 WeakPolarHBondContact CE2-O 3.21Å; Y156-S158 PolarHBondContact O-N 2.94Å; Y156-A161 HydrophobicContact CD2-CB 4.18Å; Y156-C163 HydrophobicContact CD2-CB 3.83Å; Y156-C163 WeakPolarHBondContact CD2-SG 3.33Å; Y156-C163 HydrophobicContact CG-CB 4.1Å; Y156-P175 HydrophobicContact CE2-CG 3.76Å; Y156-W201 HydrophobicContact CE1-CZ2 4.4Å; Y156-F227 HydrophobicContact CD1-CD1 4.3Å; Y156-F227 AromaticContact CD1-CD2 3.84Å; Y156-F227 HydrophobicContact CD1-CD2 3.84Å; Y156-F227 AromaticContact CD1-CE1 3.82Å; Y156-F227 HydrophobicContact CD1-CE1 3.82Å; Y156-F227 AromaticContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CG 4.32Å; Y156-F227 AromaticContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CE1-CB 4.44Å; Y156-F227 AromaticContact CE1-CD1 3.51Å; Y156-F227 HydrophobicContact CE1-CD1 3.51Å; Y156-F227 AromaticContact CE1-CD2 3.39Å; Y156-F227 HydrophobicContact CE1-CD2 3.39Å; Y156-F227 AromaticContact CE1-CE1 3.46Å; Y156-F227 HydrophobicContact CE1-CE1 3.46Å; Y156-F227 VanDerWaalsContact CE1-CE1 3.46Å; Y156-F227 AromaticContact CE1-CE2 3.37Å; Y156-F227 HydrophobicContact CE1-CE2 3.37Å; Y156-F227 AromaticContact CE1-CG 3.48Å; Y156-F227 HydrophobicContact CE1-CG 3.48Å; Y156-F227 VanDerWaalsContact CE1-CG 3.48Å; Y156-F227 AromaticContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CG-CE2 4.48Å; Y156-F227 HydrophobicContact CG-CZ 4.15Å; Y156-F227 AromaticContact CZ-CD1 3.86Å; Y156-F227 AromaticContact CZ-CE1 3.9Å
157N75.3Confident87.7Confident140 Ų14057.5 Ų57.575%0.74929%0.29SS*.SBendtrans-71.9-11.9-17970.813.3000114.9R155 A161R155-N157 VanDerWaalsContact C-N 3.33Å; R155-N157 PolarHBondContact O-N 3.02Å; R155-N157 VanDerWaalsContact O-N 3.13Å; N157-A161 WeakPolarHBondContact OD1-CB 3.5Å
158S74.4Confident87.7Confident49 Ų4962.5 Ų62.534%0.34331%0.308SS..SBendtrans-164159.1-175.461.40000111.2Y156 R160 A161Y156-S158 WeakPolarHBondContact CD2-O 3.37Å; Y156-S158 WeakPolarHBondContact CE2-O 3.21Å; Y156-S158 PolarHBondContact O-N 2.94Å; S158-R160 PolarHBondContact O-N 3.32Å; S158-A161 VanDerWaalsContact O-CB 3.25Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.35Å; S158-A161 PolarHBondContact OG-N 3.35Å
159S76.4Confident87.7Confident69 Ų6959.3 Ų59.348%0.48330%0.302SS..THydrogen-bonded Turntrans-60.3-15.717858.80000114.7
160R83.8Confident87.7Confident207 Ų20763.4 Ų63.478%0.78132%0.324SS*.THydrogen-bonded Turntrans-103.1-6.2176.6-70.2173.7168.977.1-5.2113.6S158S158-R160 PolarHBondContact O-N 3.32Å
161A87.8Confident87.7Confident12 Ų1266 Ų6610%0.09934%0.336CS..SBendtrans-61.1142.4-179.700000111.6R155 Y156 N157 S158 C163 S174R155-A161 WeakPolarHBondContact O-CB 3.35Å; Y156-A161 HydrophobicContact CD2-CB 4.18Å; N157-A161 WeakPolarHBondContact OD1-CB 3.5Å; S158-A161 VanDerWaalsContact O-CB 3.25Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.35Å; S158-A161 PolarHBondContact OG-N 3.35Å; A161-C163 VanDerWaalsContact C-N 3.25Å; A161-C163 PolarHBondContact O-N 2.84Å; A161-S174 WeakPolarHBondContact O-CA 3.48Å; A161-S174 WeakPolarHBondContact O-CB 3.32Å
162K92.1Very high87.8Confident146 Ų14670 Ų7064%0.63535%0.351SS*.  trans-83.964.1-178.3-55.5179.2-176.8172.70110.8Y172 F173K162-Y172 WeakPolarHBondContact O-CD1 3.33Å; K162-F173 CarbonylContact C-O 3.55Å; K162-F173 VanDerWaalsContact C-O 3.31Å; K162-F173 WeakPolarHBondContact CA-O 3.2Å
163C90.8Very high87.9Confident0 Ų069.7 Ų69.70%035%0.349CS..  trans-84.8-15.4-172.364.10000115.5F151 I152 R155 Y156 A161 F173F151-C163 VanDerWaalsContact CE2-SG 3.55Å; I152-C163 PolarHBondContact N-O 2.99Å; R155-C163 HydrophobicContact CB-CB 4.4Å; Y156-C163 HydrophobicContact CD2-CB 3.83Å; Y156-C163 WeakPolarHBondContact CD2-SG 3.33Å; Y156-C163 HydrophobicContact CG-CB 4.1Å; A161-C163 VanDerWaalsContact C-N 3.25Å; A161-C163 PolarHBondContact O-N 2.84Å; C163-F173 PolarHBondContact N-O 3.49Å; C163-F173 VanDerWaalsContact N-O 3.16Å
164I93.6Very high88.2Confident0 Ų069 Ų690%035%0.345CS..EExtended strand (participates in β ladder)trans-102.8118.8179.5-51.9-179.1000109.7V139 N150 F151 Y172 F173 P175 F178 L205V139-I164 HydrophobicContact CG2-CG2 4.22Å; N150-I164 WeakPolarHBondContact O-CA 3.25Å; F151-I164 HydrophobicContact CB-CG1 4.15Å; F151-I164 HydrophobicContact CD2-CD1 3.96Å; F151-I164 HydrophobicContact CD2-CG1 3.64Å; F151-I164 HydrophobicContact CG-CG1 4.28Å; I164-Y172 CarbonylContact O-C 3.36Å; I164-Y172 VanDerWaalsContact O-CA 3.31Å; I164-Y172 WeakPolarHBondContact O-CA 3.46Å; I164-F173 PolarHBondContact N-O 2.95Å; I164-F173 PolarHBondContact O-N 2.61Å; I164-P175 HydrophobicContact CD1-CB 4.19Å; I164-P175 HydrophobicContact CD1-CG 4.2Å; I164-F178 HydrophobicContact CB-CB 4.5Å; I164-F178 HydrophobicContact CB-CD2 4.49Å; I164-F178 HydrophobicContact CB-CG 4.27Å; I164-F178 HydrophobicContact CD1-CB 3.87Å; I164-F178 HydrophobicContact CD1-CD1 3.69Å; I164-F178 HydrophobicContact CD1-CG 3.92Å; I164-F178 HydrophobicContact CG2-CD1 3.88Å; I164-F178 HydrophobicContact CG2-CD2 3.9Å; I164-F178 HydrophobicContact CG2-CE1 3.95Å; I164-F178 HydrophobicContact CG2-CE2 3.98Å; I164-F178 HydrophobicContact CG2-CG 3.86Å; I164-F178 HydrophobicContact CG2-CZ 4.01Å; I164-L205 HydrophobicContact CD1-CD2 3.6Å
165K94.6Very high88.5Confident67 Ų6765.7 Ų65.729%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-88.4116.1169.9-170.8-166.4173.8-160.70109.3G149 N150 N170 Y172G149-K165 CarbonylContact C-O 3.51Å; G149-K165 WeakPolarHBondContact CA-O 3.4Å; N150-K165 PolarHBondContact N-O 3.03Å; N150-K165 PolarHBondContact O-N 3.24Å; K165-N170 WeakPolarHBondContact CE-OD1 3.47Å; K165-N170 WeakPolarHBondContact CG-O 3.49Å; K165-N170 PolarHBondContact NZ-OD1 3.26Å; K165-Y172 HydrophobicContact CB-CD1 3.91Å; K165-Y172 HydrophobicContact CB-CE1 3.69Å; K165-Y172 HydrophobicContact CD-CE1 4.49Å; K165-Y172 HydrophobicContact CG-CD1 4.39Å; K165-Y172 HydrophobicContact CG-CE1 4.05Å; K165-Y172 HydrophobicContact CG-CE2 4.18Å
166C94.8Very high88.8Confident0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-66.2133.9174.4177.90000110.9Y168 N170 M171 F173 F178 H181C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.36Å; C166-Y168 PolarHBondContact SG-N 2.98Å; C166-Y168 VanDerWaalsContact SG-N 3.43Å; C166-N170 WeakPolarHBondContact O-CA 3.32Å; C166-N170 PolarHBondContact O-N 3.35Å; C166-M171 PolarHBondContact N-O 2.69Å; C166-F173 HydrophobicContact CB-CD2 4.15Å; C166-F173 HydrophobicContact CB-CE2 3.87Å; C166-F178 HydrophobicContact CB-CE2 4.06Å; C166-H181 PolarHBondContact SG-NE2 3.44Å
167S94.1Very high89.3Confident55 Ų5567.6 Ų67.639%0.38533%0.333SS..THydrogen-bonded Turntrans-71.9-24.8-179.4-55.90000113.1R148 G149R148-S167 PolarHBondContact O-N 3.32Å; R148-S167 PolarHBondContact O-OG 3.05Å; G149-S167 WeakPolarHBondContact CA-OG 3.42Å
168Y91.5Very high90Very high110 Ų11060.9 Ų60.943%0.43130%0.297SS..THydrogen-bonded Turntrans-85.5-48.2-177.1-58.7-68.2000113.5R148 C166 H183 T185R148-Y168 HydrophobicContact CB-CE2 4.3Å; C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.36Å; C166-Y168 PolarHBondContact SG-N 2.98Å; C166-Y168 VanDerWaalsContact SG-N 3.43Å; Y168-H183 HydrophobicContact CD2-CB 3.67Å; Y168-H183 AromaticContact CD2-CD2 3.84Å; Y168-H183 AromaticContact CD2-CG 3.82Å; Y168-H183 HydrophobicContact CE2-CB 4.18Å; Y168-H183 HydrophobicContact CG-CB 3.89Å; Y168-H183 AromaticContact CG-CG 3.82Å; Y168-T185 HydrophobicContact CE1-CG2 3.8Å
169C93.1Very high90.7Very high43 Ų4358.9 Ų58.929%0.29128%0.282SS..THydrogen-bonded Turntrans-104.30-17967.80000114.5M171 H181C169-M171 HydrophobicContact CB-CG 4.44Å; C169-M171 PolarHBondContact O-N 3.14Å; C169-H181 PolarHBondContact SG-CE1 2.68Å; C169-H181 PolarHBondContact SG-NE2 3.38Å
170N93.7Very high91.2Very high87 Ų8761 Ų6147%0.46528%0.283SS..  trans58.8-1.4-175.1-70.7-81.2000116.4K165 C166K165-N170 WeakPolarHBondContact CE-OD1 3.47Å; K165-N170 WeakPolarHBondContact CG-O 3.49Å; K165-N170 PolarHBondContact NZ-OD1 3.26Å; C166-N170 WeakPolarHBondContact O-CA 3.32Å; C166-N170 PolarHBondContact O-N 3.35Å
171M93.2Very high91.6Very high121 Ų12152.8 Ų52.860%0.59625%0.253SS*.  trans-73.4148.5-180-64.8-65.4-81.900112.1C166 C169 F173C166-M171 PolarHBondContact N-O 2.69Å; C169-M171 HydrophobicContact CB-CG 4.44Å; C169-M171 PolarHBondContact O-N 3.14Å; M171-F173 HydrophobicContact CB-CE2 3.61Å; M171-F173 HydrophobicContact CB-CZ 3.75Å; M171-F173 VanDerWaalsContact O-CD2 3.3Å; M171-F173 WeakPolarHBondContact O-CD2 3.45Å; M171-F173 WeakPolarHBondContact O-CE2 3.2Å
172Y94.1Very high91.7Very high83 Ų8353.8 Ų53.833%0.32526%0.26SS..EExtended strand (participates in β ladder)trans-95.6130.4179.4-68.7-97.8000112.1I152 R155 K162 I164 K165I152-Y172 HydrophobicContact CD1-CE1 4.17Å; R155-Y172 VanDerWaalsContact NH1-CE1 3.27Å; R155-Y172 VanDerWaalsContact NH1-CZ 3.31Å; R155-Y172 PolarHBondContact NH1-OH 3.37Å; K162-Y172 WeakPolarHBondContact O-CD1 3.33Å; I164-Y172 CarbonylContact O-C 3.36Å; I164-Y172 VanDerWaalsContact O-CA 3.31Å; I164-Y172 WeakPolarHBondContact O-CA 3.46Å; K165-Y172 HydrophobicContact CB-CD1 3.91Å; K165-Y172 HydrophobicContact CB-CE1 3.69Å; K165-Y172 HydrophobicContact CD-CE1 4.49Å; K165-Y172 HydrophobicContact CG-CD1 4.39Å; K165-Y172 HydrophobicContact CG-CE1 4.05Å; K165-Y172 HydrophobicContact CG-CE2 4.18Å
173F93.4Very high91.6Very high24 Ų2449.5 Ų49.511%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-126.7155.4-177.6-59.8-83.6000111.4K162 C163 I164 C166 M171 K177 F178 H181K162-F173 CarbonylContact C-O 3.55Å; K162-F173 VanDerWaalsContact C-O 3.31Å; K162-F173 WeakPolarHBondContact CA-O 3.2Å; C163-F173 PolarHBondContact N-O 3.49Å; C163-F173 VanDerWaalsContact N-O 3.16Å; I164-F173 PolarHBondContact N-O 2.95Å; I164-F173 PolarHBondContact O-N 2.61Å; C166-F173 HydrophobicContact CB-CD2 4.15Å; C166-F173 HydrophobicContact CB-CE2 3.87Å; M171-F173 HydrophobicContact CB-CE2 3.61Å; M171-F173 HydrophobicContact CB-CZ 3.75Å; M171-F173 VanDerWaalsContact O-CD2 3.3Å; M171-F173 WeakPolarHBondContact O-CD2 3.45Å; M171-F173 WeakPolarHBondContact O-CE2 3.2Å; F173-K177 HydrophobicContact CB-CB 4.49Å; F173-K177 HydrophobicContact CD1-CB 4.47Å; F173-K177 HydrophobicContact CD1-CD 3.92Å; F173-K177 HydrophobicContact CD1-CG 3.9Å; F173-K177 HydrophobicContact CE1-CD 4.5Å; F173-F178 HydrophobicContact CB-CB 4.02Å; F173-F178 HydrophobicContact CB-CD2 4.4Å; F173-F178 HydrophobicContact CD2-CD2 4.22Å; F173-H181 HydrophobicContact CD1-CB 4.47Å; F173-H181 AromaticContact CD2-CD2 3.69Å; F173-H181 HydrophobicContact CE1-CB 4.29Å; F173-H181 AromaticContact CE1-CG 3.91Å; F173-H181 AromaticContact CE2-CD2 3.16Å; F173-H181 WeakPolarHBondContact CE2-CD2 3.44Å; F173-H181 AromaticContact CE2-CE1 3.9Å; F173-H181 AromaticContact CE2-CG 3.66Å; F173-H181 AromaticContact CE2-NE2 3.32Å; F173-H181 VanDerWaalsContact CE2-NE2 3.32Å; F173-H181 WeakPolarHBondContact CE2-NE2 3.3Å; F173-H181 HydrophobicContact CZ-CB 4.33Å; F173-H181 AromaticContact CZ-CD2 3.49Å; F173-H181 VanDerWaalsContact CZ-CD2 3.49Å; F173-H181 WeakPolarHBondContact CZ-CD2 3.38Å; F173-H181 AromaticContact CZ-CE1 3.66Å; F173-H181 AromaticContact CZ-CG 3.49Å; F173-H181 VanDerWaalsContact CZ-CG 3.49Å; F173-H181 AromaticContact CZ-ND1 3.61Å; F173-H181 AromaticContact CZ-NE2 3.59Å
