A0A087XXQ7_POEFO Loading...

DAB adaptor protein 2

AlphaFold DB , UniProt , Accession A0A087XXQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 756 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
1M38.2Very low37.8Very low229 Ų229133.3 Ų133.3100%1.12879%0.791SS**  068.80-59.8172.5-176.800106.3
2S36.4Very low37.1Very low109 Ų109133.3 Ų133.376%0.76279%0.794SS**  cis76.8137.445.1-49.10000112.3
3T42.1Very low36.7Very low108 Ų108129.7 Ų129.766%0.66379%0.787SS**  cis-166.9-171.2-14.624.60000106.5
4E39.4Very low35.8Very low154 Ų154131.6 Ų131.672%0.7279%0.791SS**  cis-152.4135.72.4-124.5114.4-166.700105.7
5V40.9Very low36.9Very low126 Ų126129.7 Ų129.776%0.76478%0.783SS**  78.7136.590.1166.90000117.2
6E34.2Very low36.2Very low172 Ų172128.2 Ų128.280%0.80478%0.78SS**  trans94.4172.2159.2-143.2136.712200122.7
7N34Very low35.8Very low147 Ų147126.8 Ų126.879%0.78678%0.777SS**  trans-92.2157.6-146.4-62.5-55000116.3
8G30.6Very low35.8Very low67 Ų67126.6 Ų126.669%0.69178%0.778SS**  116.5120.8111.700000120.7
9V29.4Very low35.7Very low150 Ų150126.5 Ų126.591%0.90978%0.78SS**  trans72.5146.1146.9179.70000116.2
10P59.9Low35.2Very low117 Ų117127.3 Ų127.376%0.7679%0.785SS**  trans-119.4171.4-147.242.7-32.8000116
11A30.8Very low34.9Very low87 Ų87125.3 Ų125.372%0.71978%0.781SS**  153.5149.4121.700000114.9
12T29.7Very low34.6Very low134 Ų134119.5 Ų119.582%0.82276%0.763SS**  trans79.1116.1154.2-6.40000121.3
13A31.2Very low34.4Very low86 Ų86120 Ų12071%0.71176%0.761SS**  trans55.5106.4140.500000122.9
14D24.5Very low33.7Very low157 Ų157122.4 Ų122.484%0.8477%0.77SS**  64.2163.1114.7-139.837.1000120.4
15P52Low33.4Very low102 Ų102120.1 Ų120.166%0.66277%0.771SS**  cis-119.1168.8-29.614.28.4000113
16S25.9Very low33.5Very low106 Ų106119.7 Ų119.774%0.74177%0.771SS**  trans163.3143133.3-176.30000114.1
17S29.6Very low34.1Very low104 Ų104116.9 Ų116.973%0.72777%0.768SS**  trans72.9155.8158.6-61.40000118.2
18P35.1Very low34.4Very low123 Ų123115.2 Ų115.280%0.79977%0.765SS**  trans-97144.1-150.635.6-34.9000115.5
19P34.3Very low34.4Very low125 Ų125117.4 Ų117.481%0.81277%0.77SS**  trans-96.2161.5174.237.2-34.5000113.7
20T25Very low34.9Very low143 Ų143115.7 Ų115.788%0.87776%0.762SS**  trans-107.6156.9158.1-510000108.5
21A29Very low33.5Very low85 Ų85118.1 Ų118.170%0.70277%0.767SS**  trans92.6111.3166.400000119.9
22S32.1Very low33.4Very low108 Ų108120.4 Ų120.476%0.75577%0.773SS**  85.2114.5121.1-59.60000123.6
23T32.6Very low33.4Very low118 Ų118120.3 Ų120.372%0.72477%0.772SS**  102.8136.2126.4-62.20000121.4
24N27.9Very low33.3Very low159 Ų159122.3 Ų122.385%0.8578%0.776SS**  trans82.7163.5169.7-68.6-15.4000120.2
25S31.9Very low34Very low106 Ų106119.8 Ų119.874%0.74177%0.768SS**  trans-146.9-175.5-146.5630000112.6
26P43.1Very low33.2Very low118 Ų118125.1 Ų125.177%0.76678%0.781SS**  cis-125-133.5-13.325.80.3000112.7
27P48.5Very low33.3Very low113 Ų113123.8 Ų123.873%0.73478%0.784SS**  -103.9-169-105.643.4-29.3000114.2
28P38.7Very low33.7Very low112 Ų112127.1 Ų127.173%0.72779%0.793SS**  cis-130.6176.8-2.142.6-26.4000116.7
29S32.3Very low33.8Very low113 Ų113129.4 Ų129.479%0.7980%0.797SS**  trans25.2146.2149.7-56.80000122.4
30P39.9Very low33.8Very low114 Ų114135 Ų13574%0.7480%0.802SS**  cis-152.7-165.538.242.1-19.4000118.1
31L28.8Very low34.7Very low167 Ų167138.3 Ų138.387%0.87480%0.804SS**  trans83.5142.9161.4-66.1165.8000119.7
32T28.5Very low34.9Very low136 Ų136142.4 Ų142.483%0.83481%0.809SS**  trans-154.5121.1-171.9-56.70000112.2
33T30.2Very low35.2Very low132 Ų132146.3 Ų146.381%0.8181%0.812SS**  trans-150.2115164.447.50000112.6
34T29.9Very low35.7Very low127 Ų127152.2 Ų152.278%0.77982%0.821SS**  trans7.6149.1143.158.90000120.1
35P39.5Very low36.1Very low105 Ų105153.4 Ų153.468%0.68282%0.819SS**  cis-154.5165.743.742.4-21.6000121.3
36K34.1Very low36.5Very low213 Ų213154.7 Ų154.793%0.92682%0.822SS**  trans68.7114.2150.6-72.5162.4-177.2177.50120.2
37G27.8Very low37Very low78 Ų78154.7 Ų154.780%0.80481%0.814SS**  trans-136.7147.5154.300000110.1
38L38.1Very low37.3Very low175 Ų175157.1 Ų157.192%0.91682%0.816SS**  trans-87.3127.2-174.9-178.376.7000111.2
39L38.7Very low38.9Very low170 Ų170155.8 Ų155.889%0.8980%0.798SS**  trans-125.5153.7168.7-75.4179.1000112.4
40R34.1Very low41.5Very low243 Ų243154.3 Ų154.392%0.91779%0.785SS**  trans-78.3151.1-161.9-73.9176.9168.3171.9-4.7113.5E42R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 3.37Å
41K42.7Very low43.7Very low213 Ų213152 Ų15293%0.92677%0.766SS**  trans-70.681166.5-178.6-175176.8-177.80109.8
42E33.8Very low46.7Very low171 Ų171151 Ų15180%0.79976%0.757SS**  trans-69.8149.5166.1-162.4170.7150.500110R40 R44R40-E42 VanDerWaalsContact C-N 3.31Å; R40-E42 PolarHBondContact O-N 3.37Å; E42-R44 PolarHBondContact O-N 3.19Å