174S90.8Very high91.4Very high19 Ų1958.7 Ų58.713%0.13328%0.276CS..  trans-80.6158.6164.963.10000110.4A161 N176 K177 F178A161-S174 WeakPolarHBondContact O-CA 3.48Å; A161-S174 WeakPolarHBondContact O-CB 3.32Å; S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.37Å; S174-K177 CarbonylContact O-C 3.54Å; S174-K177 WeakPolarHBondContact O-CA 3.38Å; S174-K177 PolarHBondContact O-N 2.9Å; S174-F178 PolarHBondContact O-N 3.24Å
175P89.1Confident90.7Very high0 Ų060.2 Ų60.20%029%0.286CS..Hα-helixtrans-58.2-39-175-27.437000113.8F151 Y156 I164 K177 F178 I179 W201F151-P175 HydrophobicContact CE2-CG 4.03Å; Y156-P175 HydrophobicContact CE2-CG 3.76Å; I164-P175 HydrophobicContact CD1-CB 4.19Å; I164-P175 HydrophobicContact CD1-CG 4.2Å; P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 3.42Å; P175-F178 PolarHBondContact O-N 2.88Å; P175-I179 PolarHBondContact O-N 2.62Å; P175-W201 HydrophobicContact CB-CB 4.44Å; P175-W201 HydrophobicContact CB-CD2 3.41Å; P175-W201 VanDerWaalsContact CB-CD2 3.41Å; P175-W201 HydrophobicContact CB-CE3 3.57Å; P175-W201 HydrophobicContact CB-CG 3.85Å; P175-W201 HydrophobicContact CB-CH2 4.22Å; P175-W201 HydrophobicContact CB-CZ2 4.08Å; P175-W201 HydrophobicContact CB-CZ3 3.99Å; P175-W201 HydrophobicContact CG-CD2 4.45Å; P175-W201 HydrophobicContact CG-CE3 4.49Å; P175-W201 HydrophobicContact CG-CH2 4.33Å; P175-W201 HydrophobicContact CG-CZ2 4.28Å; P175-W201 HydrophobicContact CG-CZ3 4.44Å
176N87.8Confident89.7Confident58 Ų5863.1 Ų63.131%0.3131%0.312SS..Hα-helixtrans-66.8-28.4173.3-81.513.5000113.7S174 I179 F180S174-N176 VanDerWaalsContact C-N 3.3Å; S174-N176 PolarHBondContact O-N 3.37Å; N176-I179 WeakPolarHBondContact O-CG1 3.43Å; N176-F180 WeakPolarHBondContact O-CD2 3.12Å; N176-F180 WeakPolarHBondContact O-CE2 3.45Å
177K90.3Very high88.7Confident129 Ų12970.4 Ų70.456%0.56135%0.346SS*.Hα-helixtrans-86-30.3177.1-169.2172176.9178.60111.9F173 S174 P175 F180F173-K177 HydrophobicContact CB-CB 4.49Å; F173-K177 HydrophobicContact CD1-CB 4.47Å; F173-K177 HydrophobicContact CD1-CD 3.92Å; F173-K177 HydrophobicContact CD1-CG 3.9Å; F173-K177 HydrophobicContact CE1-CD 4.5Å; S174-K177 CarbonylContact O-C 3.54Å; S174-K177 WeakPolarHBondContact O-CA 3.38Å; S174-K177 PolarHBondContact O-N 2.9Å; P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 3.42Å; K177-F180 PolarHBondContact O-N 3Å
178F90.9Very high88Confident0 Ų068.9 Ų68.90%034%0.335CS..Hα-helixtrans-64.2-41.8-179.3-174.1-117.6000112.1H141 I164 C166 F173 S174 P175 F180 H181 L205H141-F178 AromaticContact CD2-CD1 3.88Å; H141-F178 AromaticContact CD2-CE1 3.73Å; H141-F178 PolarHBondContact NE2-O 3.47Å; I164-F178 HydrophobicContact CB-CB 4.5Å; I164-F178 HydrophobicContact CB-CD2 4.49Å; I164-F178 HydrophobicContact CB-CG 4.27Å; I164-F178 HydrophobicContact CD1-CB 3.87Å; I164-F178 HydrophobicContact CD1-CD1 3.69Å; I164-F178 HydrophobicContact CD1-CG 3.92Å; I164-F178 HydrophobicContact CG2-CD1 3.88Å; I164-F178 HydrophobicContact CG2-CD2 3.9Å; I164-F178 HydrophobicContact CG2-CE1 3.95Å; I164-F178 HydrophobicContact CG2-CE2 3.98Å; I164-F178 HydrophobicContact CG2-CG 3.86Å; I164-F178 HydrophobicContact CG2-CZ 4.01Å; C166-F178 HydrophobicContact CB-CE2 4.06Å; F173-F178 HydrophobicContact CB-CB 4.02Å; F173-F178 HydrophobicContact CB-CD2 4.4Å; F173-F178 HydrophobicContact CD2-CD2 4.22Å; S174-F178 PolarHBondContact O-N 3.24Å; P175-F178 PolarHBondContact O-N 2.88Å; F178-F180 PolarHBondContact O-N 2.89Å; F178-H181 WeakPolarHBondContact O-CA 3.34Å; F178-H181 WeakPolarHBondContact O-CB 3.24Å; F178-H181 PolarHBondContact O-N 2.94Å; F178-L205 HydrophobicContact CD1-CD1 3.7Å; F178-L205 HydrophobicContact CE1-CD1 3.65Å
179I89.4Confident87.3Confident7 Ų772 Ų724%0.03635%0.351CS..THydrogen-bonded Turntrans-62.3-13179.159.5167.3000115.5P175 N176 W201 H204P175-I179 PolarHBondContact O-N 2.62Å; N176-I179 WeakPolarHBondContact O-CG1 3.43Å; I179-W201 HydrophobicContact CD1-CB 4.16Å; I179-W201 HydrophobicContact CG2-CB 4.13Å; I179-H204 HydrophobicContact CG2-CB 4.21Å
180F87.2Confident86.8Confident112 Ų11275.5 Ų75.549%0.49136%0.359SS..THydrogen-bonded Turntrans-102.2-5.3171.8-63.2-81.3000113.1N176 K177 F178 S182 F198N176-F180 WeakPolarHBondContact O-CD2 3.12Å; N176-F180 WeakPolarHBondContact O-CE2 3.45Å; K177-F180 PolarHBondContact O-N 3Å; F178-F180 PolarHBondContact O-N 2.89Å; F180-S182 PolarHBondContact O-N 2.86Å; F180-F198 AromaticContact CE1-CD1 3.72Å; F180-F198 HydrophobicContact CE1-CD1 3.72Å; F180-F198 AromaticContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CE1 3.45Å; F180-F198 VanDerWaalsContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CG 4.45Å; F180-F198 AromaticContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE2-CD1 4.36Å; F180-F198 HydrophobicContact CZ-CB 4.19Å; F180-F198 AromaticContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD2 4.34Å; F180-F198 AromaticContact CZ-CE1 3.57Å; F180-F198 HydrophobicContact CZ-CE1 3.57Å; F180-F198 AromaticContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CZ 4.17Å
181H90.9Very high86.1Confident35 Ų3574.3 Ų74.316%0.16236%0.355CS..  trans-99.676-174.7172.755.8000110.4S147 C166 C169 F173 F178 H183S147-H181 WeakPolarHBondContact CB-O 3.04Å; S147-H181 PolarHBondContact OG-O 3.09Å; C166-H181 PolarHBondContact SG-NE2 3.44Å; C169-H181 PolarHBondContact SG-CE1 2.68Å; C169-H181 PolarHBondContact SG-NE2 3.38Å; F173-H181 HydrophobicContact CD1-CB 4.47Å; F173-H181 AromaticContact CD2-CD2 3.69Å; F173-H181 HydrophobicContact CE1-CB 4.29Å; F173-H181 AromaticContact CE1-CG 3.91Å; F173-H181 AromaticContact CE2-CD2 3.16Å; F173-H181 WeakPolarHBondContact CE2-CD2 3.44Å; F173-H181 AromaticContact CE2-CE1 3.9Å; F173-H181 AromaticContact CE2-CG 3.66Å; F173-H181 AromaticContact CE2-NE2 3.32Å; F173-H181 VanDerWaalsContact CE2-NE2 3.32Å; F173-H181 WeakPolarHBondContact CE2-NE2 3.3Å; F173-H181 HydrophobicContact CZ-CB 4.33Å; F173-H181 AromaticContact CZ-CD2 3.49Å; F173-H181 VanDerWaalsContact CZ-CD2 3.49Å; F173-H181 WeakPolarHBondContact CZ-CD2 3.38Å; F173-H181 AromaticContact CZ-CE1 3.66Å; F173-H181 AromaticContact CZ-CG 3.49Å; F173-H181 VanDerWaalsContact CZ-CG 3.49Å; F173-H181 AromaticContact CZ-ND1 3.61Å; F173-H181 AromaticContact CZ-NE2 3.59Å; F178-H181 WeakPolarHBondContact O-CA 3.34Å; F178-H181 WeakPolarHBondContact O-CB 3.24Å; F178-H181 PolarHBondContact O-N 2.94Å; H181-H183 AromaticContact CE1-CD2 3.6Å; H181-H183 AromaticContact CE1-NE2 3.15Å; H181-H183 PolarHBondContact CE1-NE2 2.77Å; H181-H183 AromaticContact NE2-CD2 3.58Å; H181-H183 AromaticContact NE2-NE2 3.3Å; H181-H183 PolarHBondContact NE2-NE2 3.03Å
182S90.1Very high85.1Confident34 Ų3476.3 Ų76.324%0.23836%0.363CS..  trans-91.3150178.863.80000113.7G146 F180G146-S182 CarbonylContact O-C 3.52Å; G146-S182 WeakPolarHBondContact O-CA 3.5Å; G146-S182 VanDerWaalsContact O-CB 3.24Å; G146-S182 WeakPolarHBondContact O-CB 3.48Å; F180-S182 PolarHBondContact O-N 2.86Å
183H90.1Very high83.8Confident56 Ų5674.3 Ų74.326%0.25936%0.36SS..  trans-116.6143169.3-82-99.1000110.3W145 G146 Y168 H181 T185W145-H183 WeakPolarHBondContact CB-O 3.19Å; G146-H183 PolarHBondContact O-N 3.35Å; Y168-H183 HydrophobicContact CD2-CB 3.67Å; Y168-H183 AromaticContact CD2-CD2 3.84Å; Y168-H183 AromaticContact CD2-CG 3.82Å; Y168-H183 HydrophobicContact CE2-CB 4.18Å; Y168-H183 HydrophobicContact CG-CB 3.89Å; Y168-H183 AromaticContact CG-CG 3.82Å; H181-H183 AromaticContact CE1-CD2 3.6Å; H181-H183 AromaticContact CE1-NE2 3.15Å; H181-H183 PolarHBondContact CE1-NE2 2.77Å; H181-H183 AromaticContact NE2-CD2 3.58Å; H181-H183 AromaticContact NE2-NE2 3.3Å; H181-H183 PolarHBondContact NE2-NE2 3.03Å; H183-T185 PolarHBondContact O-N 3.34Å
184R87.7Confident82.6Confident192 Ų19276.4 Ų76.473%0.72537%0.372SS*.  trans-90.896.2179.5-169.1176.8-170.4179.61.2110.4W145W145-R184 HydrophobicContact CD2-CB 4.45Å; W145-R184 HydrophobicContact CD2-CG 4.07Å; W145-R184 HydrophobicContact CE3-CG 3.92Å; W145-R184 HydrophobicContact CG-CB 4.37Å; W145-R184 HydrophobicContact CG-CG 4.5Å; W145-R184 HydrophobicContact CZ3-CG 4.34Å
185T77.9Confident80.9Confident33 Ų3378.7 Ų78.720%0.20239%0.392CS..  trans-86.7159.5168.878.70000110.1Y168 H183 E187 S188Y168-T185 HydrophobicContact CE1-CG2 3.8Å; H183-T185 PolarHBondContact O-N 3.34Å; T185-E187 WeakPolarHBondContact CB-OE2 3.42Å; T185-E187 PolarHBondContact O-N 3.13Å; T185-E187 PolarHBondContact OG1-OE2 3.45Å; T185-S188 PolarHBondContact N-OG 3.26Å; T185-S188 VanDerWaalsContact N-OG 3.13Å; T185-S188 WeakPolarHBondContact O-CB 3.38Å; T185-S188 PolarHBondContact O-N 3.06Å; T185-S188 PolarHBondContact O-OG 3.03Å; T185-S188 PolarHBondContact OG1-N 2.96Å
186P74.2Confident78.9Confident128 Ų12883.2 Ų83.283%0.83143%0.43SS*.THydrogen-bonded Turntrans-60.8-23.3179.215.9-23.3000114.2
187E74.1Confident77.2Confident152 Ų15283 Ų8371%0.7143%0.429SS*.THydrogen-bonded Turntrans-87.8-7.2176.8-44.274.1-16500113.3T185 K189T185-E187 WeakPolarHBondContact CB-OE2 3.42Å; T185-E187 PolarHBondContact O-N 3.13Å; T185-E187 PolarHBondContact OG1-OE2 3.45Å; E187-K189 PolarHBondContact O-N 3.08Å
188S78.6Confident75.5Confident23 Ų2380.9 Ų80.916%0.16142%0.42CS..  trans-75.2112.2-170.462.70000113.3W145 T185W145-S188 WeakPolarHBondContact CZ3-O 3.17Å; W145-S188 VanDerWaalsContact O-CB 3.25Å; W145-S188 WeakPolarHBondContact O-CB 3.34Å; T185-S188 PolarHBondContact N-OG 3.26Å; T185-S188 VanDerWaalsContact N-OG 3.13Å; T185-S188 WeakPolarHBondContact O-CB 3.38Å; T185-S188 PolarHBondContact O-N 3.06Å; T185-S188 PolarHBondContact O-OG 3.03Å; T185-S188 PolarHBondContact OG1-N 2.96Å
189K77.8Confident74Confident177 Ų17786.5 Ų86.577%0.7745%0.449SS*.  trans-86.1119.8170.4-177.6177.3179.41780110.5E187 T191E187-K189 PolarHBondContact O-N 3.08Å; K189-T191 PolarHBondContact O-N 3.44Å; K189-T191 PolarHBondContact O-OG1 3.03Å
190Y81.3Confident73.1Confident115 Ų11587.6 Ų87.645%0.45146%0.458SS..  trans-60.3120.5175.9-175.1-105.3000111.7A144 W145 Q192A144-Y190 HydrophobicContact CB-CE2 4.01Å; A144-Y190 CarbonylContact O-C 3.51Å; A144-Y190 WeakPolarHBondContact O-CA 3.21Å; W145-Y190 HydrophobicContact CD2-CD2 4.01Å; W145-Y190 AromaticContact CE2-CD2 3.64Å; W145-Y190 HydrophobicContact CG-CD2 4.27Å; W145-Y190 AromaticContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CD2 4Å; W145-Y190 HydrophobicContact CZ2-CG 4.24Å; W145-Y190 AromaticContact NE1-CD2 3.67Å; Y190-Q192 HydrophobicContact CE1-CG 3.89Å
191T78.3Confident72.8Confident63 Ų6382.4 Ų82.439%0.38744%0.435SS..BIsolated β-bridgetrans-122.9118.8179.4-570000108.8E142 A144 K189 P193E142-T191 WeakPolarHBondContact O-CB 3.43Å; A144-T191 WeakPolarHBondContact CA-O 3.39Å; A144-T191 PolarHBondContact N-O 3.42Å; A144-T191 PolarHBondContact O-N 3.43Å; K189-T191 PolarHBondContact O-N 3.44Å; K189-T191 PolarHBondContact O-OG1 3.03Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å
192Q73Confident72.5Confident162 Ų16283.7 Ų83.776%0.75744%0.438SS*.  trans-60.9128.1-179.1-72.3-170.5-2.600110.9Y190Y190-Q192 HydrophobicContact CE1-CG 3.89Å
193P67.9Low72.1Confident42 Ų4287.9 Ų87.927%0.27345%0.449SS..  trans-66.3132.7172-17.230.4000111.1C143 A144 T191 A195 F198C143-P193 HydrophobicContact CB-CB 4.25Å; C143-P193 HydrophobicContact CB-CG 4.15Å; A144-P193 HydrophobicContact CB-CG 4.47Å; T191-P193 WeakPolarHBondContact O-CD 3.46Å; P193-A195 PolarHBondContact O-N 2.96Å; P193-F198 HydrophobicContact CB-CE1 4.48Å
194D67.5Low71.8Confident68 Ų6886.9 Ų86.936%0.36444%0.444SS..  trans-61.5102.8170.1168.315.7000110.1A196 R203D194-A196 PolarHBondContact O-N 3.18Å; D194-A196 WeakPolarHBondContact OD1-CB 3.44Å; D194-A196 PolarHBondContact OD1-N 3.14Å; D194-R203 IonicContact OD2-CZ 2.64Å; D194-R203 IonicContact OD2-NH1 3.64Å; D194-R203 IonicContact OD2-NH2 2.69Å; D194-R203 PolarHBondContact OD2-NH2 3.44Å
195A54Low71.9Confident67 Ų6777.9 Ų77.955%0.55441%0.411SS*.G310 helixtrans-72.3-15-174.300000114.2P193 N197 F198P193-A195 PolarHBondContact O-N 2.96Å; A195-N197 PolarHBondContact O-N 3.37Å; A195-F198 VanDerWaalsContact CA-CZ 3.41Å; A195-F198 HydrophobicContact CB-CE1 4.36Å; A195-F198 HydrophobicContact CB-CE2 4.05Å; A195-F198 HydrophobicContact CB-CZ 3.66Å; A195-F198 WeakPolarHBondContact O-CD2 3.28Å; A195-F198 VanDerWaalsContact O-CE2 3.28Å; A195-F198 WeakPolarHBondContact O-CE2 3.42Å
196A48Very low72.4Confident95 Ų9580.4 Ų80.479%0.78542%0.419SS*.G310 helixtrans-76.7-10.2-178.500000113D194D194-A196 PolarHBondContact O-N 3.18Å; D194-A196 WeakPolarHBondContact OD1-CB 3.44Å; D194-A196 PolarHBondContact OD1-N 3.14Å
197N52.4Low73.1Confident53 Ų5375.5 Ų75.528%0.28339%0.385SS..G310 helixtrans-142.935.5-163.6-144.7-23.8000115.7A195 N199 S200 R203A195-N197 PolarHBondContact O-N 3.37Å; N197-N199 PolarHBondContact O-N 3.35Å; N197-S200 WeakPolarHBondContact O-CB 3.32Å; N197-S200 PolarHBondContact O-N 3.01Å; N197-S200 WeakPolarHBondContact OD1-CB 3.46Å; N197-S200 PolarHBondContact OD1-OG 3.47Å; N197-R203 PolarHBondContact ND2-NH1 3.23Å
198F53.3Low73.6Confident85 Ų8569.9 Ų69.937%0.37336%0.363SS..THydrogen-bonded Turntrans-57.7-17.9-179.3-61.5-51.8000115.8F180 P193 A195 S200F180-F198 AromaticContact CE1-CD1 3.72Å; F180-F198 HydrophobicContact CE1-CD1 3.72Å; F180-F198 AromaticContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CE1 3.45Å; F180-F198 VanDerWaalsContact CE1-CE1 3.45Å; F180-F198 HydrophobicContact CE1-CG 4.45Å; F180-F198 AromaticContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE1-CZ 3.99Å; F180-F198 HydrophobicContact CE2-CD1 4.36Å; F180-F198 HydrophobicContact CZ-CB 4.19Å; F180-F198 AromaticContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD1 3.32Å; F180-F198 HydrophobicContact CZ-CD2 4.34Å; F180-F198 AromaticContact CZ-CE1 3.57Å; F180-F198 HydrophobicContact CZ-CE1 3.57Å; F180-F198 AromaticContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CG 3.73Å; F180-F198 HydrophobicContact CZ-CZ 4.17Å; P193-F198 HydrophobicContact CB-CE1 4.48Å; A195-F198 VanDerWaalsContact CA-CZ 3.41Å; A195-F198 HydrophobicContact CB-CE1 4.36Å; A195-F198 HydrophobicContact CB-CE2 4.05Å; A195-F198 HydrophobicContact CB-CZ 3.66Å; A195-F198 WeakPolarHBondContact O-CD2 3.28Å; A195-F198 VanDerWaalsContact O-CE2 3.28Å; A195-F198 WeakPolarHBondContact O-CE2 3.42Å; F198-S200 PolarHBondContact O-N 3.47Å
199N60.1Low73.7Confident117 Ų11773 Ų7363%0.62638%0.377SS*.THydrogen-bonded Turntrans-80.9-6.1174.9-150.4-2.3000112.9N197 R202N197-N199 PolarHBondContact O-N 3.35Å; N199-R202 PolarHBondContact O-NH1 3.39Å
200S70.8Confident73.3Confident30 Ų3073.3 Ų73.321%0.2138%0.379CS..  trans-102.644.1179.9-65.80000113.1N197 F198 R202 R203 H204N197-S200 WeakPolarHBondContact O-CB 3.32Å; N197-S200 PolarHBondContact O-N 3.01Å; N197-S200 WeakPolarHBondContact OD1-CB 3.46Å; N197-S200 PolarHBondContact OD1-OG 3.47Å; F198-S200 PolarHBondContact O-N 3.47Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-R203 WeakPolarHBondContact O-CB 3.44Å; S200-R203 PolarHBondContact O-N 2.81Å; S200-H204 PolarHBondContact O-CD2 3.5Å; S200-H204 VanDerWaalsContact O-CD2 3.27Å
201W81.9Confident72.5Confident4 Ų470.8 Ų70.82%0.01539%0.388CS..Hα-helixtrans-44-35.9169.966.3-89.8000113F151 Y156 P175 I179 R203 H204 L205 W220 F227F151-W201 HydrophobicContact CE2-CH2 4.35Å; Y156-W201 HydrophobicContact CE1-CZ2 4.4Å; P175-W201 HydrophobicContact CB-CB 4.44Å; P175-W201 HydrophobicContact CB-CD2 3.41Å; P175-W201 VanDerWaalsContact CB-CD2 3.41Å; P175-W201 HydrophobicContact CB-CE3 3.57Å; P175-W201 HydrophobicContact CB-CG 3.85Å; P175-W201 HydrophobicContact CB-CH2 4.22Å; P175-W201 HydrophobicContact CB-CZ2 4.08Å; P175-W201 HydrophobicContact CB-CZ3 3.99Å; P175-W201 HydrophobicContact CG-CD2 4.45Å; P175-W201 HydrophobicContact CG-CE3 4.49Å; P175-W201 HydrophobicContact CG-CH2 4.33Å; P175-W201 HydrophobicContact CG-CZ2 4.28Å; P175-W201 HydrophobicContact CG-CZ3 4.44Å; I179-W201 HydrophobicContact CD1-CB 4.16Å; I179-W201 HydrophobicContact CG2-CB 4.13Å; W201-R203 PolarHBondContact O-N 3.22Å; W201-R203 VanDerWaalsContact O-N 3.12Å; W201-H204 PolarHBondContact O-N 2.91Å; W201-L205 HydrophobicContact CE3-CB 4.25Å; W201-L205 HydrophobicContact CE3-CD2 3.82Å; W201-L205 HydrophobicContact CZ3-CD2 3.91Å; W201-L205 WeakPolarHBondContact O-CB 3.46Å; W201-L205 PolarHBondContact O-N 2.91Å; W201-W220 HydrophobicContact CZ3-CH2 4.16Å; W201-F227 HydrophobicContact CZ2-CB 4.45Å
202R82.9Confident72.3Confident62 Ų6268.3 Ų68.323%0.23437%0.373CS..Hα-helixtrans-55.4-21.7175.1-55.5170.6-157.572.3-0.2115.2N199 S200 K224 F227N199-R202 PolarHBondContact O-NH1 3.39Å; S200-R202 PolarHBondContact O-N 3.12Å; R202-K224 HydrophobicContact CB-CG 4.4Å; R202-K224 WeakPolarHBondContact CD-O 3.33Å; R202-K224 HydrophobicContact CG-CB 4.49Å; R202-F227 PolarHBondContact NE-O 3.29Å; R202-F227 PolarHBondContact NH2-O 3.49Å
203R82.3Confident72.5Confident122 Ų12264.3 Ų64.346%0.4636%0.361SS..Hα-helixtrans-88-27.1173.3-62.1-173.3-43.3158.612.1112.9D194 N197 S200 W201D194-R203 IonicContact OD2-CZ 2.64Å; D194-R203 IonicContact OD2-NH1 3.64Å; D194-R203 IonicContact OD2-NH2 2.69Å; D194-R203 PolarHBondContact OD2-NH2 3.44Å; N197-R203 PolarHBondContact ND2-NH1 3.23Å; S200-R203 WeakPolarHBondContact O-CB 3.44Å; S200-R203 PolarHBondContact O-N 2.81Å; W201-R203 PolarHBondContact O-N 3.22Å; W201-R203 VanDerWaalsContact O-N 3.12Å
204H84.3Confident72.9Confident35 Ų3568.6 Ų68.616%0.16238%0.379CS..Hα-helixtrans-99-22.7-171.4-60.7-71.6000112.4H141 I179 S200 W201H141-H204 WeakPolarHBondContact CA-O 3.14Å; H141-H204 WeakPolarHBondContact CB-O 3.24Å; I179-H204 HydrophobicContact CG2-CB 4.21Å; S200-H204 PolarHBondContact O-CD2 3.5Å; S200-H204 VanDerWaalsContact O-CD2 3.27Å; W201-H204 PolarHBondContact O-N 2.91Å
205L88.9Confident73.2Confident3 Ų373 Ų732%0.01640%0.398CS..EExtended strand (participates in β ladder)trans-96.6111.3177.4-166.963.6000110.6V139 I164 F178 W201 W220V139-L205 HydrophobicContact CB-CD1 3.75Å; V139-L205 HydrophobicContact CB-CD2 4.4Å; V139-L205 HydrophobicContact CB-CG 3.96Å; V139-L205 HydrophobicContact CG1-CG 4.43Å; V139-L205 HydrophobicContact CG2-CD1 3.84Å; V139-L205 HydrophobicContact CG2-CD2 4.23Å; V139-L205 HydrophobicContact CG2-CG 4.23Å; I164-L205 HydrophobicContact CD1-CD2 3.6Å; F178-L205 HydrophobicContact CD1-CD1 3.7Å; F178-L205 HydrophobicContact CE1-CD1 3.65Å; W201-L205 HydrophobicContact CE3-CB 4.25Å; W201-L205 HydrophobicContact CE3-CD2 3.82Å; W201-L205 HydrophobicContact CZ3-CD2 3.91Å; W201-L205 WeakPolarHBondContact O-CB 3.46Å; W201-L205 PolarHBondContact O-N 2.91Å; L205-W220 HydrophobicContact CB-CZ2 4.44Å; L205-W220 HydrophobicContact CD2-CH2 3.8Å; L205-W220 HydrophobicContact CD2-CZ2 4.03Å; L205-W220 HydrophobicContact CG-CH2 4.23Å; L205-W220 HydrophobicContact CG-CZ2 3.97Å
206K88.2Confident74.5Confident86 Ų8672.1 Ų72.137%0.37438%0.383SS..EExtended strand (participates in β ladder)trans-105.5166.9179.4-56176.9-169.5175.70109.4V139 S140 E142V139-K206 CarbonylContact C-O 3.31Å; V139-K206 WeakPolarHBondContact CA-O 3.33Å; V139-K206 WeakPolarHBondContact CB-O 3.28Å; S140-K206 PolarHBondContact N-O 3.43Å; S140-K206 PolarHBondContact O-N 2.95Å; E142-K206 IonicContact OE1-NZ 2.62Å; E142-K206 PolarHBondContact OE1-NZ 3.38Å; E142-K206 IonicContact OE2-NZ 2.9Å; E142-K206 PolarHBondContact OE2-NZ 2.72Å
207L90Very high76.1Confident25 Ų2571 Ų7113%0.13136%0.363CS..EExtended strand (participates in β ladder)trans-69.5142.1160.1-65175.4000108.5F137 D138 V139 I216 M217 W220F137-L207 HydrophobicContact CB-CD2 3.93Å; F137-L207 HydrophobicContact CD1-CD2 3.82Å; F137-L207 HydrophobicContact CG-CD2 4.31Å; D138-L207 WeakPolarHBondContact O-CA 3.2Å; V139-L207 HydrophobicContact CG1-CD2 4.13Å; L207-I216 HydrophobicContact CD1-CG2 4.31Å; L207-M217 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD1-CB 4.05Å; L207-W220 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD2-CB 4.05Å; L207-W220 HydrophobicContact CD2-CD2 3.96Å; L207-W220 HydrophobicContact CD2-CG 3.7Å; L207-W220 HydrophobicContact CG-CB 4.22Å; L207-W220 HydrophobicContact CG-CD2 4.49Å; L207-W220 HydrophobicContact CG-CG 3.85Å
208S84.6Confident77.4Confident34 Ų3473.9 Ų73.924%0.23837%0.374CS..SBendtrans-79.5-25.4179.7-162.80000112.7D138 R148D138-S208 PolarHBondContact O-N 3.09Å; D138-S208 WeakPolarHBondContact OD1-CB 3.44Å; R148-S208 WeakPolarHBondContact CD-OG 3.36Å; R148-S208 PolarHBondContact NE-OG 3.17Å
209D81.1Confident78.7Confident87 Ų8770.3 Ų70.347%0.46536%0.361SS..  trans-87.4142.4166.8-178.223.2000110.6G211 S212D209-G211 PolarHBondContact OD1-N 3.4Å; D209-S212 WeakPolarHBondContact OD2-CA 3.47Å; D209-S212 PolarHBondContact OD2-N 2.83Å
210K67.9Low79.9Confident184 Ų18465.1 Ų65.180%0.833%0.332SS*.SBendtrans-104-15.8176.4-57.1-177.5-170.2-59.30112.5
211G64.2Low80.4Confident63 Ų6369 Ų6965%0.64935%0.347SS*.SBendtrans-93.95.2175.500000114D209D209-G211 PolarHBondContact OD1-N 3.4Å
212S74.3Confident80.2Confident10 Ų1072.8 Ų72.87%0.0737%0.367CS..  trans-57.9134.9-173.862.90000111.3D209 M217D209-S212 WeakPolarHBondContact OD2-CA 3.47Å; D209-S212 PolarHBondContact OD2-N 2.83Å; S212-M217 VanDerWaalsContact OG-CG 3.27Å; S212-M217 WeakPolarHBondContact OG-CG 3.32Å
213P77.3Confident80.1Confident78 Ų7870.3 Ų70.351%0.50636%0.359SS..  trans-46.1144.4178.4-31.533.9000113.8E215 I216 M217P213-E215 PolarHBondContact O-N 3.32Å; P213-E215 VanDerWaalsContact O-N 3.1Å; P213-I216 HydrophobicContact CB-CG1 4.43Å; P213-I216 HydrophobicContact CG-CD1 4.35Å; P213-I216 WeakPolarHBondContact O-CA 3.38Å; P213-I216 WeakPolarHBondContact O-CB 3.15Å; P213-I216 PolarHBondContact O-N 3.4Å; P213-M217 PolarHBondContact O-N 3.06Å
214M76.2Confident79.9Confident132 Ų13266.3 Ų66.365%0.6535%0.345SS*.Hα-helixtrans-56.6-31.4-178.6-67.5-127.8-74.400112.9M217 H218M214-M217 HydrophobicContact CB-CE 4.38Å; M214-M217 HydrophobicContact CG-CE 3.83Å; M214-M217 PolarHBondContact O-N 2.96Å; M214-M217 HydrophobicContact SD-CE 4.3Å; M214-H218 WeakPolarHBondContact O-CB 3.42Å; M214-H218 PolarHBondContact O-N 2.72Å; M214-H218 PolarHBondContact O-ND1 3.49Å
215E75.8Confident79.3Confident161 Ų16167.1 Ų67.175%0.75236%0.358SS*.Hα-helixtrans-60.9-43171.5-174.7176-162.700112.9P213 H218 A219P213-E215 PolarHBondContact O-N 3.32Å; P213-E215 VanDerWaalsContact O-N 3.1Å; E215-H218 PolarHBondContact O-N 3Å; E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.4Å; E215-A219 PolarHBondContact O-N 2.97Å
216I80.3Confident78.1Confident49 Ų4969.5 Ų69.525%0.25137%0.37SS..Hα-helixtrans-69.7-37.1176.1-62.1-175.5000110.6F135 F137 L207 P213 A219 W220F135-I216 HydrophobicContact CE2-CD1 4.15Å; F135-I216 HydrophobicContact CZ-CD1 4.01Å; F135-I216 HydrophobicContact CZ-CG1 4.15Å; F135-I216 HydrophobicContact CZ-CG2 4.19Å; F137-I216 HydrophobicContact CD1-CG2 3.94Å; F137-I216 HydrophobicContact CE1-CG2 3.95Å; F137-I216 WeakPolarHBondContact CE1-O 3.41Å; L207-I216 HydrophobicContact CD1-CG2 4.31Å; P213-I216 HydrophobicContact CB-CG1 4.43Å; P213-I216 HydrophobicContact CG-CD1 4.35Å; P213-I216 WeakPolarHBondContact O-CA 3.38Å; P213-I216 WeakPolarHBondContact O-CB 3.15Å; P213-I216 PolarHBondContact O-N 3.4Å; I216-A219 PolarHBondContact O-N 2.92Å; I216-W220 WeakPolarHBondContact O-CB 3.44Å; I216-W220 PolarHBondContact O-N 3.05Å