43K39.1Very low49.7Very low190 Ų190149.7 Ų149.783%0.82674%0.738SS**  trans-61.1132.5174-67.1179.3179.2179.40107.9K45K43-K45 PolarHBondContact O-N 3.39Å
44R42.2Very low52.7Low242 Ų242143.7 Ų143.791%0.91370%0.701SS**  trans-58.4111.8162.3-75.6-175178.2179.7-1.1106.7E42 V46E42-R44 PolarHBondContact O-N 3.19Å; R44-V46 PolarHBondContact O-N 2.85Å
45K36.6Very low55.6Low183 Ų183140.7 Ų140.780%0.79668%0.68SS**  trans-51.6129.4156.3-84.6-175.3171.9-177.30106.3K43 I47K43-K45 PolarHBondContact O-N 3.39Å; K45-I47 PolarHBondContact O-N 3.19Å; K45-I47 VanDerWaalsContact O-N 3.07Å
46V39.4Very low58.2Low133 Ų133139.5 Ų139.581%0.80667%0.673SS**  trans-59.7113.6155.7176.20000104.1R44 E48R44-V46 PolarHBondContact O-N 2.85Å; V46-E48 PolarHBondContact O-N 3.2Å
47I53.2Low61Low119 Ų119132.8 Ų132.861%0.6164%0.642SS**  trans-69.899.4160.8-65.7174.2000103.1K45 K49K45-I47 PolarHBondContact O-N 3.19Å; K45-I47 VanDerWaalsContact O-N 3.07Å; I47-K49 WeakPolarHBondContact O-CG 3.21Å; I47-K49 PolarHBondContact O-N 3.38Å; I47-K49 VanDerWaalsContact O-N 3.1Å
48E55.8Low64.2Low164 Ų164129.1 Ų129.177%0.76660%0.604SS**  trans-55.9113.1170.7-171.3160.5-14000106.5V46 T50V46-E48 PolarHBondContact O-N 3.2Å; E48-T50 PolarHBondContact O-N 2.69Å
49K72.4Confident66.8Low83 Ų83127.1 Ų127.136%0.36159%0.59SS.*  trans-83.569-168.8-58.9-171.3-156.7171.10109.5I47 D51 L54 D179I47-K49 WeakPolarHBondContact O-CG 3.21Å; I47-K49 PolarHBondContact O-N 3.38Å; I47-K49 VanDerWaalsContact O-N 3.1Å; K49-D51 PolarHBondContact O-N 3.05Å; K49-L54 HydrophobicContact CB-CD1 4.16Å; K49-L54 HydrophobicContact CB-CD2 4.03Å; K49-L54 HydrophobicContact CB-CG 4.13Å; K49-L54 HydrophobicContact CD-CD2 4.1Å; K49-D179 WeakPolarHBondContact CD-OD2 3.35Å; K49-D179 IonicContact NZ-OD1 2.79Å; K49-D179 PolarHBondContact NZ-OD1 3.17Å; K49-D179 IonicContact NZ-OD2 3.27Å; K49-D179 PolarHBondContact NZ-OD2 3.3Å
50T86.3Confident69.3Low83 Ų83121.6 Ų121.651%0.50957%0.574SS.*  trans-51.5138175.2-44.30000109.9E48 E52 Y53 L54E48-T50 PolarHBondContact O-N 2.69Å; T50-E52 PolarHBondContact O-N 3.31Å; T50-Y53 WeakPolarHBondContact O-CA 3.34Å; T50-Y53 WeakPolarHBondContact O-CB 3.38Å; T50-Y53 PolarHBondContact O-N 2.75Å; T50-L54 PolarHBondContact O-N 3.49Å
51D86.6Confident72Confident64 Ų64114.8 Ų114.834%0.34256%0.556SS.*Hα-helixtrans-51.9-33.8-177.4-72.60.7000113K49 Y53 L54 L55 V183 N186K49-D51 PolarHBondContact O-N 3.05Å; D51-Y53 PolarHBondContact O-N 3.22Å; D51-L54 PolarHBondContact O-N 3.31Å; D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.25Å; D51-L55 PolarHBondContact O-N 2.97Å; D51-V183 HydrophobicContact CB-CG2 4.03Å; D51-N186 VanDerWaalsContact CG-ND2 3.33Å; D51-N186 PolarHBondContact OD1-ND2 2.95Å; D51-N186 VanDerWaalsContact OD1-ND2 3.08Å; D51-N186 WeakPolarHBondContact OD2-CB 3.27Å; D51-N186 PolarHBondContact OD2-ND2 3Å
52E90.9Very high74.4Confident146 Ų146105.7 Ų105.768%0.68252%0.523SS*.Hα-helixtrans-61.8-39.4174.8-175.2178.5-169.200113.4T50 S56T50-E52 PolarHBondContact O-N 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 2.71Å; E52-S56 PolarHBondContact O-OG 3.09Å
53Y91.8Very high77.3Confident110 Ų11098.8 Ų98.843%0.43149%0.492SS..Hα-helixtrans-69.5-39.9174.4171.1-97.8000111.1T50 D51 S56 R57T50-Y53 WeakPolarHBondContact O-CA 3.34Å; T50-Y53 WeakPolarHBondContact O-CB 3.38Å; T50-Y53 PolarHBondContact O-N 2.75Å; D51-Y53 PolarHBondContact O-N 3.22Å; Y53-S56 PolarHBondContact O-N 2.64Å; Y53-R57 WeakPolarHBondContact O-CB 3.5Å; Y53-R57 PolarHBondContact O-N 2.81Å
54L93.2Very high80Confident6 Ų695.8 Ų95.83%0.03148%0.476CS..Hα-helixtrans-67.2-42176.6-64.4-177000111.8K49 T50 D51 R57 F58 D179 V183K49-L54 HydrophobicContact CB-CD1 4.16Å; K49-L54 HydrophobicContact CB-CD2 4.03Å; K49-L54 HydrophobicContact CB-CG 4.13Å; K49-L54 HydrophobicContact CD-CD2 4.1Å; T50-L54 PolarHBondContact O-N 3.49Å; D51-L54 PolarHBondContact O-N 3.31Å; L54-R57 PolarHBondContact O-N 2.83Å; L54-F58 HydrophobicContact CB-CD2 4.43Å; L54-F58 HydrophobicContact CB-CE2 4.37Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.32Å; L54-F58 PolarHBondContact O-N 3.41Å; L54-D179 HydrophobicContact CD1-CB 4.04Å; L54-D179 HydrophobicContact CD2-CB 3.79Å; L54-V183 HydrophobicContact CB-CB 3.93Å; L54-V183 HydrophobicContact CB-CG1 4.13Å; L54-V183 HydrophobicContact CB-CG2 4.01Å; L54-V183 HydrophobicContact CD1-CB 4.23Å
55L91.9Very high82.6Confident64 Ų6486.6 Ų86.634%0.33544%0.442SS..Hα-helixtrans-57.6-54.2173-169.572.7000109.8D51 R57 F58 Q59 M114 M187D51-L55 VanDerWaalsContact O-CB 3.25Å; D51-L55 WeakPolarHBondContact O-CB 3.25Å; D51-L55 PolarHBondContact O-N 2.97Å; L55-R57 PolarHBondContact O-N 3.02Å; L55-F58 PolarHBondContact O-N 2.86Å; L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 3.05Å; L55-M114 HydrophobicContact CD1-CE 3.9Å; L55-M187 HydrophobicContact CD1-SD 4.32Å
56S92.5Very high85.5Confident79 Ų7982.4 Ų82.455%0.55242%0.423SS*.Hα-helixtrans-59.2-30.4177.6-57.20000113.6E52 Y53E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 2.71Å; E52-S56 PolarHBondContact O-OG 3.09Å; Y53-S56 PolarHBondContact O-N 2.64Å
57R93.1Very high88.2Confident73 Ų7376.2 Ų76.228%0.27539%0.386SS..Hα-helixtrans-77.1-33.5179.2175.3176.5-17869.51.3113.4Y53 L54 L55 V63 D176Y53-R57 WeakPolarHBondContact O-CB 3.5Å; Y53-R57 PolarHBondContact O-N 2.81Å; L54-R57 PolarHBondContact O-N 2.83Å; L55-R57 PolarHBondContact O-N 3.02Å; R57-V63 HydrophobicContact CG-CG2 3.63Å; R57-V63 WeakPolarHBondContact O-CG2 3.28Å; R57-D176 IonicContact CZ-OD1 2.89Å; R57-D176 VanDerWaalsContact CZ-OD1 3.24Å; R57-D176 IonicContact CZ-OD2 2.65Å; R57-D176 VanDerWaalsContact CZ-OD2 3.28Å; R57-D176 IonicContact NE-OD1 3.13Å; R57-D176 PolarHBondContact NE-OD1 2.81Å; R57-D176 IonicContact NE-OD2 3.33Å; R57-D176 PolarHBondContact NE-OD2 3.33Å; R57-D176 IonicContact NH2-OD1 3.89Å; R57-D176 PolarHBondContact NH2-OD1 2.87Å; R57-D176 IonicContact NH2-OD2 3.66Å; R57-D176 PolarHBondContact NH2-OD2 2.87Å
58F95.3Very high90.3Very high0 Ų074.9 Ų74.90%038%0.376CS..Hα-helixtrans-108.8-6.2-174.8-60-51.8000114.1L54 L55 V63 I112 S113 M114 D176 D179 L180 V183L54-F58 HydrophobicContact CB-CD2 4.43Å; L54-F58 HydrophobicContact CB-CE2 4.37Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.32Å; L54-F58 PolarHBondContact O-N 3.41Å; L55-F58 PolarHBondContact O-N 2.86Å; F58-V63 HydrophobicContact CD1-CG2 3.99Å; F58-V63 HydrophobicContact CE1-CG2 3.89Å; F58-I112 HydrophobicContact CD1-CG2 3.91Å; F58-I112 HydrophobicContact CE1-CG2 3.78Å; F58-S113 CarbonylContact O-C 3.43Å; F58-S113 WeakPolarHBondContact O-CA 3.35Å; F58-M114 HydrophobicContact CB-CE 3.73Å; F58-M114 PolarHBondContact O-N 2.87Å; F58-D176 HydrophobicContact CE1-CB 3.98Å; F58-D176 HydrophobicContact CZ-CB 3.95Å; F58-D176 WeakPolarHBondContact CZ-O 3.49Å; F58-D179 HydrophobicContact CE2-CB 3.84Å; F58-D179 HydrophobicContact CZ-CB 4.07Å; F58-L180 HydrophobicContact CB-CD1 3.97Å; F58-L180 HydrophobicContact CD2-CB 4.13Å; F58-L180 HydrophobicContact CD2-CD1 4.01Å; F58-L180 HydrophobicContact CE2-CB 4.03Å; F58-L180 HydrophobicContact CG-CD1 4Å; F58-L180 HydrophobicContact CZ-CB 4.36Å; F58-V183 HydrophobicContact CD2-CG1 4.34Å
59Q92.1Very high92.3Very high134 Ų13468 Ų6863%0.62635%0.345SS*.SBendtrans-65.1145.2175.2-171.4171.626.200111.9L55 D61 G62L55-Q59 WeakPolarHBondContact O-CB 3.45Å; L55-Q59 PolarHBondContact O-N 3.05Å; Q59-D61 PolarHBondContact O-N 2.86Å; Q59-G62 PolarHBondContact O-N 3.48Å
60G92.2Very high93.5Very high54 Ų5464.8 Ų64.856%0.55733%0.331SS*.THydrogen-bonded Turntrans60.2-117.4177.900000112.7G62G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.13Å
61D89.9Confident94Very high99 Ų9961.7 Ų61.753%0.52932%0.316SS..THydrogen-bonded Turntrans-79.7-7.4-171.1-133.131.3000114.1Q59 R64 N111Q59-D61 PolarHBondContact O-N 2.86Å; D61-R64 IonicContact OD2-CZ 3.64Å; D61-R64 IonicContact OD2-NH1 3.81Å; D61-R64 IonicContact OD2-NH2 2.64Å; D61-R64 PolarHBondContact OD2-NH2 3.42Å; D61-N111 PolarHBondContact O-ND2 3.01Å; D61-N111 PolarHBondContact O-OD1 3.32Å; D61-N111 VanDerWaalsContact O-OD1 3.09Å
62G93.6Very high94.5Very high23 Ų2361.4 Ų61.424%0.23731%0.313CS..  trans59.5-157.3167.900000117Q59 G60 I112Q59-G62 PolarHBondContact O-N 3.48Å; G60-G62 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.13Å; G62-I112 CarbonylContact C-O 3.48Å; G62-I112 VanDerWaalsContact CA-O 3.28Å; G62-I112 WeakPolarHBondContact CA-O 3.44Å
63V95.4Very high94.8Very high25 Ų2555.2 Ų55.215%0.15229%0.285CS..EExtended strand (participates in β ladder)trans-107118.6-175.9-167.60000111.2R57 F58 Y65 N111 I112R57-V63 HydrophobicContact CG-CG2 3.63Å; R57-V63 WeakPolarHBondContact O-CG2 3.28Å; F58-V63 HydrophobicContact CD1-CG2 3.99Å; F58-V63 HydrophobicContact CE1-CG2 3.89Å; V63-Y65 HydrophobicContact CB-CE2 4.12Å; V63-Y65 HydrophobicContact CG1-CD2 4.18Å; V63-Y65 HydrophobicContact CG1-CE2 3.45Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.45Å; V63-N111 VanDerWaalsContact C-OD1 3.25Å; V63-N111 PolarHBondContact N-OD1 3.1Å; V63-N111 PolarHBondContact O-OD1 2.75Å; V63-N111 VanDerWaalsContact O-OD1 3.12Å; V63-I112 PolarHBondContact N-O 2.91Å; V63-I112 PolarHBondContact O-N 3.43Å
64R95.1Very high95Very high128 Ų12855.4 Ų55.448%0.48329%0.293SS..EExtended strand (participates in β ladder)trans-103.4129-177.670.9-165.469.6-170.2-3.4113.9D61 W109 V110D61-R64 IonicContact OD2-CZ 3.64Å; D61-R64 IonicContact OD2-NH1 3.81Å; D61-R64 IonicContact OD2-NH2 2.64Å; D61-R64 PolarHBondContact OD2-NH2 3.42Å; R64-W109 HydrophobicContact CB-CE3 4.01Å; R64-W109 HydrophobicContact CB-CZ3 4.43Å; R64-W109 HydrophobicContact CG-CE3 3.89Å; R64-W109 HydrophobicContact CG-CZ3 3.82Å; R64-V110 CarbonylContact C-O 3.5Å; R64-V110 WeakPolarHBondContact CA-O 3.41Å