217M80.7Confident77Confident72 Ų7268 Ų6836%0.35536%0.363SS..Hα-helixtrans-62.6-48.9172.9-66.4-164-73.300111.4L207 S212 P213 M214 A219 W220 E221L207-M217 HydrophobicContact CD1-CG 4.21Å; S212-M217 VanDerWaalsContact OG-CG 3.27Å; S212-M217 WeakPolarHBondContact OG-CG 3.32Å; P213-M217 PolarHBondContact O-N 3.06Å; M214-M217 HydrophobicContact CB-CE 4.38Å; M214-M217 HydrophobicContact CG-CE 3.83Å; M214-M217 PolarHBondContact O-N 2.96Å; M214-M217 HydrophobicContact SD-CE 4.3Å; M217-A219 PolarHBondContact O-N 2.82Å; M217-W220 WeakPolarHBondContact O-CB 3.27Å; M217-W220 PolarHBondContact O-N 3.44Å; M217-E221 WeakPolarHBondContact O-CG 3.43Å; M217-E221 PolarHBondContact O-N 2.79Å
218H80.4Confident75.2Confident113 Ų11370.2 Ų70.252%0.52338%0.375SS..Hα-helixtrans-61.7-43175.9-64.7152.4000112.2M214 E215 W220 E221 D222M214-H218 WeakPolarHBondContact O-CB 3.42Å; M214-H218 PolarHBondContact O-N 2.72Å; M214-H218 PolarHBondContact O-ND1 3.49Å; E215-H218 PolarHBondContact O-N 3Å; H218-W220 VanDerWaalsContact C-N 3.27Å; H218-W220 PolarHBondContact O-N 3.21Å; H218-E221 CarbonylContact O-C 3.56Å; H218-E221 WeakPolarHBondContact O-CA 3.47Å; H218-E221 WeakPolarHBondContact O-CB 3.5Å; H218-E221 PolarHBondContact O-N 2.73Å; H218-E221 VanDerWaalsContact O-N 3.1Å; H218-D222 PolarHBondContact O-N 3.01Å
219A81.2Confident73.6Confident10 Ų1072 Ų728%0.08340%0.398CS..Hα-helixtrans-63.8-32.217600000112.5L131 F137 E215 I216 M217 V223L131-A219 HydrophobicContact CD1-CB 4.32Å; L131-A219 HydrophobicContact CD2-CB 3.98Å; F137-A219 HydrophobicContact CE1-CB 4.09Å; F137-A219 HydrophobicContact CZ-CB 3.82Å; E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.4Å; E215-A219 PolarHBondContact O-N 2.97Å; I216-A219 PolarHBondContact O-N 2.92Å; M217-A219 PolarHBondContact O-N 2.82Å; A219-V223 WeakPolarHBondContact O-CB 3.46Å; A219-V223 WeakPolarHBondContact O-CG2 3.41Å; A219-V223 PolarHBondContact O-N 3.29Å
220W84.6Confident71.8Confident7 Ų768.4 Ų68.43%0.02738%0.383CS..Hα-helixtrans-72-37.3171.4-178.6-123.1000112.4F137 V139 F151 W201 L205 L207 I216 M217 H218 V223 K224F137-W220 HydrophobicContact CB-CE3 4.1Å; F137-W220 HydrophobicContact CB-CZ3 4.36Å; F137-W220 HydrophobicContact CD1-CB 3.95Å; F137-W220 HydrophobicContact CD1-CD2 4.49Å; F137-W220 HydrophobicContact CD1-CE3 4.06Å; F137-W220 HydrophobicContact CD1-CG 4.49Å; F137-W220 AromaticContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CE3 3.95Å; F137-W220 HydrophobicContact CD2-CZ3 4.35Å; F137-W220 HydrophobicContact CE1-CB 3.72Å; F137-W220 HydrophobicContact CE1-CE3 4.43Å; F137-W220 HydrophobicContact CE2-CE3 4.34Å; F137-W220 AromaticContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CE3 3.78Å; F137-W220 HydrophobicContact CG-CZ3 4.37Å; F137-W220 HydrophobicContact CZ-CB 4.41Å; V139-W220 HydrophobicContact CG1-CE3 4.4Å; V139-W220 HydrophobicContact CG1-CH2 3.64Å; V139-W220 HydrophobicContact CG1-CZ2 3.76Å; V139-W220 HydrophobicContact CG1-CZ3 3.97Å; F151-W220 HydrophobicContact CB-CZ3 4.35Å; F151-W220 HydrophobicContact CD1-CZ3 4.08Å; F151-W220 HydrophobicContact CD2-CH2 4.11Å; F151-W220 HydrophobicContact CD2-CZ3 4.04Å; F151-W220 HydrophobicContact CE1-CZ3 4.39Å; F151-W220 HydrophobicContact CE2-CH2 4.49Å; F151-W220 HydrophobicContact CE2-CZ3 4.35Å; F151-W220 HydrophobicContact CG-CH2 4.35Å; F151-W220 AromaticContact CG-CZ3 3.92Å; F151-W220 HydrophobicContact CG-CZ3 3.92Å; W201-W220 HydrophobicContact CZ3-CH2 4.16Å; L205-W220 HydrophobicContact CB-CZ2 4.44Å; L205-W220 HydrophobicContact CD2-CH2 3.8Å; L205-W220 HydrophobicContact CD2-CZ2 4.03Å; L205-W220 HydrophobicContact CG-CH2 4.23Å; L205-W220 HydrophobicContact CG-CZ2 3.97Å; L207-W220 HydrophobicContact CD1-CB 4.05Å; L207-W220 HydrophobicContact CD1-CG 4.21Å; L207-W220 HydrophobicContact CD2-CB 4.05Å; L207-W220 HydrophobicContact CD2-CD2 3.96Å; L207-W220 HydrophobicContact CD2-CG 3.7Å; L207-W220 HydrophobicContact CG-CB 4.22Å; L207-W220 HydrophobicContact CG-CD2 4.49Å; L207-W220 HydrophobicContact CG-CG 3.85Å; I216-W220 WeakPolarHBondContact O-CB 3.44Å; I216-W220 PolarHBondContact O-N 3.05Å; M217-W220 WeakPolarHBondContact O-CB 3.27Å; M217-W220 PolarHBondContact O-N 3.44Å; H218-W220 VanDerWaalsContact C-N 3.27Å; H218-W220 PolarHBondContact O-N 3.21Å; W220-V223 HydrophobicContact CE3-CB 4.21Å; W220-V223 HydrophobicContact CE3-CG1 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 3.78Å; W220-V223 PolarHBondContact O-N 3.42Å; W220-K224 HydrophobicContact CD2-CG 4.46Å; W220-K224 HydrophobicContact CZ2-CD 4.34Å; W220-K224 HydrophobicContact CZ2-CG 4.24Å; W220-K224 WeakPolarHBondContact O-CE 3.46Å; W220-K224 WeakPolarHBondContact O-CG 3.37Å; W220-K224 PolarHBondContact O-N 3.02Å
221E82Confident70.4Confident111 Ų11164.2 Ų64.252%0.51938%0.376SS..Hα-helixtrans-59.4-46.9170.9-61.4-94.6100.900110.8M217 H218 K224 A225M217-E221 WeakPolarHBondContact O-CG 3.43Å; M217-E221 PolarHBondContact O-N 2.79Å; H218-E221 CarbonylContact O-C 3.56Å; H218-E221 WeakPolarHBondContact O-CA 3.47Å; H218-E221 WeakPolarHBondContact O-CB 3.5Å; H218-E221 PolarHBondContact O-N 2.73Å; H218-E221 VanDerWaalsContact O-N 3.1Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 2.91Å; E221-K224 WeakPolarHBondContact OE1-CE 3.39Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.83Å; E221-A225 VanDerWaalsContact O-CB 3.28Å; E221-A225 WeakPolarHBondContact O-CB 3.13Å; E221-A225 PolarHBondContact O-N 2.88Å
222D78.3Confident69.3Low84 Ų8472 Ų7245%0.44939%0.386SS..Hα-helixtrans-62.3-44.3174.9-80.2-27.1000112H218 K224 A225 M226H218-D222 PolarHBondContact O-N 3.01Å; D222-K224 VanDerWaalsContact C-N 3.32Å; D222-K224 PolarHBondContact O-N 2.95Å; D222-A225 CarbonylContact O-C 3.16Å; D222-A225 WeakPolarHBondContact O-CA 3.43Å; D222-A225 PolarHBondContact O-N 3.32Å; D222-M226 WeakPolarHBondContact O-CG 3.5Å; D222-M226 PolarHBondContact O-N 3.25Å
223V78.9Confident67.6Low10 Ų1080.5 Ų80.56%0.06142%0.422CS..Hα-helixtrans-61.9-38175.1163.40000112.1F137 F151 A219 W220 A225F137-V223 HydrophobicContact CE2-CG2 3.85Å; F137-V223 HydrophobicContact CZ-CG2 4.2Å; F151-V223 HydrophobicContact CD1-CG1 4.4Å; F151-V223 HydrophobicContact CE1-CG1 3.54Å; F151-V223 HydrophobicContact CE2-CG1 4.44Å; F151-V223 HydrophobicContact CZ-CG1 3.57Å; A219-V223 WeakPolarHBondContact O-CB 3.46Å; A219-V223 WeakPolarHBondContact O-CG2 3.41Å; A219-V223 PolarHBondContact O-N 3.29Å; W220-V223 HydrophobicContact CE3-CB 4.21Å; W220-V223 HydrophobicContact CE3-CG1 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 3.78Å; W220-V223 PolarHBondContact O-N 3.42Å; V223-A225 VanDerWaalsContact C-N 3.35Å
224K78.8Confident65.5Low39 Ų3986.8 Ų86.817%0.1744%0.436CS..Hα-helixtrans-65.5-38.2170.7-70.3173.4-63.2-179.20111.3R202 W220 E221 D222R202-K224 HydrophobicContact CB-CG 4.4Å; R202-K224 WeakPolarHBondContact CD-O 3.33Å; R202-K224 HydrophobicContact CG-CB 4.49Å; W220-K224 HydrophobicContact CD2-CG 4.46Å; W220-K224 HydrophobicContact CZ2-CD 4.34Å; W220-K224 HydrophobicContact CZ2-CG 4.24Å; W220-K224 WeakPolarHBondContact O-CE 3.46Å; W220-K224 WeakPolarHBondContact O-CG 3.37Å; W220-K224 PolarHBondContact O-N 3.02Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 2.91Å; E221-K224 WeakPolarHBondContact OE1-CE 3.39Å; E221-K224 IonicContact OE1-NZ 3.28Å; E221-K224 PolarHBondContact OE1-NZ 2.83Å; D222-K224 VanDerWaalsContact C-N 3.32Å; D222-K224 PolarHBondContact O-N 2.95Å
225A71.6Confident63.5Low52 Ų5286.6 Ų86.643%0.4344%0.442SS..Hα-helixtrans-79.1-33.6-175.500000114.6E221 D222 V223 F227 N228E221-A225 VanDerWaalsContact O-CB 3.28Å; E221-A225 WeakPolarHBondContact O-CB 3.13Å; E221-A225 PolarHBondContact O-N 2.88Å; D222-A225 CarbonylContact O-C 3.16Å; D222-A225 WeakPolarHBondContact O-CA 3.43Å; D222-A225 PolarHBondContact O-N 3.32Å; V223-A225 VanDerWaalsContact C-N 3.35Å; A225-F227 PolarHBondContact O-N 3.1Å; A225-N228 WeakPolarHBondContact O-CB 3.25Å; A225-N228 PolarHBondContact O-N 3.21Å
226M64.8Low61.3Low53 Ų5385.6 Ų85.626%0.26144%0.441SS..Hα-helixtrans-50.4-39.9170.6-77.7-179.678.600111.3P128 D222P128-M226 HydrophobicContact CB-CE 3.88Å; P128-M226 HydrophobicContact CB-SD 3.62Å; P128-M226 HydrophobicContact CG-CE 3.7Å; P128-M226 HydrophobicContact CG-SD 3.99Å; D222-M226 WeakPolarHBondContact O-CG 3.5Å; D222-M226 PolarHBondContact O-N 3.25Å
227F63.9Low59.5Low53 Ų5389.1 Ų89.123%0.23247%0.467CS..THydrogen-bonded Turntrans-96.713.4-176.8-68.7-93.1000113Y156 W201 R202 A225 G229Y156-F227 HydrophobicContact CD1-CD1 4.3Å; Y156-F227 AromaticContact CD1-CD2 3.84Å; Y156-F227 HydrophobicContact CD1-CD2 3.84Å; Y156-F227 AromaticContact CD1-CE1 3.82Å; Y156-F227 HydrophobicContact CD1-CE1 3.82Å; Y156-F227 AromaticContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CE2 3.32Å; Y156-F227 HydrophobicContact CD1-CG 4.32Å; Y156-F227 AromaticContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CD1-CZ 3.3Å; Y156-F227 HydrophobicContact CE1-CB 4.44Å; Y156-F227 AromaticContact CE1-CD1 3.51Å; Y156-F227 HydrophobicContact CE1-CD1 3.51Å; Y156-F227 AromaticContact CE1-CD2 3.39Å; Y156-F227 HydrophobicContact CE1-CD2 3.39Å; Y156-F227 AromaticContact CE1-CE1 3.46Å; Y156-F227 HydrophobicContact CE1-CE1 3.46Å; Y156-F227 VanDerWaalsContact CE1-CE1 3.46Å; Y156-F227 AromaticContact CE1-CE2 3.37Å; Y156-F227 HydrophobicContact CE1-CE2 3.37Å; Y156-F227 AromaticContact CE1-CG 3.48Å; Y156-F227 HydrophobicContact CE1-CG 3.48Å; Y156-F227 VanDerWaalsContact CE1-CG 3.48Å; Y156-F227 AromaticContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CE1-CZ 3.4Å; Y156-F227 HydrophobicContact CG-CE2 4.48Å; Y156-F227 HydrophobicContact CG-CZ 4.15Å; Y156-F227 AromaticContact CZ-CD1 3.86Å; Y156-F227 AromaticContact CZ-CE1 3.9Å; W201-F227 HydrophobicContact CZ2-CB 4.45Å; R202-F227 PolarHBondContact NE-O 3.29Å; R202-F227 PolarHBondContact NH2-O 3.49Å; A225-F227 PolarHBondContact O-N 3.1Å; F227-G229 PolarHBondContact O-N 3.43Å
228N53.6Low57Low73 Ų7389.2 Ų89.239%0.3949%0.487SS..  trans-72.2109.1155.7-101.3-1.5000108.5A225 G230A225-N228 WeakPolarHBondContact O-CB 3.25Å; A225-N228 PolarHBondContact O-N 3.21Å; N228-G230 PolarHBondContact O-N 3Å
229G50.4Low54.6Low70 Ų7090.1 Ų90.172%0.72251%0.506SS*.SBendtrans-67.950.7163.800000112A78 F227A78-G229 WeakPolarHBondContact CA-O 3.31Å; A78-G229 VanDerWaalsContact CB-O 3.24Å; A78-G229 WeakPolarHBondContact CB-O 3.29Å; F227-G229 PolarHBondContact O-N 3.43Å
230G43.5Very low52.3Low13 Ų1393.7 Ų93.713%0.13454%0.543CS..SBendtrans15799.4-173.600000110.1A78 N228 R232A78-G230 WeakPolarHBondContact O-CA 3.29Å; N228-G230 PolarHBondContact O-N 3Å; G230-R232 PolarHBondContact O-N 2.86Å
231S37.5Very low49.8Very low96 Ų9699.3 Ų99.367%0.67158%0.584SS**  trans-73.873174.5-169.50000109.6K233S231-K233 PolarHBondContact O-N 2.96Å
232R42.5Very low47.3Very low226 Ų22697.5 Ų97.585%0.85360%0.595SS**  trans-71.784.1166.8-66.1-173.8-174.4-1223.4107.3G230 R234G230-R232 PolarHBondContact O-N 2.86Å; R232-R234 VanDerWaalsContact C-N 3.25Å; R232-R234 PolarHBondContact O-N 3.24Å
233K37.3Very low45Very low189 Ų18998.8 Ų98.882%0.82261%0.611SS**  trans-59.296.1160.2-77.4-155.4173.3-163.10107.5S231 T235S231-K233 PolarHBondContact O-N 2.96Å; K233-T235 PolarHBondContact O-N 2.7Å; K233-T235 VanDerWaalsContact O-N 3.09Å
234R33.7Very low42.6Very low210 Ų210106 Ų10679%0.79265%0.648SS**  trans-71.499.2164.8-179.3-175.6-73159.8-6.4106.2R232 L236R232-R234 VanDerWaalsContact C-N 3.25Å; R232-R234 PolarHBondContact O-N 3.24Å; R234-L236 HydrophobicContact CG-CD2 4.05Å; R234-L236 HydrophobicContact CG-CG 4.05Å; R234-L236 PolarHBondContact O-N 3.17Å
235T33.5Very low40.3Very low128 Ų128109.4 Ų109.479%0.78568%0.677SS**  trans-61.810016245.80000108K233K233-T235 PolarHBondContact O-N 2.7Å; K233-T235 VanDerWaalsContact O-N 3.09Å
236L29.3Very low39Very low140 Ų140112.1 Ų112.173%0.73369%0.691SS**  trans-88.5118.3162.1-72.5179.2000107.8R234R234-L236 HydrophobicContact CG-CD2 4.05Å; R234-L236 HydrophobicContact CG-CG 4.05Å; R234-L236 PolarHBondContact O-N 3.17Å
237P43.3Very low37.3Very low122 Ų122117.9 Ų117.979%0.79272%0.721SS**  trans-77.5153.215834.1-32000109.5
238G28.5Very low35.8Very low75 Ų75123.2 Ų123.277%0.77375%0.745SS**  trans108.895.3165.400000115.6
239S29.5Very low34.5Very low132 Ų132128.4 Ų128.492%0.92377%0.772SS**  trans-152.984.2146.3-780000107.1
240G33.6Very low33.6Very low84 Ų84132.4 Ų132.487%0.86677%0.771SS**  trans-102.7108.2178.900000110.6
241S31.6Very low32.8Very low126 Ų126135.3 Ų135.388%0.88180%0.801SS**  trans-165.7136.5162-164.80000107.3
242G29.7Very low33.3Very low73 Ų73136.8 Ų136.875%0.75381%0.808SS**  cis151.596.5-0.800000110
243S30.1Very low32.7Very low111 Ų111133.3 Ų133.378%0.77681%0.807SS**  trans-155.2106.7172.6-165.10000112.2
244N28.6Very low32.2Very low160 Ų160134.9 Ų134.986%0.85681%0.808SS**  trans38.3138.5142.8-57.5-11.8000122.6
245S30.3Very low31.9Very low111 Ų111128.6 Ų128.678%0.77680%0.796SS**  trans-87.5-175.4169.470.80000110.8
246P44.6Very low31.7Very low110 Ų110130.4 Ų130.471%0.71480%0.795SS**  cis-125.4177.339.536.2-14.6000113
247L28.7Very low31.5Very low173 Ų173130.4 Ų130.491%0.90680%0.796SS**  -155.517062.9-83168.8000113.8
248K31.3Very low30.7Very low166 Ų166129.7 Ų129.772%0.72279%0.794SS**  trans-123.2134.5-171.7168.9-170.5172.8-172.50110.9Q250K248-Q250 VanDerWaalsContact CE-OE1 3.24Å
249L27.9Very low31.6Very low182 Ų182132.3 Ų132.395%0.95380%0.797SS**  trans-144.3162.8162.6-101.6168.5000110.2
250Q30.9Very low31.4Very low154 Ų154134 Ų13472%0.7279%0.791SS**  trans-145.1109.4-141.8-175.8170.3-30.700116.7K248K248-Q250 VanDerWaalsContact CE-OE1 3.24Å
251G25.6Very low31.4Very low73 Ų73136.8 Ų136.875%0.75378%0.784SS**  trans77.4-175.4156.400000118.5
252P48.3Very low31.8Very low127 Ų127136.5 Ų136.583%0.82578%0.779SS**  cis-144.8160.6-3.843.4-25.7000118.9
253N29.5Very low31.9Very low154 Ų154136.9 Ų136.982%0.82478%0.775SS**  trans88.3151.6139.4-141.90.5000124.4
254R27.3Very low31.8Very low222 Ų222141.3 Ų141.384%0.83878%0.78SS**  trans89.6138.9167.4-71.4-168.5167.9-133.6-3.5120.6
255S28.5Very low32.2Very low78 Ų78141.3 Ų141.355%0.54578%0.779SS.*  cis-178.8144.2-33.941.90000112.9
256Q29.1Very low32Very low165 Ų165143.8 Ų143.877%0.77178%0.782SS**  trans78.3120.5152.1-74-177.6-95.200123.9
257D25.2Very low31Very low141 Ų141144 Ų14475%0.75479%0.786SS**  82.8156.9121.6-54.8-13.3000125.7
258S27Very low31.1Very low106 Ų106141.2 Ų141.274%0.74178%0.779SS**  trans-137157.6-174177.10000109.5
259P46.6Very low31.2Very low131 Ų131141.9 Ų141.985%0.85179%0.785SS**  -152.5-171.6126.337.5-18.2000116.5
260E24.3Very low31.1Very low167 Ų167140 Ų14078%0.7878%0.776SS**  trans-106.2153.7-164.5-73.1177.382.700118.5
261I33.6Very low31.2Very low143 Ų143136.5 Ų136.573%0.73377%0.765SS**  32.2129.3127.1-53.2169.1000119.5
262P40.8Very low31.5Very low119 Ų119144.4 Ų144.477%0.77377%0.772SS**  -155.8124.6105.536.2-14.8000121.2
263A31.9Very low30.5Very low81 Ų81142.3 Ų142.367%0.66977%0.774SS**  55.5144122.600000126.5
264K28.8Very low30.5Very low204 Ų204139.2 Ų139.289%0.88777%0.77SS**  trans-166.2-171.6136.7-100.9137.2-157.4160.80114
265I35.2Very low30.8Very low161 Ų161137.3 Ų137.383%0.82677%0.772SS**  trans-134.6176.8-146.1-63.8148.9000112.6
266I27.5Very low30.9Very low163 Ų163140 Ų14084%0.83679%0.786SS**  trans103.9120.7171.7-58.4173.4000113
267S22.8Very low31Very low114 Ų114138.3 Ų138.380%0.79779%0.792SS**  cis-156.6170.9-4.7-163.60000113.1
268C31.5Very low31.5Very low114 Ų114136 Ų13677%0.7779%0.793SS**  trans-62.1172.9178.8-57.70000116.6
269E32.3Very low31.9Very low180 Ų180142.6 Ų142.684%0.84180%0.802SS**  cis179.2145.6-24171.8161.167.100109.2
270D27Very low31.1Very low142 Ų142141.9 Ų141.976%0.75980%0.8SS**  trans-169.2125.2135.6-162.634.9000115.4
271T33Very low31.6Very low81 Ų81143.4 Ų143.450%0.49780%0.8SS.*  trans40104.1142.4-58.80000124.1
272R31.8Very low31.9Very low239 Ų239142.6 Ų142.690%0.90280%0.804SS**  trans60.3122.9132.4-56.3173-153.5163.29.2121.9
273G26.9Very low32.1Very low83 Ų83143.3 Ų143.386%0.85681%0.806SS**  trans-173.7125.7153.700000111
274A29.5Very low32.4Very low89 Ų89146.6 Ų146.674%0.73681%0.81SS**  trans-110.3142.1-172.200000112.8
275M33Very low33.1Very low182 Ų182142.7 Ų142.790%0.89781%0.806SS**  168.7154.5123.763.4-167.976.800113.5
276T31.3Very low33.1Very low135 Ų135141 Ų14183%0.82880%0.803SS**  trans-24.8135.8177.146.60000119.5
277S31.8Very low33.7Very low129 Ų129139.4 Ų139.490%0.90280%0.803SS**  trans-98129.9166.3-172.10000111.3
278A34.9Very low34.2Very low94 Ų94139.5 Ų139.578%0.77780%0.804SS**  trans-123.2144.5175.700000111.2
279R34.8Very low34.7Very low244 Ų244144.4 Ų144.492%0.92181%0.812SS**  trans-73.3134.8-172.7-68.3-179.1174-170.3-1.7112.4
280S30.5Very low35Very low116 Ų116139.2 Ų139.281%0.81181%0.807SS**  trans-90.2140.6174.2-173.10000112.3
281Y34.3Very low35.5Very low199 Ų199143 Ų14378%0.7882%0.817SS**  trans-124.5139.7167.7-96.8-87.9000108.8
282P40.9Very low35.6Very low125 Ų125142.7 Ų142.781%0.81283%0.83SS**PPolyproline II helixtrans-75.4128.1-175.229.5-34.5000112.5
283V43.7Very low36.4Very low135 Ų135139.8 Ų139.882%0.81883%0.83SS**PPolyproline II helixtrans-102.6140.8174.3178.60000110.1
284I39.3Very low37.1Very low149 Ų149143.7 Ų143.776%0.76483%0.83SS**PPolyproline II helixtrans-81.3129.3-176.3-58.3170.4000110.1
285P42.4Very low38Very low123 Ų123147.6 Ų147.680%0.79983%0.833SS**PPolyproline II helixtrans-70.5140.2177.3-18.632000113.4
286V36.4Very low38.1Very low124 Ų124148.4 Ų148.475%0.75283%0.832SS**  trans-117.2133.1169.9-174.80000108.1S288V286-S288 PolarHBondContact O-N 3.37Å
287P38.8Very low38.9Very low130 Ų130149.1 Ų149.184%0.84483%0.829SS**  trans-80.1116.7-169.330.1-34.7000113
288S34.3Very low39.6Very low116 Ų116148.2 Ų148.281%0.81182%0.82SS**  trans-115.4139.7171.1-78.20000111.8V286V286-S288 PolarHBondContact O-N 3.37Å
289K41.8Very low40.1Very low217 Ų217149 Ų14994%0.94382%0.818SS**  trans-55.1134.9179.3-91.8170.3169.8171.10112.6
290G37.6Very low40.6Very low72 Ų72143.6 Ų143.674%0.74281%0.814SS**  trans-138.7142.6163.100000110.2
291F38.2Very low41.3Very low222 Ų222145.9 Ų145.997%0.97482%0.816SS**  trans-84144176.1-86.1-106.9000110.9
292G35.1Very low41.8Very low73 Ų73146.3 Ų146.375%0.75382%0.822SS**  trans-156.5128.1171.900000110.6
293I48.8Very low41.9Very low178 Ų178145.5 Ų145.591%0.91382%0.817SS**  trans-73.6137178.3-76.6168.8000109.7
294L42.2Very low41.5Very low165 Ų165147.7 Ų147.786%0.86482%0.818SS**  trans-127.9138.5172.2-168.864.6000111.3
295Q48Very low41.5Very low171 Ų171145.8 Ų145.880%0.79982%0.816SS**  trans-64.3146.4179-78.5-74.41.800112.6I297Q295-I297 PolarHBondContact O-N 2.81Å
296K35.2Very low41.5Very low199 Ų199150.6 Ų150.687%0.86582%0.819SS**  trans-93.299.1-173.4-177.2-176.8177.6-177.50111.6
297I46.8Very low41.4Very low151 Ų151148.4 Ų148.477%0.77482%0.822SS**  trans-105.3128.7168.2-58177.4000108.6Q295Q295-I297 PolarHBondContact O-N 2.81Å
298P46.9Very low41.4Very low110 Ų110151.6 Ų151.671%0.71482%0.823SS**PPolyproline II helixtrans-82.5132.5-176.231.3-33.5000112.9
299P46.2Very low42.1Very low111 Ų111150.4 Ų150.472%0.72181%0.812SS**PPolyproline II helixtrans-78.1161.7168.133-34000112
300P44.1Very low41.7Very low130 Ų130145 Ų14584%0.84481%0.808SS**PPolyproline II helixtrans-75.4153-168.229.8-36.4000114.9
301L46.1Very low41.7Very low163 Ų163150.6 Ų150.685%0.85381%0.812SS**PPolyproline II helixtrans-89.4120.6177.4-63.7168.2000111.5
302F44Very low41.6Very low208 Ų208143.9 Ų143.991%0.91281%0.806SS**  trans-151.1150.1145.8-88-65.2000109.6
303P44.3Very low41.6Very low108 Ų108148.9 Ų148.970%0.70181%0.814SS**  trans-90.1161.5-155.834.9-37.6000114.8
304H34.3Very low40.8Very low182 Ų182145.9 Ų145.984%0.84381%0.807SS**  trans-126.4139.6152.7-80.634.1000108
305P40.8Very low40.4Very low109 Ų109147 Ų14771%0.70881%0.808SS**SBendtrans-81.5156.8-178.334.7-36.1000112.3
306Y41.5Very low39.6Very low224 Ų224148.1 Ų148.188%0.87881%0.811SS**  trans62.786.1174.7-57-76.5000116.9
307G34.7Very low39.4Very low78 Ų78147.1 Ų147.180%0.80481%0.806SS**PPolyproline II helixtrans-97.4142.2155.200000111.2
308F39.3Very low38.5Very low197 Ų197145.6 Ų145.686%0.86480%0.8SS**PPolyproline II helixtrans-96.5147.3169.2-88.2-98.6000110.7
309P47.1Very low37.7Very low90 Ų90147.3 Ų147.358%0.58480%0.803SS**PPolyproline II helixtrans-76.8139.4-179.331.1-34.7000112.4F311P309-F311 HydrophobicContact CB-CE1 4.43Å; P309-F311 HydrophobicContact CB-CZ 4.19Å; P309-F311 HydrophobicContact CG-CE1 4.39Å; P309-F311 HydrophobicContact CG-CE2 4.15Å; P309-F311 HydrophobicContact CG-CZ 3.73Å
310A35.1Very low36.9Very low103 Ų103145 Ų14585%0.85180%0.8SS**PPolyproline II helixtrans-100.6123.616400000109.1
311F36.4Very low36.3Very low191 Ų191146 Ų14684%0.83880%0.796SS**PPolyproline II helixtrans-84.8137.6-178.1-56.6-80.7000111.1P309P309-F311 HydrophobicContact CB-CE1 4.43Å; P309-F311 HydrophobicContact CB-CZ 4.19Å; P309-F311 HydrophobicContact CG-CE1 4.39Å; P309-F311 HydrophobicContact CG-CE2 4.15Å; P309-F311 HydrophobicContact CG-CZ 3.73Å
312G35.6Very low35.6Very low81 Ų81146.3 Ų146.384%0.83580%0.797SS**PPolyproline II helixtrans-85.2156.6-169.700000115.1
313L35.1Very low34.9Very low178 Ų178139.7 Ų139.793%0.93279%0.787SS**PPolyproline II helixtrans-76.7130.9168.3-71.8162.8000110.7
314C32.7Very low34.2Very low114 Ų114142.4 Ų142.477%0.7779%0.79SS**  trans-154.5123.1159.8-1160000115.2
315Q34.3Very low34.2Very low189 Ų189141 Ų14188%0.88378%0.784SS**  trans72.3169.6150.9-57.4-164.22900120.5
316K30.7Very low33.7Very low195 Ų195140.2 Ų140.285%0.84878%0.781SS**  trans-140.6165.9-160.6149.5-173.5173.8-176.80106.1
317K30.4Very low33.2Very low178 Ų178138.9 Ų138.977%0.77478%0.78SS**  trans102.1135.7178-159.5-176.8-175.8-178.40111.7
318D28.1Very low33.1Very low118 Ų118140.1 Ų140.163%0.63178%0.783SS**  cis-148.3-179.3-10.4-107.9165000110
319D30.3Very low32.7Very low147 Ų147134.1 Ų134.179%0.78678%0.776SS**  trans5.1138.3158.2-71.3-106.2000122.7
320G30.5Very low32Very low63 Ų63138 Ų13865%0.64979%0.791SS**  131.295.3107.800000121.2
321I30.5Very low32.9Very low151 Ų151139 Ų13977%0.77479%0.788SS**  72.7125.9121.8-68.2167.9000121.5
322I31.8Very low32.6Very low169 Ų169133 Ų13387%0.86778%0.781SS**  trans78.6145.5154-77165.8000121.7
323G30.1Very low32.9Very low68 Ų68135.6 Ų135.670%0.70178%0.78SS**  trans96.3104.5164.700000114.2
324E28.9Very low32.9Very low165 Ų165135 Ų13577%0.77178%0.778SS**  cis97.9107.731.4-159.5-177.9166.700115.7
325Q33.6Very low32.9Very low153 Ų153141 Ų14172%0.71578%0.784SS**  trans57.9140.8151.5-70.4-164.178.800125.3
326S30Very low33.7Very low93 Ų93137.7 Ų137.765%0.6578%0.779SS**  trans90.8109.8132-82.30000123.8