65Y97Very high95.2Very high49 Ų4955.7 Ų55.719%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-118129.8-177.4-73.4-87.7000112.3V63 A67 W109 V110 I112 L173 D176V63-Y65 HydrophobicContact CB-CE2 4.12Å; V63-Y65 HydrophobicContact CG1-CD2 4.18Å; V63-Y65 HydrophobicContact CG1-CE2 3.45Å; V63-Y65 VanDerWaalsContact CG1-CE2 3.45Å; Y65-A67 PolarHBondContact O-N 2.94Å; Y65-W109 WeakPolarHBondContact O-CA 3.32Å; Y65-V110 PolarHBondContact N-O 3.19Å; Y65-V110 PolarHBondContact O-N 3.39Å; Y65-I112 HydrophobicContact CD2-CD1 4.17Å; Y65-I112 HydrophobicContact CE2-CD1 4.06Å; Y65-L173 HydrophobicContact CD1-CB 4.3Å; Y65-L173 HydrophobicContact CD1-CD1 4.37Å; Y65-L173 HydrophobicContact CD2-CB 4.35Å; Y65-L173 HydrophobicContact CD2-CD1 4.07Å; Y65-L173 HydrophobicContact CD2-CG 3.89Å; Y65-L173 HydrophobicContact CE1-CB 4.32Å; Y65-L173 HydrophobicContact CE2-CB 4.36Å; Y65-L173 HydrophobicContact CE2-CG 4.24Å; Y65-L173 HydrophobicContact CG-CB 4.32Å; Y65-L173 HydrophobicContact CG-CD1 3.8Å; Y65-L173 HydrophobicContact CG-CG 4.05Å; Y65-D176 PolarHBondContact OH-OD2 3.34Å; Y65-D176 VanDerWaalsContact OH-OD2 3.05Å
66K96.8Very high95.2Very high94 Ų9457.6 Ų57.641%0.40931%0.312SS..EExtended strand (participates in β ladder)trans-72.1121.8172-69.4-157.8176.5-153.40111.3W109 E122 A167K66-W109 HydrophobicContact CD-CH2 4.1Å; K66-W109 HydrophobicContact CD-CZ2 4.37Å; K66-W109 HydrophobicContact CD-CZ3 4.33Å; K66-W109 HydrophobicContact CG-CD2 4.24Å; K66-W109 HydrophobicContact CG-CE3 3.72Å; K66-W109 HydrophobicContact CG-CH2 3.68Å; K66-W109 HydrophobicContact CG-CZ2 4.15Å; K66-W109 HydrophobicContact CG-CZ3 3.41Å; K66-W109 VanDerWaalsContact CG-CZ3 3.41Å; K66-E122 IonicContact NZ-OE1 3.7Å; K66-E122 PolarHBondContact NZ-OE1 3.39Å; K66-A167 HydrophobicContact CB-CB 4.25Å; K66-A167 WeakPolarHBondContact O-CB 3.5Å; K66-A167 PolarHBondContact O-N 2.92Å
67A97.6Very high95.3Very high4 Ų459.2 Ų59.23%0.03331%0.311CS..EExtended strand (participates in β ladder)trans-144.1-172.8-178.600000112.1Y65 I108 V110 I164 K165 T166Y65-A67 PolarHBondContact O-N 2.94Å; A67-I108 CarbonylContact C-O 3.59Å; A67-I108 HydrophobicContact CB-CG1 4.08Å; A67-I108 PolarHBondContact N-O 2.98Å; A67-I108 PolarHBondContact O-N 3.27Å; A67-I108 VanDerWaalsContact O-O 3.07Å; A67-V110 HydrophobicContact CB-CG2 4.05Å; A67-I164 HydrophobicContact CB-CG2 3.61Å; A67-K165 CarbonylContact C-O 3.4Å; A67-K165 WeakPolarHBondContact CA-O 3.34Å; A67-T166 HydrophobicContact CB-CG2 4.47Å
68K97.3Very high95.3Very high91 Ų9157.4 Ų57.440%0.39631%0.311SS..EExtended strand (participates in β ladder)trans-139.6131.9172.8-62-169.6-176.6-173.20109.3I70 K105 Q106 R107 K165K68-I70 PolarHBondContact O-N 3.33Å; K68-K105 HydrophobicContact CB-CB 4.2Å; K68-K105 HydrophobicContact CD-CB 4.38Å; K68-Q106 WeakPolarHBondContact CA-O 3.22Å; K68-Q106 WeakPolarHBondContact CB-O 3.34Å; K68-R107 HydrophobicContact CG-CG 4.49Å; K68-K165 PolarHBondContact N-O 3.43Å; K68-K165 PolarHBondContact O-N 3.31Å
69L97.3Very high95.2Very high20 Ų2063.7 Ų63.711%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-64.7127.6172.4-169.558.1000108.7I72 K105 Q106 I108 I119 I164L69-I72 HydrophobicContact CD1-CG1 4.4Å; L69-I72 HydrophobicContact CD2-CG1 4.49Å; L69-K105 WeakPolarHBondContact O-CB 3.47Å; L69-Q106 PolarHBondContact N-O 2.89Å; L69-I108 HydrophobicContact CB-CD1 4.17Å; L69-I108 HydrophobicContact CB-CG2 4.42Å; L69-I119 HydrophobicContact CD1-CD1 4.45Å; L69-I164 HydrophobicContact CD1-CG1 4.36Å
70I97.3Very high95.3Very high15 Ų1558.2 Ų58.28%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-80.2-46172.4-61.1175.1000108.6K68 M88 L91 K92 K105 A148 A163 K165K68-I70 PolarHBondContact O-N 3.33Å; I70-M88 HydrophobicContact CD1-CE 4.23Å; I70-M88 HydrophobicContact CD1-SD 3.7Å; I70-L91 HydrophobicContact CG2-CB 3.92Å; I70-K92 HydrophobicContact CG2-CG 4.35Å; I70-K105 VanDerWaalsContact CA-NZ 3.25Å; I70-K105 PolarHBondContact O-NZ 3.16Å; I70-A148 HydrophobicContact CD1-CB 4.17Å; I70-A163 WeakPolarHBondContact CA-O 3.28Å; I70-A163 HydrophobicContact CB-CB 3.75Å; I70-A163 VanDerWaalsContact CB-O 3.22Å; I70-A163 WeakPolarHBondContact CB-O 3.23Å; I70-A163 HydrophobicContact CD1-CB 4.15Å; I70-A163 HydrophobicContact CG1-CB 4.42Å; I70-A163 HydrophobicContact CG2-CB 4.05Å; I70-A163 PolarHBondContact N-O 3.47Å; I70-K165 HydrophobicContact CD1-CB 4.03Å; I70-K165 HydrophobicContact CG1-CB 3.89Å