327K31.9Very low33.6Very low196 Ų196132.1 Ų132.185%0.85278%0.776SS**  47.3111.8124.2-70.2-174.2174177.10121.6
328A33Very low34Very low104 Ų104130.2 Ų130.286%0.8678%0.78SS**  66.9137.1119.500000122.4
329G30.3Very low34.2Very low70 Ų70132.6 Ų132.672%0.72279%0.785SS**  trans145.476.2135.600000121.5
330L33.5Very low34.4Very low172 Ų172131.4 Ų131.490%0.90178%0.778SS**  trans62.4-165150-54.8172.3000115.7
331P52.8Low34.5Very low123 Ų123134 Ų13480%0.79979%0.787SS**  -138.2166.9-96.342.8-25.3000117.6
332G30.3Very low34.7Very low67 Ų67131.4 Ų131.469%0.69179%0.788SS**  trans121.9140.7134.400000120.4
333V41.7Very low34.6Very low134 Ų134133.7 Ų133.781%0.81279%0.787SS**  trans52.6120.7143.7-150.20000120.1
334L34.5Very low35.4Very low167 Ų167135.4 Ų135.487%0.87479%0.786SS**  172.9143.1115.5-88.6164.2000113.9
335W33.7Very low35.5Very low240 Ų240131.3 Ų131.391%0.90978%0.776SS**  trans-93.3-172.3168.5-83.683.7000109.9
336P50.8Low35.6Very low119 Ų119133.2 Ų133.277%0.77378%0.782SS**  cis-130.3-165.8-13.630.9-8.3000113.2
337G29.4Very low36.5Very low77 Ų77134.2 Ų134.279%0.79479%0.786SS**  trans161.7124.7152.700000117
338T37.9Very low36.8Very low139 Ų139133.3 Ų133.385%0.85379%0.787SS**  trans-111.5161.4-173.150.10000115.2
339K31.8Very low37.1Very low167 Ų167137.7 Ų137.773%0.72679%0.787SS**  trans104.7138.6131.5-120.5-174.9170.7-76.70122.7
340D36.4Very low37.5Very low122 Ų122143.6 Ų143.665%0.65279%0.788SS**  trans82.4118.2143.1-75.7-15.8000125.9
341S32.6Very low37.8Very low118 Ų118140.9 Ų140.983%0.82578%0.78SS**  84.8109.9125.3-159.60000122.9
342A33.3Very low36.8Very low97 Ų97140.1 Ų140.180%0.80277%0.774SS**  -176.7150.8123.400000112.7
343Y31Very low37.4Very low217 Ų217141.6 Ų141.685%0.85178%0.779SS**  trans-111.4175.8173.5-131.8-125000108.6
344P46.2Very low36.9Very low104 Ų104138.6 Ų138.668%0.67578%0.775SS**  cis-148.7173.819.345.9-26000120.2
345S31.4Very low37.1Very low79 Ų79137 Ų13755%0.55278%0.775SS**  trans67.1109137.7-700000125.4
346F35.6Very low37.6Very low193 Ų193132.9 Ų132.985%0.84677%0.77SS**  65.2160.5124.7-70.6-61.9000123.1
347P49.1Very low36.9Very low114 Ų114133.1 Ų133.174%0.7477%0.771SS**  cis-127.9163.4-22.435.6-19.9000114.5
348M37.4Very low37.5Very low177 Ų177137.4 Ų137.487%0.87277%0.773SS**  trans-133.9132.5156.5-99.2-68.6-7800109.7
349F39.9Very low37.5Very low196 Ų196135.8 Ų135.886%0.8677%0.765SS**  trans-99.7112.1-169.9173.4-94000111.4
350W38.4Very low38Very low193 Ų193133.8 Ų133.873%0.73177%0.769SS**  trans-151144.8161.670.5-73.8000110.1
351P40.8Very low38.1Very low115 Ų115139 Ų13975%0.74778%0.781SS**PPolyproline II helixtrans-85.7121.2-179.831.9-32.4000112
352T31.8Very low38.1Very low108 Ų108137.6 Ų137.666%0.66378%0.776SS**PPolyproline II helixtrans-83.3148.9169-66.70000111
353A41.3Very low38Very low97 Ų97141.9 Ų141.980%0.80278%0.78SS**PPolyproline II helixtrans-72.2152.4178.900000113.9
354G32.8Very low38.2Very low71 Ų71138 Ų13873%0.73278%0.779SS**  trans-107.3158.9169.200000112.4
355P38.6Very low38Very low134 Ų134138 Ų13887%0.8778%0.778SS**  trans-98.2178.2-158.838.2-37.4000116.9
356L42.7Very low37.9Very low154 Ų154143 Ų14381%0.80679%0.793SS**  trans-57164.8-178.5-55.5168.5000114.7
357P37.3Very low37.4Very low123 Ų123143 Ų14380%0.79979%0.792SS**  -137.4155.897.138.3-28.3000115.7
358M41.3Very low37.3Very low167 Ų167142.5 Ų142.582%0.82379%0.789SS**  trans-139.1121.5174-113-75.1-73.100109.3
359P38.7Very low37.3Very low106 Ų106139.6 Ų139.669%0.68878%0.784SS**  trans-148.7176.3148.639.4-24.2000113.5
360P41.8Very low37.9Very low125 Ų125135.7 Ų135.781%0.81278%0.778SS**  cis-125.2-176.3-38.436.3-20.9000111.4
361Y38.8Very low37.3Very low232 Ų232134.8 Ų134.891%0.9178%0.782SS**  trans-117.1139.7175.1-160.3-88.5000111.2
362A31.7Very low36.8Very low87 Ų87135.9 Ų135.972%0.71978%0.781SS**  trans-151.3119.4178.300000114.4
363Q31.9Very low36.6Very low187 Ų187138.3 Ų138.387%0.87479%0.789SS**  trans41.6131.3145.1-53.9-173.812.800122
364T35.3Very low36Very low136 Ų136139.4 Ų139.483%0.83479%0.79SS**  trans-75.9154.9161.351.70000111.3
365P41Very low36.5Very low103 Ų103141.2 Ų141.267%0.66979%0.789SS**  -153.2178.9106.327-2.9000117.2
366H29.8Very low36Very low186 Ų186144.6 Ų144.686%0.86178%0.784SS**  trans110.5156.6155.1-66.1-71.7000122.7
367K24.6Very low35.2Very low191 Ų191142.7 Ų142.783%0.8377%0.771SS**  trans-140.2-176.7-168.5-131.9-173-178.9-177.90105.4
368P46.7Very low34.7Very low104 Ų104142.3 Ų142.368%0.67577%0.766SS**  cis-124.8-128.9-18.832.9-7.1000107.9
369P39.1Very low34Very low117 Ų117140.5 Ų140.576%0.7676%0.756SS**  cis-125-108.3-26.134.5-8.9000114.1
370P52.3Low33.8Very low114 Ų114141.7 Ų141.774%0.7476%0.761SS**  trans-136.7-179.8-157.343.1-19.6000118.4
371E25.3Very low33.1Very low174 Ų174141.7 Ų141.781%0.81375%0.754SS**  trans166.6153.7139.4-94-165.1174.300108.5
372L30.5Very low32.6Very low137 Ų137137.1 Ų137.172%0.71774%0.744SS**  cis-164.6177.5-31.9-117.9-179.7000107.4
373L27.4Very low32.6Very low159 Ų159137.9 Ų137.983%0.83274%0.744SS**  trans76.1111.3166.1-49.8-174.9000121.1
374C29Very low32.4Very low121 Ų121137.2 Ų137.282%0.81874%0.741SS**  trans-94.6170.8139.2-134.30000107.6
375P42.4Very low32Very low109 Ų109135.7 Ų135.771%0.70874%0.736SS**  -161.9-169.26241.4-17.2000118.6
376R28Very low31.4Very low205 Ų205135.5 Ų135.577%0.77474%0.737SS**  trans80.2115.8159.1-65.4-167.2105.3124.69.1118.5
377Q25.8Very low31.3Very low114 Ų114133.3 Ų133.353%0.53373%0.732SS.*  84.1147.685.8-75.2-164.5-71.100113.4E379Q377-E379 PolarHBondContact NE2-OE1 3.38Å; Q377-E379 PolarHBondContact NE2-OE2 3.48Å
378T27.3Very low31.6Very low115 Ų115134.5 Ų134.571%0.70673%0.731SS**  cis-146.315727.2-29.20000114.2
379E26.5Very low30.7Very low129 Ų129133.6 Ų133.660%0.60373%0.727SS**  trans-47.1165.6171.7-51.683.788.900115.4Q377Q377-E379 PolarHBondContact NE2-OE1 3.38Å; Q377-E379 PolarHBondContact NE2-OE2 3.48Å
380V35Very low30.6Very low130 Ų130133.6 Ų133.679%0.78873%0.725SS**  cis-144-147.724.5-138.50000110.6
381D26.5Very low29.6Very low126 Ų126135.2 Ų135.267%0.67473%0.727SS**  cis-162.2173.23.7-137.2142000114.9
382I29.1Very low29.8Very low135 Ų135132.5 Ų132.569%0.69272%0.723SS**  trans28116.6148.2-94.9159.7000122.1
383S30.3Very low29.7Very low103 Ų103131.5 Ų131.572%0.7273%0.728SS**  82.4145.880.5-79.50000115.5
384E27.5Very low30Very low174 Ų174132.2 Ų132.281%0.81372%0.724SS**  cis-165175.1-1.8-178.8173.2124.100110.2
385S28Very low29.9Very low104 Ų104132 Ų13273%0.72771%0.714SS**  trans78.4140.1169.571.10000118
386S28.9Very low29.4Very low99 Ų99131.4 Ų131.469%0.69271%0.713SS**  cis74.1136.643.8-85.10000113.6
387D26.8Very low29.8Very low140 Ų140127.5 Ų127.575%0.74971%0.712SS**  cis-170.6172.9-5.1-134.4-63.9000112.7
388R30.1Very low30.3Very low215 Ų215128.1 Ų128.181%0.81172%0.723SS**  trans64.2140138.2177177.1151-136.4-4.7124.2
389S29.8Very low30.4Very low85 Ų85128.7 Ų128.759%0.59472%0.722SS**  trans71.1130.1156.7-75.20000119.2
390T37Very low30.4Very low117 Ų117127.7 Ų127.772%0.71873%0.725SS**  cis79.3113.737.172.90000116.3
391N29.8Very low30.2Very low148 Ų148128.4 Ų128.479%0.79172%0.724SS**  trans-176.9110.1145.8-94.1-11.4000108.6
392T30.1Very low30.8Very low117 Ų117133.2 Ų133.272%0.71873%0.733SS**  82.9131.377.857.30000116.9
393S29.3Very low30.8Very low117 Ų117132.9 Ų132.982%0.81874%0.741SS**  trans85.5147.4158.984.80000117.6
394K32.4Very low30.9Very low174 Ų174133.1 Ų133.176%0.75774%0.743SS**  cis-158.6158.14.5-144.1-172.6176.8-98.20112.1
395D26.5Very low31Very low115 Ų115129.7 Ų129.762%0.61574%0.738SS**  trans44.6125.4154-86.6-88.3000120.9
396S33.3Very low31.2Very low97 Ų97130.2 Ų130.268%0.67874%0.737SS**  89.9136.474.7-159.10000112.7
397V35.5Very low31.3Very low123 Ų123134 Ų13475%0.74574%0.744SS**  cis-164.9167.20.1110.10000110.4
398V35.9Very low31.4Very low128 Ų128131.5 Ų131.578%0.77674%0.737SS**  trans72.4141.1163.6128.90000117.4
399D29.1Very low31.4Very low127 Ų127128.8 Ų128.868%0.67974%0.737SS**  cis-156.6153.5-15.7-141.4-131.1000112.8
400T27.9Very low32Very low108 Ų108135.8 Ų135.866%0.66375%0.75SS**  trans24.9128135.3-48.10000120.2
401D29.8Very low31.8Very low145 Ų145138 Ų13878%0.77576%0.758SS**  cis-161.2165.7-16.5-140.9-29.8000112.1
402R38.9Very low32.1Very low226 Ų226139.4 Ų139.485%0.85376%0.76SS**  trans-99.3151.2157.1-82.4175.7165.6158.9-5.3108.8
403C28.9Very low32.3Very low128 Ų128141 Ų14187%0.86576%0.764SS**  trans-150.6147.6141.2-113.80000114
404S33.3Very low32.5Very low109 Ų109140.8 Ų140.876%0.76275%0.754SS**  trans-160137.8170.3-760000109.2
405S30.2Very low32.7Very low102 Ų102140.9 Ų140.971%0.71375%0.754SS**  trans71.7111.6153.7-56.30000120.4
406T32Very low33Very low115 Ų115141.2 Ų141.271%0.70677%0.765SS**  78.2141.112560.10000122.4
407Q29.8Very low32.9Very low178 Ų178139.9 Ų139.983%0.83277%0.767SS**  trans72.5149.2156.5-71.7174.568.600116.9
408S29Very low32.7Very low87 Ų87141.8 Ų141.861%0.60877%0.773SS**  cis-167.1-170.9-17.658.50000110.6
409I30.6Very low32.9Very low159 Ų159144.7 Ų144.782%0.81578%0.779SS**  trans78.4149.4163.1-70.4166.3000116.6
410R42.1Very low33.2Very low231 Ų231142.4 Ų142.487%0.87278%0.784SS**  trans-112.6155.3178.2-73.4169.9150178.7-10.3109.6
411N32.5Very low33.8Very low164 Ų164149.1 Ų149.188%0.87780%0.798SS**  trans-154.2165.3143.2-97.9-20.6000109.1
412E36.8Very low34.8Very low177 Ų177147.9 Ų147.983%0.82780%0.798SS**  trans-80.1165.9-179.9-51.1-16586.800110.1
413D33.7Very low34.4Very low150 Ų150141.4 Ų141.480%0.80279%0.793SS**  -178.4-173.359.9-134.9-50.1000113.2
414D33.5Very low34.5Very low114 Ų114144.9 Ų144.961%0.6180%0.796SS**  trans71.485.9166-125.9-126.9000119.6
415K36.7Very low34.4Very low175 Ų175143.5 Ų143.576%0.76180%0.799SS**  72.998.4106.9-176.7-166.5-169.2172.70121.6
416S32.8Very low34.5Very low122 Ų122146.9 Ų146.985%0.85381%0.805SS**  trans-167.8141.8135.1-172.10000109.2
417G32.8Very low34.4Very low70 Ų70145.9 Ų145.972%0.72280%0.803SS**  cis139.371.8-3.600000114.5
418D31Very low34.7Very low162 Ų162145.4 Ų145.487%0.86681%0.805SS**  trans-160.4172.1158.2-154.64.4000112.7
419E39.7Very low35.4Very low190 Ų190146.8 Ų146.889%0.88881%0.812SS**  trans-82.8165-165-66.6-154.182.200118.3
420G35.6Very low35.4Very low78 Ų78143.4 Ų143.480%0.80481%0.808SS**  trans15994.6165.300000114.6
421R40.1Very low35.3Very low250 Ų250144 Ų14494%0.94381%0.81SS**  trans-109.6170-176.1-96.2-159.2171.7-176.80.2114.9
422P49.8Very low35.2Very low119 Ų119146.2 Ų146.277%0.77381%0.812SS**  trans-121.5175.1-147.944.7-36.2000117.3
423A30.9Very low35Very low90 Ų90145.8 Ų145.874%0.74482%0.815SS**  trans-164.2129.7149.400000107.4
424E32.6Very low34.9Very low201 Ų201144 Ų14494%0.93981%0.814SS**  68.8119.764.9-65.6-147.2130.200115.5
425G30.8Very low34.9Very low79 Ų79149.2 Ų149.281%0.81483%0.827SS**  trans172.574-176.800000118.2
426M31.6Very low34.8Very low173 Ų173147 Ų14785%0.85283%0.828SS**  trans25.2126.8156.1-113.863.177.200125.1
427S30.3Very low34.9Very low94 Ų94145.7 Ų145.766%0.65782%0.819SS**  trans68.5104.5133.9640000124.8
428L35.3Very low34.9Very low168 Ų168147 Ų14788%0.8882%0.823SS**  64158.9129.5-63.1178.2000121.7
429P44.1Very low35.2Very low117 Ų117148.7 Ų148.776%0.7682%0.823SS**  cis-125.3-177.8-1739.7-25000114
430A30Very low35.2Very low88 Ų88151.1 Ų151.173%0.72782%0.823SS**  trans127.8108.5144.600000118
431R40.8Very low35.7Very low242 Ų242153 Ų15391%0.91382%0.822SS**  trans29.6109.9138.1-58.3175.2-176.41481.3118.4