71G96.9Very high95.4Very high18 Ų1860.5 Ų60.519%0.18631%0.314CS..EExtended strand (participates in β ladder)trans165.6-174.6176.600000109.4A163G71-A163 PolarHBondContact O-N 3.11Å; G71-A163 VanDerWaalsContact O-N 3.13Å
72I96.6Very high95.6Very high57 Ų5762.7 Ų62.729%0.29232%0.319SS..EExtended strand (participates in β ladder)trans-128.4139.7174.2-52.8165.3000106L69 L91 Q160 F161 F162L69-I72 HydrophobicContact CD1-CG1 4.4Å; L69-I72 HydrophobicContact CD2-CG1 4.49Å; I72-L91 WeakPolarHBondContact O-CD2 3.28Å; I72-Q160 HydrophobicContact CG2-CB 4.05Å; I72-Q160 HydrophobicContact CG2-CG 4.35Å; I72-F161 WeakPolarHBondContact CA-O 3.04Å; I72-F162 HydrophobicContact CD1-CD1 4.05Å; I72-F162 HydrophobicContact CD1-CE1 3.34Å; I72-F162 HydrophobicContact CD1-CZ 3.67Å; I72-F162 HydrophobicContact CG1-CD1 3.76Å; I72-F162 HydrophobicContact CG1-CE1 3.57Å; I72-F162 HydrophobicContact CG1-CG 4.34Å; I72-F162 HydrophobicContact CG1-CZ 3.99Å; I72-F162 HydrophobicContact CG2-CD2 4.08Å; I72-F162 HydrophobicContact CG2-CE1 4.25Å; I72-F162 HydrophobicContact CG2-CE2 3.74Å; I72-F162 HydrophobicContact CG2-CG 4.45Å; I72-F162 HydrophobicContact CG2-CZ 3.82Å
73D97.1Very high95.7Very high16 Ų1662.7 Ų62.79%0.08631%0.313CS..EExtended strand (participates in β ladder)trans-132.5135.1178.9-16040.9000110.1S87 K90 L91 Q160 F161D73-S87 VanDerWaalsContact OD2-CB 3.29Å; D73-S87 WeakPolarHBondContact OD2-CB 3.23Å; D73-S87 PolarHBondContact OD2-OG 2.73Å; D73-K90 WeakPolarHBondContact OD1-CE 3.28Å; D73-K90 IonicContact OD1-NZ 2.71Å; D73-K90 PolarHBondContact OD1-NZ 3.45Å; D73-K90 WeakPolarHBondContact OD2-CD 3.39Å; D73-K90 WeakPolarHBondContact OD2-CE 3.49Å; D73-K90 IonicContact OD2-NZ 2.95Å; D73-K90 PolarHBondContact OD2-NZ 3.43Å; D73-L91 HydrophobicContact CB-CD1 3.8Å; D73-L91 HydrophobicContact CB-CD2 4.01Å; D73-L91 HydrophobicContact CB-CG 3.92Å; D73-Q160 CarbonylContact O-C 3.58Å; D73-Q160 WeakPolarHBondContact O-CA 3.44Å; D73-F161 PolarHBondContact N-O 2.97Å; D73-F161 PolarHBondContact O-N 2.83Å
74D96.7Very high95.8Very high114 Ų11461.6 Ų61.661%0.6131%0.306SS*.EExtended strand (participates in β ladder)trans-75.4134.9171.7-55.2-68.8000109.5Q160D74-Q160 VanDerWaalsContact OD1-CG 3.26Å; D74-Q160 WeakPolarHBondContact OD1-CG 3.22Å; D74-Q160 PolarHBondContact OD1-NE2 2.93Å
75V96.5Very high95.8Very high12 Ų1259.5 Ų59.57%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-131.7148.3-173.6-62.70000111.5M83 S87 V152 H159 F161V75-M83 HydrophobicContact CB-CE 4.19Å; V75-M83 HydrophobicContact CB-CG 4.15Å; V75-M83 HydrophobicContact CB-SD 3.71Å; V75-M83 HydrophobicContact CG1-CG 4.35Å; V75-M83 HydrophobicContact CG1-SD 4.49Å; V75-M83 HydrophobicContact CG2-CE 3.96Å; V75-M83 HydrophobicContact CG2-SD 4.07Å; V75-S87 VanDerWaalsContact CG1-OG 3.27Å; V75-S87 WeakPolarHBondContact CG1-OG 3.48Å; V75-V152 HydrophobicContact CG2-CG1 4.05Å; V75-H159 HydrophobicContact CG2-CB 3.73Å; V75-H159 WeakPolarHBondContact CG2-O 3.44Å; V75-H159 PolarHBondContact N-O 3.19Å; V75-F161 HydrophobicContact CG1-CB 3.7Å; V75-F161 HydrophobicContact CG2-CB 4.29Å
76P93.4Very high95.8Very high105 Ų10560.7 Ų60.768%0.68231%0.312SS*.SBendtrans-75.7-32.1-171.828.5-35.5000114.1M83P76-M83 HydrophobicContact CG-SD 4.14Å
77E94.1Very high95.9Very high112 Ų11256.7 Ų56.752%0.52330%0.296SS..SBendtrans-114.1156.8-171.4-60.6164.8-171.600111.5R79 M83 H159E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.23Å; E77-M83 HydrophobicContact CB-CE 4.32Å; E77-M83 HydrophobicContact CB-SD 3.69Å; E77-M83 HydrophobicContact CG-SD 4.41Å; E77-M83 VanDerWaalsContact O-CE 3.3Å; E77-M83 WeakPolarHBondContact O-CE 3.16Å; E77-H159 VanDerWaalsContact C-CD2 3.43Å
78A92.6Very high95.9Very high35 Ų3556.9 Ų56.929%0.28930%0.296SS..SBendtrans-71.3-24.2176.100000113.2S137 V152 H159A78-S137 WeakPolarHBondContact O-CB 3.35Å; A78-V152 WeakPolarHBondContact O-CB 3.42Å; A78-V152 WeakPolarHBondContact O-CG1 3.42Å; A78-H159 PolarHBondContact N-CD2 2.83Å
79R93.3Very high95.9Very high133 Ų13357.2 Ų57.250%0.50230%0.3SS..  trans-156.9134-170.6170.3167.4-178.1-178.5-1.9111.1E77 F138E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.23Å; R79-F138 HydrophobicContact CB-CB 4.04Å; R79-F138 HydrophobicContact CB-CD2 4.33Å; R79-F138 HydrophobicContact CB-CG 4.16Å; R79-F138 HydrophobicContact CG-CB 4.19Å; R79-F138 HydrophobicContact CG-CD1 4.38Å; R79-F138 HydrophobicContact CG-CD2 3.55Å; R79-F138 HydrophobicContact CG-CE2 3.96Å; R79-F138 HydrophobicContact CG-CG 3.79Å
80G94.1Very high95.9Very high19 Ų1961.2 Ų61.220%0.19632%0.317CS..  trans168.8123.3169.500000112K82 M83 C84G80-K82 PolarHBondContact O-N 2.92Å; G80-M83 PolarHBondContact O-N 2.77Å; G80-C84 WeakPolarHBondContact O-CB 3.12Å; G80-C84 PolarHBondContact O-N 2.9Å; G80-C84 PolarHBondContact O-SG 2.99Å