432K30.4Very low35.3Very low211 Ų211147.6 Ų147.692%0.91782%0.816SS**  trans-119.6134.9145.9-74.8-174.5176.5178.30109.6
433L32.4Very low35.1Very low168 Ų168149.7 Ų149.788%0.8882%0.819SS**PPolyproline II helixtrans-74.5146.1173.1-97.164000110.1
434S30.8Very low35.2Very low114 Ų114153.3 Ų153.380%0.79782%0.818SS**PPolyproline II helixtrans-71.6143.5170.7-71.10000111.4
435Y34Very low35.4Very low222 Ų222149.7 Ų149.787%0.87181%0.805SS**PPolyproline II helixtrans-68.5124170.6166.9-89.6000110.5
436V35.3Very low36.2Very low130 Ų130149.5 Ų149.579%0.78880%0.796SS**  trans-137.2134.6168.5-177.40000110.4
437S35.5Very low37Very low94 Ų94149 Ų14966%0.65780%0.797SS**  trans-41.4142.3-179.5-173.70000116.8
438A32.6Very low37.3Very low97 Ų97150.4 Ų150.480%0.80281%0.805SS**  trans-117.779.6177.600000112.7
439F37.3Very low37.5Very low198 Ų198150.9 Ų150.987%0.86881%0.807SS**  trans-136.171.7166.6-99.6-67.4000111.7
440R39.6Very low36.9Very low240 Ų240149.3 Ų149.391%0.90680%0.804SS**SBendtrans-171.5154151-103.3153.5-160.1-105.33.8110.5
441P44.7Very low37.2Very low119 Ų119154.4 Ų154.477%0.77381%0.809SS**  trans-84.3151.3-179.434.6-34.5000112.1
442V33.3Very low36.8Very low136 Ų136150.5 Ų150.582%0.82481%0.806SS**  trans-128.7131.8166.8177.20000108.2
443I45.4Very low36.9Very low163 Ų163152.2 Ų152.284%0.83681%0.808SS**  trans-113.8118.8167.5-62.2172.5000106.4
444K32.7Very low36.8Very low166 Ų166147.7 Ų147.772%0.72280%0.803SS**  trans163.5145.1161.5-98-173.5149.2-780107.1
445D36.7Very low36.8Very low125 Ų125148.3 Ų148.367%0.66881%0.807SS**  cis-134.6178.5-1.8-97.7-53.9000110
446A47.1Very low36.6Very low75 Ų75149.8 Ų149.862%0.6281%0.811SS**  trans-77.6-169.8171.300000112.6
447D48.3Very low36.3Very low162 Ų162147.5 Ų147.587%0.86681%0.814SS**  trans68.637.2164.7-53.4-26000118.4
448C36.1Very low36Very low123 Ų123147.4 Ų147.483%0.83182%0.819SS**  trans-13626.6175.8-94.50000117.8
449I39.9Very low35.8Very low178 Ų178153.4 Ų153.491%0.91382%0.822SS**  trans-133.372.5158.6-47.2-179.9000110.7
450A32.4Very low35.5Very low85 Ų85151.6 Ų151.670%0.70282%0.821SS**  trans-113.2127.1162.900000109.3
451K36.1Very low35Very low194 Ų194144 Ų14484%0.84382%0.819SS**  trans62.4113.6173.6-52.1168.5-178.5170.70116
452L31.9Very low34.2Very low160 Ų160144.1 Ų144.184%0.83882%0.821SS**  169.290.3106.3-89.7172.2000111.5
453Y32Very low34.1Very low247 Ų247148.1 Ų148.197%0.96982%0.821SS**SBendtrans-177.6118.2146.1-87.7-59.2000106.7
454G31.4Very low33.5Very low74 Ų74146.4 Ų146.476%0.76382%0.818SS**  cis-152.4171.3-9.900000110.3
455S30.2Very low33.5Very low127 Ų127142 Ų14289%0.88882%0.82SS**  trans-145.8108.2179.9-1780000112.2
456R29.9Very low33.3Very low252 Ų252146.1 Ų146.195%0.95183%0.827SS**  trans-170.4126145.9-150.9172-173.5-178.61109.4
457G28.3Very low32.6Very low82 Ų82149.2 Ų149.285%0.84583%0.833SS**  trans160.941.2177.900000117.5
458A29.8Very low31.8Very low92 Ų92146.7 Ų146.776%0.7683%0.828SS**  trans-150.3131.5172.100000111.7
459Y29.4Very low32.4Very low223 Ų223145.7 Ų145.788%0.87582%0.82SS**  trans-156.1137.2159.3-113.6-79.9000109.8
460N30.2Very low31.9Very low160 Ų160143.3 Ų143.386%0.85681%0.809SS**  trans58.5102.3168.2-65-4.3000119.7
461G30.2Very low31.8Very low82 Ų82147.9 Ų147.985%0.84581%0.814SS**  trans-167.5139.7158.700000107.8
462C26.3Very low31.6Very low121 Ų121146 Ų14682%0.81881%0.812SS**  trans-140.1153.4-161.6-167.30000114
463R32.1Very low31.6Very low220 Ų220143.8 Ų143.883%0.8381%0.81SS**  trans74.5145.7174.7-56.8-172.8175.7-95.1-1.1115.5
464T33.6Very low31.4Very low126 Ų126140.6 Ų140.677%0.77380%0.804SS**  cis-161.3144-11.512.30000111.8
465G30.9Very low31.4Very low74 Ų74142.5 Ų142.576%0.76381%0.805SS**  trans72.2164.7153.200000118.4
466Y33.6Very low31.4Very low211 Ų211142.2 Ų142.283%0.82780%0.803SS**  cis-163.3131.5-26.9-153.3-114.1000108.1
467L32.8Very low31.6Very low140 Ų140134.6 Ų134.673%0.73379%0.789SS**  trans37.6129160.3-56-175.8000122.9
468S31Very low31.6Very low109 Ų109139.6 Ų139.676%0.76278%0.783SS**  trans-67.5-174.5148.2-41.20000111
469P48.3Very low31.6Very low102 Ų102143.4 Ų143.466%0.66278%0.778SS**  cis-149.4-166.712.745.6-23.4000117.6
470D30.4Very low31.7Very low129 Ų129138.5 Ų138.569%0.6978%0.776SS**  trans69.1115.1141.7-64.2-22.3000125
471F29.9Very low31.8Very low181 Ų181137.2 Ų137.279%0.79477%0.774SS**  69135.4125.3-85.8-82.1000125.2
472L30.5Very low32.2Very low154 Ų154138.3 Ų138.381%0.80677%0.769SS**  trans89.9142.9147.1-72.5177.4000123
473S32.6Very low33.2Very low114 Ų114138.4 Ų138.480%0.79777%0.768SS**  trans88.8144.2150.7-64.50000121
474E28.8Very low33.3Very low180 Ų180133.1 Ų133.184%0.84176%0.764SS**  trans-102.4164.4-164.3-63.2156.468.600113.9
475S30.9Very low33.4Very low114 Ų114133.4 Ų133.480%0.79777%0.765SS**  trans86.3147.3146.3-69.40000121.4
476S29.7Very low33.5Very low120 Ų120136.5 Ų136.584%0.83976%0.764SS**  trans77.2138.9172.2-156.40000117.4
477S34.1Very low33.6Very low93 Ų93130.6 Ų130.665%0.6575%0.754SS**  cis163.2120.4-37.4165.70000108.2
478Y27.8Very low33.7Very low187 Ų187133.4 Ų133.473%0.73376%0.763SS**  trans-159.796.3148.2-140.7-103.2000115.8
479R31.1Very low33.7Very low171 Ų171132 Ų13265%0.64577%0.766SS**  trans64.1157.5142.8-56.8-156.5-164.3-67.1-5.1117.2
480S31.3Very low32.9Very low120 Ų120136.3 Ų136.384%0.83978%0.777SS**  cis-132.216329.5-68.90000116.7
481V31.7Very low34Very low133 Ų133134.6 Ų134.681%0.80677%0.773SS**  trans-78.3148.7-168.5-96.30000115
482S37.8Very low33.9Very low105 Ų105132.7 Ų132.773%0.73477%0.771SS**  trans-84174152.2-46.80000110.5
483P49.4Very low34.1Very low123 Ų123131.4 Ų131.480%0.79977%0.769SS**  -146-176.4103.439.9-25.6000114.6
484C32.9Very low33.9Very low110 Ų110132.6 Ų132.674%0.74377%0.767SS**  trans-129.3169.5164.6-55.20000108.8
485V36.8Very low34.4Very low132 Ų132129.3 Ų129.380%0.876%0.759SS**  trans67.1158.1175.2-42.30000115.6
486D31.2Very low34.4Very low138 Ų138132.4 Ų132.474%0.73876%0.761SS**  cis-153.31717.3-139.8-39.3000113.6
487S37.4Very low34.6Very low88 Ų88132.4 Ų132.462%0.61576%0.756SS**  trans53.7115.7154.1-56.40000124.8
488E33.5Very low34.5Very low198 Ų198134.5 Ų134.593%0.92576%0.76SS**  64.2134.3124.5-58.3-175.1174.200123.6
489G32.1Very low34.4Very low81 Ų81136.3 Ų136.384%0.83577%0.765SS**  trans165.7110.6167.600000115.6
490E31.4Very low34.1Very low192 Ų192132.5 Ų132.590%0.89777%0.765SS**  trans-91.1178.7157.4-90.1-147.6154.200109.9
491P52.7Low34.8Very low92 Ų92131.4 Ų131.460%0.59776%0.755SS**  cis-138.3-156.613.235.8-11.2000114.7
492D28.9Very low34.8Very low141 Ų141133 Ų13375%0.75475%0.754SS**  trans69.4155.5152.6-66.3-15.2000118.6
493V33.4Very low34.6Very low127 Ų127135.8 Ų135.877%0.7776%0.755SS**  cis-165.4171.5-12.4-93.40000107.3
494D29.5Very low33.8Very low139 Ų139136.8 Ų136.874%0.74375%0.749SS**  cis-177.9172.3-36.2-172.220.1000107.7
495V39.4Very low33.6Very low111 Ų111140.3 Ų140.367%0.67376%0.755SS**  trans5998.8167.4-173.50000115.9
496E30.4Very low33.1Very low179 Ų179141.1 Ų141.184%0.83675%0.754SS**  64.612669.5-163.8179.5144.600115.7
497T34.3Very low33.8Very low121 Ų121139.4 Ų139.474%0.74275%0.751SS**  trans-149111.5172.9-36.60000112.5
498N30.6Very low33.3Very low137 Ų137139.1 Ų139.173%0.73376%0.762SS**  trans36.9133.3154.5-70.4-79.7000119.6
499R26.1Very low33.8Very low224 Ų224135.4 Ų135.485%0.84576%0.755SS**  cis-165.4106.147.9-162.6165.3-162.2148.85.5113.9
500S24.4Very low33.5Very low92 Ų92142.7 Ų142.764%0.64376%0.757SS**  trans29.5152.8133.667.20000122.4
501P46.8Very low33.7Very low97 Ų97139.9 Ų139.963%0.6375%0.753SS**  cis-149.8-166.6-27.540.8-20.4000115.6
502E31.5Very low33.5Very low166 Ų166140.6 Ų140.678%0.77676%0.758SS**  trans88.4120.6144-82.6152.9-169.200123
503E33.5Very low33.4Very low164 Ų164142.3 Ų142.377%0.76677%0.766SS**  trans67.4152.2146.1-63.2-166.8125.200121.9
504Q32.3Very low33Very low143 Ų143139.6 Ų139.667%0.66876%0.764SS**  cis-169.6152.3-24.4-177163.4109.600110.6
505E29.9Very low33Very low185 Ų185141.7 Ų141.786%0.86477%0.774SS**  trans69.2176158.6-86179.6163.600124.2
506D25.5Very low32.4Very low148 Ų148140 Ų14079%0.79177%0.771SS**  trans-120.8-162.9-165.7-164.528.7000108.8
507P45.4Very low32.6Very low103 Ų103139.9 Ų139.967%0.66977%0.771SS**  cis-125.2132.8-35.312.711.9000115.9
508G28.8Very low32.3Very low81 Ų81139.6 Ų139.684%0.83577%0.773SS**  trans59.4-164.3160.700000117.6
509P42.3Very low32.2Very low120 Ų120137.6 Ų137.678%0.77978%0.776SS**  cis-126.7161.5-26.540.3-26.7000114.8
510R27.1Very low32.6Very low234 Ų234131.9 Ų131.988%0.88377%0.77SS**  trans53.5109.4159.4-68.9-179.4177.2158.40.9121
511T35.1Very low33.1Very low133 Ų133133.7 Ų133.782%0.81678%0.78SS**  trans18.7148.7132.739.90000122.1
512P48.5Very low32.4Very low107 Ų107137.4 Ų137.470%0.69579%0.786SS**  cis-144-170.636.840.4-19.9000117.6
513L26.1Very low32.4Very low177 Ų177135.6 Ų135.693%0.92778%0.782SS**  trans79.3131.1176.4-52.7167000115.4
514G25.7Very low32.3Very low70 Ų70133.3 Ų133.372%0.72278%0.784SS**  cis178.1157.7-10.600000114.3
515L28.9Very low32Very low184 Ų184135.2 Ų135.296%0.96379%0.793SS**  trans66.1132.9169.9-80161.2000120.7
516A28.3Very low33Very low74 Ų74131.2 Ų131.261%0.61278%0.783SS**  trans-158.5162165.800000107.7
517H32.6Very low32.9Very low178 Ų178129.9 Ų129.982%0.82479%0.785SS**  cis-145160.612.4-96.3-73.4000112.5
518S29.2Very low32.1Very low114 Ų114135.2 Ų135.280%0.79780%0.798SS**  trans58.9110.3146.662.30000121.9
519A28.5Very low32Very low96 Ų96134.8 Ų134.879%0.79379%0.793SS**  trans-161156.2159.800000107.9
520S33.6Very low31.3Very low103 Ų103133.8 Ų133.872%0.7280%0.796SS**  cis-164164.3-16.9-93.80000108.6
521P36.5Very low31.2Very low130 Ų130132.3 Ų132.384%0.84480%0.799SS**  trans-68.5158.2167.631-34.8000111.6
522K31.8Very low30.6Very low176 Ų176130 Ų13077%0.76580%0.801SS**  trans-89.4141.4-161.1-85.6178.4151.1-86.20116.2
523D30.6Very low29.5Very low128 Ų128129.6 Ų129.668%0.68480%0.8SS**  53.5147128-45.1-26000120.2
524S30.8Very low29.4Very low115 Ų115128.3 Ų128.380%0.80479%0.79SS**  cis-148.9148.19.1550000114
525E26.7Very low29.4Very low183 Ų183130.7 Ų130.786%0.85579%0.786SS**  trans-95.1-163171.7-118.1-152144.100111.5
526P51.2Low29.4Very low101 Ų101130.3 Ų130.366%0.65678%0.779SS**  cis-135.2-178.3-22.529.4-8.8000114.2
527S23.4Very low29.5Very low121 Ų121129.9 Ų129.985%0.84678%0.776SS**  trans-158.8152.7132.5520000115
528K29Very low29.5Very low214 Ų214128.9 Ų128.993%0.9377%0.772SS**  trans-58.4154.4-176-51.5163.6-177.41760112.5
529G26Very low29.5Very low72 Ų72130.8 Ų130.874%0.74277%0.765SS**  cis126.3135.522.600000111.5
530A27.7Very low29.6Very low100 Ų100133.9 Ų133.983%0.82677%0.765SS**  trans79.2137.4158.300000122.5
531E24.8Very low29.3Very low203 Ų203135.6 Ų135.695%0.94977%0.767SS**  trans57.2160.9158.9-57.5-166.6145.900120.7
532G22.3Very low29Very low83 Ų83135.4 Ų135.486%0.85676%0.758SS**  trans139.2135.9166.900000116.1
533S24.9Very low28.8Very low99 Ų99135.2 Ų135.269%0.69276%0.76SS**  trans-105.1171-176.6-164.70000112.9
534E24.9Very low28.7Very low150 Ų150135.5 Ų135.570%0.70177%0.766SS**  trans80.8137.3143.6-87.1149.7-108.200125.2
535N26.1Very low28.6Very low120 Ų120133.7 Ų133.764%0.64276%0.758SS**  trans67.1110.9140.1-58.3-17.9000119.6
536E29.3Very low28.7Very low176 Ų176133.5 Ų133.582%0.82276%0.757SS**  94.9144.990.1-83.6-145.389.100113
537A30.6Very low27.6Very low66 Ų66133.7 Ų133.755%0.54576%0.761SS.*  cis-167-179-12.100000111.4