81D94.1Very high95.9Very high101 Ų10160.9 Ų60.954%0.5432%0.315SS..Hα-helixtrans-62.7-42.5-176.6-74.5-69000112.6C84 Q85 F138D81-C84 PolarHBondContact O-N 3.39Å; D81-Q85 VanDerWaalsContact O-CB 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 PolarHBondContact O-N 3.2Å; D81-F138 WeakPolarHBondContact OD1-CZ 3.48Å
82K95.4Very high95.9Very high146 Ų14662.1 Ų62.164%0.63532%0.315SS*.Hα-helixtrans-58.9-50.7175.9-177.1-171.1174.9-63.80111.5G80 C84 Q85 D86G80-K82 PolarHBondContact O-N 2.92Å; K82-C84 VanDerWaalsContact C-N 3.34Å; K82-C84 PolarHBondContact O-N 3.03Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.46Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; K82-D86 IonicContact NZ-OD2 2.58Å; K82-D86 PolarHBondContact NZ-OD2 2.9Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 2.85Å
83M95.4Very high95.9Very high23 Ų2361.4 Ų61.411%0.11332%0.322CS..Hα-helixtrans-58-46.3178.3176.8-165.37100111.3V75 P76 E77 G80 Q85 D86 S87 V152V75-M83 HydrophobicContact CB-CE 4.19Å; V75-M83 HydrophobicContact CB-CG 4.15Å; V75-M83 HydrophobicContact CB-SD 3.71Å; V75-M83 HydrophobicContact CG1-CG 4.35Å; V75-M83 HydrophobicContact CG1-SD 4.49Å; V75-M83 HydrophobicContact CG2-CE 3.96Å; V75-M83 HydrophobicContact CG2-SD 4.07Å; P76-M83 HydrophobicContact CG-SD 4.14Å; E77-M83 HydrophobicContact CB-CE 4.32Å; E77-M83 HydrophobicContact CB-SD 3.69Å; E77-M83 HydrophobicContact CG-SD 4.41Å; E77-M83 VanDerWaalsContact O-CE 3.3Å; E77-M83 WeakPolarHBondContact O-CE 3.16Å; G80-M83 PolarHBondContact O-N 2.77Å; M83-Q85 VanDerWaalsContact C-N 3.32Å; M83-Q85 PolarHBondContact O-N 3.49Å; M83-D86 PolarHBondContact O-N 3.26Å; M83-S87 PolarHBondContact O-N 3.02Å; M83-V152 HydrophobicContact CE-CG2 4.01Å
84C96.5Very high95.9Very high2 Ų266.1 Ų66.11%0.01435%0.345CS..Hα-helixtrans-65.2-35177.2-64.80000112.5G80 D81 K82 M88 A140 V152 F161G80-C84 WeakPolarHBondContact O-CB 3.12Å; G80-C84 PolarHBondContact O-N 2.9Å; G80-C84 PolarHBondContact O-SG 2.99Å; D81-C84 PolarHBondContact O-N 3.39Å; K82-C84 VanDerWaalsContact C-N 3.34Å; K82-C84 PolarHBondContact O-N 3.03Å; C84-M88 WeakPolarHBondContact O-CB 3.4Å; C84-M88 PolarHBondContact O-N 2.95Å; C84-A140 HydrophobicContact CB-CB 3.36Å; C84-V152 VanDerWaalsContact SG-CG2 3.52Å; C84-F161 HydrophobicContact CB-CD2 4.1Å; C84-F161 HydrophobicContact CB-CE2 3.56Å; C84-F161 HydrophobicContact CB-CZ 3.98Å; C84-F161 WeakPolarHBondContact O-CE1 3.44Å; C84-F161 WeakPolarHBondContact O-CZ 3.2Å
85Q96.7Very high95.9Very high84 Ų8461.4 Ų61.439%0.39332%0.321SS..Hα-helixtrans-67.8-44.9175-177175.78.400111.3D81 K82 M83 M88 M89D81-Q85 VanDerWaalsContact O-CB 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.49Å; D81-Q85 PolarHBondContact O-N 3.2Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.46Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; M83-Q85 VanDerWaalsContact C-N 3.32Å; M83-Q85 PolarHBondContact O-N 3.49Å; Q85-M88 PolarHBondContact O-N 3.35Å; Q85-M89 HydrophobicContact CG-CE 4Å; Q85-M89 WeakPolarHBondContact O-CG 3.42Å; Q85-M89 PolarHBondContact O-N 3.05Å
86D96.8Very high95.9Very high74 Ų7465.8 Ų65.840%0.39635%0.348SS..Hα-helixtrans-61.1-49.1177.4-69.1-27.2000110.9K82 M83 M88 M89 K90K82-D86 IonicContact NZ-OD2 2.58Å; K82-D86 PolarHBondContact NZ-OD2 2.9Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 2.85Å; M83-D86 PolarHBondContact O-N 3.26Å; D86-M88 PolarHBondContact O-N 2.78Å; D86-M89 PolarHBondContact O-N 3.08Å; D86-K90 WeakPolarHBondContact O-CB 3.34Å; D86-K90 PolarHBondContact O-N 3.35Å
87S97.6Very high96Very high10 Ų1063.1 Ų63.17%0.0734%0.335CS..Hα-helixtrans-65.2-36.2174.5-72.30000112.9D73 V75 M83 K90 L91D73-S87 VanDerWaalsContact OD2-CB 3.29Å; D73-S87 WeakPolarHBondContact OD2-CB 3.23Å; D73-S87 PolarHBondContact OD2-OG 2.73Å; V75-S87 VanDerWaalsContact CG1-OG 3.27Å; V75-S87 WeakPolarHBondContact CG1-OG 3.48Å; M83-S87 PolarHBondContact O-N 3.02Å; S87-K90 PolarHBondContact O-N 3.1Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.07Å
88M97.3Very high96.1Very high7 Ų759 Ų593%0.03432%0.32CS..Hα-helixtrans-62.2-42.7172.117959.573.500111.6I70 C84 Q85 D86 K92 D142 A148 F149 F161 A163I70-M88 HydrophobicContact CD1-CE 4.23Å; I70-M88 HydrophobicContact CD1-SD 3.7Å; C84-M88 WeakPolarHBondContact O-CB 3.4Å; C84-M88 PolarHBondContact O-N 2.95Å; Q85-M88 PolarHBondContact O-N 3.35Å; D86-M88 PolarHBondContact O-N 2.78Å; M88-K92 HydrophobicContact CG-CD 4.35Å; M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 2.76Å; M88-K92 VanDerWaalsContact O-CG 3.24Å; M88-K92 WeakPolarHBondContact O-CG 3.4Å; M88-K92 PolarHBondContact O-N 3.25Å; M88-K92 HydrophobicContact SD-CD 4.39Å; M88-K92 HydrophobicContact SD-CG 4.23Å; M88-D142 WeakPolarHBondContact CG-OD2 3.05Å; M88-A148 HydrophobicContact CE-CB 4.49Å; M88-F149 VanDerWaalsContact CE-O 3.31Å; M88-F149 WeakPolarHBondContact CE-O 3.33Å; M88-F161 HydrophobicContact CB-CE1 3.9Å; M88-F161 HydrophobicContact CB-CZ 4.23Å; M88-F161 HydrophobicContact CE-CE1 4.06Å; M88-F161 HydrophobicContact CE-CZ 3.99Å; M88-A163 HydrophobicContact CE-CB 3.65Å; M88-A163 HydrophobicContact SD-CB 3.87Å
89M97.4Very high96.2Very high99 Ų9965.8 Ų65.849%0.48834%0.338SS..Hα-helixtrans-65.9-45.1176.1-69.2-158.1-168.400111.8Q85 D86 K92 G93 T144Q85-M89 HydrophobicContact CG-CE 4Å; Q85-M89 WeakPolarHBondContact O-CG 3.42Å; Q85-M89 PolarHBondContact O-N 3.05Å; D86-M89 PolarHBondContact O-N 3.08Å; M89-K92 PolarHBondContact O-N 2.78Å; M89-G93 PolarHBondContact O-N 2.99Å; M89-T144 HydrophobicContact CE-CG2 4.4Å
90K97.4Very high96.3Very high104 Ų10464.5 Ų64.545%0.45235%0.349SS..Hα-helixtrans-55.7-53.1174.9178.4178.2166.6-160.20111.6D73 D86 S87 K92 G93 M94D73-K90 WeakPolarHBondContact OD1-CE 3.28Å; D73-K90 IonicContact OD1-NZ 2.71Å; D73-K90 PolarHBondContact OD1-NZ 3.45Å; D73-K90 WeakPolarHBondContact OD2-CD 3.39Å; D73-K90 WeakPolarHBondContact OD2-CE 3.49Å; D73-K90 IonicContact OD2-NZ 2.95Å; D73-K90 PolarHBondContact OD2-NZ 3.43Å; D86-K90 WeakPolarHBondContact O-CB 3.34Å; D86-K90 PolarHBondContact O-N 3.35Å; S87-K90 PolarHBondContact O-N 3.1Å; K90-K92 PolarHBondContact O-N 2.76Å; K90-G93 PolarHBondContact O-N 2.86Å; K90-M94 HydrophobicContact CG-SD 4.1Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.04Å
91L97.9Very high96.3Very high7 Ų771.2 Ų71.24%0.03738%0.375CS..Hα-helixtrans-66.6-33.3178.4-67.9177.5000113.2I70 I72 D73 S87 M94 A95 F161 A163I70-L91 HydrophobicContact CG2-CB 3.92Å; I72-L91 WeakPolarHBondContact O-CD2 3.28Å; D73-L91 HydrophobicContact CB-CD1 3.8Å; D73-L91 HydrophobicContact CB-CD2 4.01Å; D73-L91 HydrophobicContact CB-CG 3.92Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.45Å; S87-L91 PolarHBondContact O-N 3.07Å; L91-M94 HydrophobicContact CD2-SD 4.33Å; L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 3.3Å; L91-F161 HydrophobicContact CD1-CD1 4.24Å; L91-A163 HydrophobicContact CB-CB 4.34Å; L91-A163 HydrophobicContact CD1-CB 3.5Å; L91-A163 VanDerWaalsContact CD1-CB 3.5Å
92K96.9Very high96.3Very high45 Ų4568.6 Ų68.620%0.19637%0.372CS..Hα-helixtrans-62.7-48169.7-80.9-179.7-178.2-171.30111.4I70 M88 M89 K90 A95 V96 D142 T144I70-K92 HydrophobicContact CG2-CG 4.35Å; M88-K92 HydrophobicContact CG-CD 4.35Å; M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 2.76Å; M88-K92 VanDerWaalsContact O-CG 3.24Å; M88-K92 WeakPolarHBondContact O-CG 3.4Å; M88-K92 PolarHBondContact O-N 3.25Å; M88-K92 HydrophobicContact SD-CD 4.39Å; M88-K92 HydrophobicContact SD-CG 4.23Å; M89-K92 PolarHBondContact O-N 2.78Å; K90-K92 PolarHBondContact O-N 2.76Å; K92-A95 CarbonylContact O-C 3.6Å; K92-A95 PolarHBondContact O-N 2.85Å; K92-V96 WeakPolarHBondContact O-CG2 3.41Å; K92-V96 PolarHBondContact O-N 2.93Å; K92-D142 WeakPolarHBondContact CE-OD2 3.46Å; K92-D142 IonicContact NZ-OD1 3.24Å; K92-D142 PolarHBondContact NZ-OD1 3.12Å; K92-D142 IonicContact NZ-OD2 2.83Å; K92-D142 PolarHBondContact NZ-OD2 3.03Å; K92-T144 PolarHBondContact NZ-OG1 3.39Å
93G97Very high96.2Very high42 Ų4269 Ų6943%0.43337%0.374SS..Hα-helixtrans-60-52178.100000112.4M89 K90 A95 V96 A97M89-G93 PolarHBondContact O-N 2.99Å; K90-G93 PolarHBondContact O-N 2.86Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.03Å; G93-V96 WeakPolarHBondContact O-CB 3.5Å; G93-V96 PolarHBondContact O-N 3.15Å; G93-A97 PolarHBondContact O-N 3.13Å
94M96.8Very high96.2Very high115 Ų11575 Ų7557%0.56740%0.401SS*.Hα-helixtrans-54.8-41.4174.8-70.2172.770.600112K90 L91 V96 A97 A98K90-M94 HydrophobicContact CG-SD 4.1Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.04Å; L91-M94 HydrophobicContact CD2-SD 4.33Å; M94-V96 PolarHBondContact O-N 2.84Å; M94-A97 PolarHBondContact O-N 3.45Å; M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.05Å
95A96.4Very high96.1Very high14 Ų1477.9 Ų77.912%0.11641%0.414CS..Hα-helixtrans-79-13.1178.600000114.9L91 K92 G93 R99L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 3.3Å; K92-A95 CarbonylContact O-C 3.6Å; K92-A95 PolarHBondContact O-N 2.85Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.03Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.3Å
96V96.5Very high96.1Very high104 Ų10477.2 Ų77.263%0.6341%0.411SS*.Hα-helixtrans-77.4-42.1165.4168.60000109.8K92 G93 M94 R99 S100K92-V96 WeakPolarHBondContact O-CG2 3.41Å; K92-V96 PolarHBondContact O-N 2.93Å; G93-V96 WeakPolarHBondContact O-CB 3.5Å; G93-V96 PolarHBondContact O-N 3.15Å; M94-V96 PolarHBondContact O-N 2.84Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.71Å; V96-S100 PolarHBondContact O-N 3.47Å; V96-S100 VanDerWaalsContact O-N 3.07Å