538Q31.1Very low27.8Very low157 Ų157132.8 Ų132.873%0.73476%0.755SS**  trans77140.4165.9-50.9-167.629.600116
539K30.1Very low27.8Very low153 Ų153129.8 Ų129.867%0.66575%0.748SS**  cis-155.6134.95.3-138.6168.6-173141.20113.2
540M31.2Very low28Very low161 Ų161135.4 Ų135.479%0.79375%0.747SS**  trans50.7145.3149.777.1-161.6-15400120.5
541N26.6Very low28.1Very low139 Ų139136.7 Ų136.774%0.74374%0.736SS**  cis-145.2173.517-149.6-8.6000113.6
542L29.8Very low28.3Very low127 Ų127133.9 Ų133.967%0.66573%0.727SS**  trans-48.8142.7-171.1-89.162.7000116
543Q28.5Very low28.6Very low171 Ų171137.6 Ų137.680%0.79972%0.722SS**  69152.166.7-61.9-178.6-8.900113.3
544V28.3Very low28.7Very low134 Ų134136.5 Ų136.581%0.81272%0.715SS**  cis-133.7165.129173.80000111.9
545A28.7Very low28.9Very low78 Ų78137.8 Ų137.865%0.64572%0.718SS**  trans-139.8165.3-177.700000114.3
546Q28.9Very low28.9Very low179 Ų179140 Ų14084%0.83673%0.725SS**  trans69.5131.8149.9-74.9-177.346.100123.2
547S27Very low28.8Very low104 Ų104138.9 Ų138.973%0.72772%0.723SS**  105.9132123.766.50000123.1
548S27.8Very low29.9Very low103 Ų103140.7 Ų140.772%0.7273%0.729SS**  trans64100.3138.861.10000124
549D28.7Very low29.7Very low150 Ų150141 Ų14180%0.80273%0.731SS**  82.9153.1104.6-135.2-25.5000122.6
550R31.5Very low29.9Very low190 Ų190140.6 Ų140.672%0.71773%0.731SS**  trans71.5146.5168-53.1-174.381.6124.69.4116.8
551E28.5Very low29.9Very low128 Ų128140.9 Ų140.960%0.59873%0.73SS**  cis-165.1-179.2-7.8-123.5175.9150.800112
552L29.8Very low30.2Very low143 Ų143142.1 Ų142.175%0.74974%0.735SS**  trans75.1142.3166.2-47-170.5000116.6
553Q29.1Very low30.2Very low161 Ų161140.9 Ų140.975%0.75274%0.743SS**  cis-172.3172.6-20.3-126.2-164.4101.400107.2
554S26.7Very low30.4Very low77 Ų77137.2 Ų137.254%0.53874%0.742SS.*  cis-167176.1-2.9-1520000110.7
555K29.2Very low31.7Very low176 Ų176136.4 Ų136.477%0.76574%0.739SS**  trans67137.6154-75.8178.7179.7-1770120.1
556Q26Very low31.8Very low168 Ų168141.6 Ų141.679%0.78575%0.748SS**  cis-155.5158.9-5.2-156.2161.7-57.100113.3
557L26.4Very low32Very low151 Ų151138 Ų13879%0.79174%0.738SS**  trans-90.6-175.7177.7-91.1164.2000112.8
558P53.8Low32Very low105 Ų105142.3 Ų142.368%0.68275%0.747SS**  cis-118.2-160.38.128.7-3.4000112.9
559E26.8Very low32.2Very low164 Ų164143.4 Ų143.477%0.76675%0.749SS**  cis-138.2152.916.1-93.3-165.171.300111.1
560H35.5Very low32Very low144 Ų144146.2 Ų146.267%0.66775%0.75SS**  68.5129.670.7-77-114.6000115.3
561H30.4Very low32.3Very low167 Ų167143 Ų14377%0.77375%0.751SS**  cis-139.1-179.815.5-111.6-78000114.1
562I33.1Very low33.2Very low165 Ų165142.8 Ų142.885%0.84676%0.761SS**  trans-127.5141.9-174.5-62.9164000111
563A28.8Very low33.2Very low101 Ų101142.4 Ų142.484%0.83576%0.76SS**  trans178.9151.3140.700000115.6
564A33.7Very low33.3Very low94 Ų94144.1 Ų144.178%0.77776%0.759SS**  trans-143.4178.7161.600000106.2
565P54.9Low33.4Very low116 Ų116145.2 Ų145.275%0.75377%0.773SS**  cis-149.9-171.822.142.6-19.6000118.4
566F32.1Very low33.4Very low187 Ų187144.2 Ų144.282%0.8277%0.771SS**  trans75.5105.7145.2-115.4-113.9000123.7
567T31.5Very low33.5Very low103 Ų103143.3 Ų143.363%0.63277%0.771SS**  57.7119121.7-48.80000122.7
568E27.1Very low33.6Very low196 Ų196143.2 Ų143.292%0.91677%0.767SS**  -154.3-179.7128.6-135.6-178-172.600112.6
569V31.8Very low32.5Very low125 Ų125147.5 Ų147.576%0.75878%0.778SS**  trans-136.8127.8-164.3173.50000112.4
570Y26.3Very low32.6Very low209 Ų209150.4 Ų150.482%0.8278%0.781SS**  trans-162.9157.5144.4-143.5-105.6000114.8
571T37.4Very low32.3Very low123 Ų123148.3 Ų148.376%0.75578%0.783SS**  trans-143.2127.416852.20000110.4
572P45.8Very low32.3Very low124 Ų124145.6 Ų145.681%0.80578%0.783SS**  trans-98.8161.6167.534.7-29.1000113.6
573D31.2Very low33.1Very low134 Ų134142.7 Ų142.772%0.71778%0.775SS**  trans-90.8170.7-161.9-17532.3000115.4
574R30.3Very low33.1Very low197 Ų197148 Ų14874%0.74378%0.775SS**  trans50128.6149.5-98.3-179.8140.692.48.5121.8
575A29.2Very low33Very low101 Ų101151.1 Ų151.184%0.83577%0.773SS**  -166.8151.2101.200000112.8
576E29.1Very low31.6Very low155 Ų155153.4 Ų153.472%0.72477%0.771SS**  trans-101.1147.8167.2-63.3166.989.300109.8
577L29Very low31.5Very low149 Ų149155 Ų15578%0.7877%0.772SS**  -179.5155.8113-116.787.3000113.7
578Q27.1Very low32Very low149 Ų149154.5 Ų154.570%0.69677%0.77SS**  trans3.5135155.8-92.470.3-18.900119.9
579Q31.3Very low32.2Very low195 Ų195150.7 Ų150.791%0.91176%0.761SS**  -149123.3104.6-111.5168.331.300115.3
580R29.8Very low32.1Very low225 Ų225150.1 Ų150.185%0.84975%0.753SS**  trans-68.7164.1152.3-94.3-175.2173-166.2-0.5108.8
581S28.9Very low32.3Very low99 Ų99149.1 Ų149.169%0.69275%0.749SS**  cis-170160.5-3.739.60000109.6
582S30.8Very low32Very low110 Ų110150.3 Ų150.377%0.76975%0.75SS**  trans-62153.1161.8-1530000110.6
583P49.8Very low31.2Very low105 Ų105150.2 Ų150.268%0.68275%0.747SS**  -154.8159.982.142.5-23.7000119.1
584Y28.2Very low31.1Very low213 Ų213148.3 Ų148.384%0.83575%0.751SS**  trans77.4132.6138-96.5-55.4000125.5
585Q31.1Very low31.1Very low159 Ų159144.8 Ų144.874%0.74375%0.751SS**  trans98.5110.3144.2-68.3-165-69.100124
586F25.5Very low31.2Very low163 Ų163147.1 Ų147.172%0.71575%0.748SS**  trans64.3110.2132-81.2-107.6000124.1
587R30.4Very low31.3Very low222 Ų222145.1 Ų145.184%0.83875%0.747SS**  55.8166.5116.8-87.5-167.3175.2-160.70.5121.3
588P42.9Very low31.3Very low91 Ų91144.1 Ų144.159%0.59175%0.747SS**  cis-141.6166.7-27.937.5-19.6000116.4
589T30.6Very low31.3Very low117 Ų117144 Ų14472%0.71875%0.751SS**  trans60.1155.2145.851.30000120.7
590N30.7Very low31.1Very low112 Ų112141.7 Ų141.760%0.59975%0.745SS**  cis-165167.1-6.3-118.4-0.1000113.7
591Y28.8Very low31.2Very low189 Ų189139.7 Ų139.774%0.74175%0.745SS**  trans80.4125144.9-73-43.3000125.8
592L32.7Very low31.2Very low147 Ų147140.4 Ų140.477%0.7775%0.75SS**  trans66.5150.2136.9-57.7168.1000120.8
593T28.6Very low31.3Very low122 Ų122139.8 Ų139.875%0.74875%0.752SS**  cis-174.1140.1-25.5-97.90000110.4
594A28.7Very low30.2Very low95 Ų95140.6 Ų140.679%0.78576%0.76SS**  trans158.8152.8155.100000111.6
595V30.8Very low30.4Very low122 Ų122138.8 Ų138.874%0.73976%0.757SS**  cis-165.6140.3-28.3102.70000109.1
596L31.4Very low30.5Very low151 Ų151138.3 Ų138.379%0.79176%0.755SS**  trans59.4151.9165.4-63.4173.1000119.7
597T29.9Very low30.7Very low113 Ų113138.7 Ų138.769%0.69376%0.758SS**  cis-170.8143.3-34.420.40000109
598T28.6Very low31.7Very low128 Ų128132.9 Ų132.979%0.78575%0.75SS**  176.1124.9128.736.20000113
599N28.6Very low31Very low146 Ų146133.9 Ų133.978%0.78176%0.759SS**  trans72.8149.3142.7-63.123.4000123.3
600D27.2Very low30.9Very low147 Ų147133 Ų13379%0.78676%0.757SS**  trans58.973.5164.3-69.4-112.4000121.2
601E30.6Very low30.9Very low182 Ų182133.9 Ų133.985%0.8577%0.767SS**  -20.3143.3123.9-171.2166.9115.400115.6
602S29Very low31.1Very low114 Ų114130.1 Ų130.180%0.79776%0.764SS**  cis-151.3169.7-0.3-134.20000112.7
603A33.1Very low31.1Very low98 Ų98131.2 Ų131.281%0.8177%0.765SS**  trans-112.5165170.900000111.7
604S27.7Very low31.2Very low122 Ų122132.6 Ų132.685%0.85376%0.763SS**  trans-132.8129.4167.260.10000111.2
605K31.9Very low31.3Very low175 Ų175134 Ų13476%0.76176%0.756SS**  trans-140.9121.8177.1-117.5-170.6173.6-980110.5
606E31.9Very low31.2Very low149 Ų149136.1 Ų136.170%0.69676%0.757SS**  trans42.1133.9132.4-62.9-177.7124.200121.9
607E31Very low31.1Very low170 Ų170133.1 Ų133.179%0.79475%0.745SS**  trans76.5159144.8-67.7-82.583.700119.5
608P51Low31.1Very low101 Ų101136.4 Ų136.466%0.65675%0.75SS**  cis-138.4154.7-24.331.8-12000117.2
609S28.8Very low31.1Very low112 Ų112135.3 Ų135.378%0.78375%0.748SS**  trans30.7133.2136.7-159.80000124.2
610S28.7Very low31.1Very low97 Ų97137.2 Ų137.268%0.67875%0.749SS**  155.9159.7106.2-162.40000116
611T30.9Very low31.2Very low132 Ų132136.4 Ų136.481%0.8175%0.745SS**  trans65.8150.5167.6600000120.4
612V32.5Very low31Very low110 Ų110131 Ų13167%0.66774%0.738SS**  cis-168.9149.5-28.8690000109.9
613E32.2Very low31.1Very low169 Ų169134.7 Ų134.779%0.7974%0.743SS**  trans58.7158.4159.1-85.1160.5-165.400119.7
614E31.2Very low30.9Very low152 Ų152135.6 Ų135.671%0.7174%0.743SS**  cis-155.2170.1-17.6-142.8-165.5160.100112.2
615I31.3Very low31.1Very low125 Ų125135.3 Ų135.364%0.64174%0.741SS**  trans23.6134.616153.4153.1000126.5
616E28.6Very low31.3Very low165 Ų165134.5 Ų134.577%0.77175%0.745SS**  trans61.8156.2136-67.1-154.4120.800122.2
617T28Very low31.4Very low88 Ų88136.8 Ų136.854%0.5476%0.756SS.*  cis-158162.3-10.9190000112.8
618K30.6Very low31.3Very low183 Ų183133.3 Ų133.380%0.79675%0.75SS**  trans66.1143.3150.3-71.3158.5-177.4158.40118.3
619S29Very low30.3Very low104 Ų104137 Ų13773%0.72776%0.758SS**  cis-151.8-137.4-12.5-84.20000106.6
620F27.1Very low30.5Very low187 Ų187141.4 Ų141.482%0.8276%0.758SS**  cis-167.8146.7-2.6-168.6-96.1000107.1
621N29.3Very low30.5Very low130 Ų130143.7 Ų143.770%0.69576%0.758SS**  cis-165.6156-25.9-178.916000106.7
622G27.5Very low31.6Very low69 Ų69142.8 Ų142.871%0.71175%0.754SS**  trans-172.686.8-176.800000115.4
623Q30.6Very low31.5Very low191 Ų191145 Ų14589%0.89376%0.762SS**  trans1.8142159.4-62.3168-11.700119
624S29.4Very low31.5Very low117 Ų117145.7 Ų145.782%0.81877%0.766SS**  cis-150165.118.9-170.20000112.4
625S32.7Very low31.6Very low115 Ų115141.6 Ų141.680%0.80476%0.764SS**  trans-88.6164.9-178.451.90000115.1
626D35.7Very low31.8Very low159 Ų159144.4 Ų144.485%0.8577%0.774SS**  trans-130.5129.6171.3-179.55.9000108.4
627E32.5Very low32Very low197 Ų197142.8 Ų142.892%0.92177%0.77SS**  trans-156.1155.6167.9-161.6171.698.300110.9
628S30.2Very low32.5Very low96 Ų96143.4 Ų143.467%0.67177%0.774SS**  trans-144.4119.5-171.6-169.20000115
629Q30.6Very low32.9Very low178 Ų178146.6 Ų146.683%0.83278%0.781SS**  trans-168.2124148.1-100.1143.7101.600106.9
630R31.3Very low33.4Very low206 Ų206149.2 Ų149.278%0.77778%0.782SS**  61.4135.966.5-116.6-157.2-80175.7-0.1112.5
631E29.8Very low34.3Very low145 Ų145149.7 Ų149.768%0.67878%0.783SS**  cis-122.7-131.522.7-73.7-88.6175.900113.2
632P54.3Low34.8Very low112 Ų112153.6 Ų153.673%0.72780%0.804SS**  -127.6173.6-107.740.9-24.8000116
633D30.1Very low35.1Very low156 Ų156157.9 Ų157.983%0.83481%0.809SS**  trans-153.8169.9148.6-148.4-1.6000113.4
634E32.6Very low35.4Very low185 Ų185156.1 Ų156.186%0.86481%0.805SS**  trans-77.3161.7-158.1-65.8177.6164.200118.4
635G32.5Very low35.7Very low65 Ų65158.3 Ų158.367%0.6780%0.804SS**  112.387.2106.700000120.6
636E35.1Very low35.9Very low184 Ų184160.8 Ų160.886%0.8680%0.804SS**  trans57.8172.7140.3-56.9-158120.300119.1
637L33.9Very low35.9Very low131 Ų131160.9 Ų160.969%0.68680%0.801SS**  cis-138.8147.1-3.4-163.171.4000111.5
638V37.1Very low36.1Very low101 Ų101158.5 Ų158.561%0.61279%0.793SS**  trans3138.4154-178.60000119.6E640V638-E640 HydrophobicContact CG1-CG 3.88Å
639R38.6Very low36.5Very low251 Ų251163 Ų16395%0.94780%0.802SS**  trans-139.5120.2134.1-116173-167.5162.98.2112.8
640E40.7Very low37Very low159 Ų159161.8 Ų161.874%0.74380%0.799SS**  trans-74.3156.4178.9-55.513791.100112.9V638V638-E640 HydrophobicContact CG1-CG 3.88Å
641K45.7Very low37.4Very low196 Ų196158.2 Ų158.285%0.85280%0.801SS**  -178.8137.6122.2-97.2155.6-174.31760109.5
642N38.9Very low38.1Very low213 Ų213159.4 Ų159.4100%1.13981%0.812SS**  cis-152.50-3-163.6116.5000108.3

Retrieved 642 of 642 residues in 283.4 ms (Link to these results)