97A96.4Very high96.1Very high49 Ų4978.9 Ų78.941%0.40541%0.411SS..Hα-helixtrans-63.9-44.2173.100000112.4G93 M94 R99 S100 Q101G93-A97 PolarHBondContact O-N 3.13Å; M94-A97 PolarHBondContact O-N 3.45Å; A97-R99 PolarHBondContact O-N 2.95Å; A97-S100 PolarHBondContact O-N 2.91Å; A97-S100 PolarHBondContact O-OG 2.94Å; A97-Q101 PolarHBondContact O-N 3.34Å
98A96Very high96.1Very high25 Ų2578.4 Ų78.421%0.20741%0.408CS..Hα-helixtrans-59.7-33.9172.800000111.9M94 Q101 G102 K103M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 3.05Å; A98-Q101 CarbonylContact O-C 3.41Å; A98-Q101 WeakPolarHBondContact O-CB 3.46Å; A98-Q101 PolarHBondContact O-N 2.67Å; A98-G102 PolarHBondContact O-N 3.47Å; A98-K103 CarbonylContact C-O 3.59Å; A98-K103 HydrophobicContact CB-CB 4.29Å; A98-K103 WeakPolarHBondContact O-CA 3.17Å; A98-K103 WeakPolarHBondContact O-CB 3.47Å; A98-K103 PolarHBondContact O-N 3.24Å
99R95.3Very high96.1Very high179 Ų17981.7 Ų81.768%0.67542%0.42SS*.Hα-helixtrans-71.3-33.6177-176.1-179.3177.9-168.2-1.8113A95 V96 A97 Q101 G102A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.3Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.71Å; A97-R99 PolarHBondContact O-N 2.95Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-G102 PolarHBondContact O-N 3.46Å
100S95.2Very high96.1Very high105 Ų10577 Ų7773%0.73440%0.397SS*.Hα-helixtrans-70.2-27.2173.2620000112.1V96 A97 G102V96-S100 PolarHBondContact O-N 3.47Å; V96-S100 VanDerWaalsContact O-N 3.07Å; A97-S100 PolarHBondContact O-N 2.91Å; A97-S100 PolarHBondContact O-OG 2.94Å; S100-G102 PolarHBondContact O-N 2.87Å
101Q94.1Very high96.1Very high160 Ų16072.6 Ų72.675%0.74838%0.379SS*.THydrogen-bonded Turntrans-75.63.5166.4-60.9173.4-1200113.8A97 A98 R99 K103A97-Q101 PolarHBondContact O-N 3.34Å; A98-Q101 CarbonylContact O-C 3.41Å; A98-Q101 WeakPolarHBondContact O-CB 3.46Å; A98-Q101 PolarHBondContact O-N 2.67Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; Q101-K103 VanDerWaalsContact C-N 3.27Å; Q101-K103 PolarHBondContact O-N 2.97Å
102G93.6Very high96Very high46 Ų4672.3 Ų72.347%0.47438%0.377SS..THydrogen-bonded Turntrans78.5-3.6-178.300000115.5A98 R99 S100 H104A98-G102 PolarHBondContact O-N 3.47Å; R99-G102 PolarHBondContact O-N 3.46Å; S100-G102 PolarHBondContact O-N 2.87Å; G102-H104 PolarHBondContact O-CD2 3.17Å; G102-H104 PolarHBondContact O-N 2.96Å
103K94.3Very high96Very high156 Ų15670.1 Ų70.168%0.67837%0.367SS*.  trans-75.4109.7175.8-171.6175.8-178.2179.30109.9A98 Q101A98-K103 CarbonylContact C-O 3.59Å; A98-K103 HydrophobicContact CB-CB 4.29Å; A98-K103 WeakPolarHBondContact O-CA 3.17Å; A98-K103 WeakPolarHBondContact O-CB 3.47Å; A98-K103 PolarHBondContact O-N 3.24Å; Q101-K103 VanDerWaalsContact C-N 3.27Å; Q101-K103 PolarHBondContact O-N 2.97Å
104H94.3Very high95.8Very high147 Ų14770.4 Ų70.468%0.68136%0.358SS*.PPolyproline II helixtrans-81.9145.9176.5-68.2-69.9000112.2G102 Q106G102-H104 PolarHBondContact O-CD2 3.17Å; G102-H104 PolarHBondContact O-N 2.96Å; H104-Q106 PolarHBondContact O-N 3.41Å
105K95.4Very high95.6Very high63 Ų6367.6 Ų67.627%0.27435%0.35SS..PPolyproline II helixtrans-50.8132168.3-68.8-178-175.7-720110.7K68 L69 I70K68-K105 HydrophobicContact CB-CB 4.2Å; K68-K105 HydrophobicContact CD-CB 4.38Å; L69-K105 WeakPolarHBondContact O-CB 3.47Å; I70-K105 VanDerWaalsContact CA-NZ 3.25Å; I70-K105 PolarHBondContact O-NZ 3.16Å
106Q96.4Very high95.5Very high70 Ų7067 Ų6733%0.32735%0.345SS..PPolyproline II helixtrans-58.2150.6175.5-171.31650.300111K68 L69 H104 I108 D121 E128K68-Q106 WeakPolarHBondContact CA-O 3.22Å; K68-Q106 WeakPolarHBondContact CB-O 3.34Å; L69-Q106 PolarHBondContact N-O 2.89Å; H104-Q106 PolarHBondContact O-N 3.41Å; Q106-I108 HydrophobicContact CG-CG2 4.05Å; Q106-D121 PolarHBondContact NE2-OD1 2.64Å; Q106-E128 PolarHBondContact NE2-OE1 3.37Å; Q106-E128 PolarHBondContact NE2-OE2 2.66Å
107R96.8Very high95.5Very high109 Ų10962 Ų6241%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-103.6124.2177.8-60-174.365.7-139.8-8.1107.4K68 E122K68-R107 HydrophobicContact CG-CG 4.49Å; R107-E122 HydrophobicContact CB-CB 3.96Å; R107-E122 IonicContact CZ-OE1 3.14Å; R107-E122 VanDerWaalsContact CZ-OE1 3.31Å; R107-E122 IonicContact CZ-OE2 3.43Å; R107-E122 IonicContact NE-OE2 2.76Å; R107-E122 PolarHBondContact NE-OE2 2.86Å; R107-E122 IonicContact NH1-OE1 2.54Å; R107-E122 PolarHBondContact NH1-OE1 2.85Å; R107-E122 IonicContact NH1-OE2 2.78Å; R107-E122 IonicContact NH2-OE1 2.72Å; R107-E122 PolarHBondContact NH2-OE1 2.99Å; R107-E122 IonicContact NH2-OE2 3.83Å; R107-E122 PolarHBondContact NH2-OE2 2.96Å; R107-E122 WeakPolarHBondContact O-CB 3.44Å; R107-E122 PolarHBondContact O-N 3.33Å
108I97.8Very high95.5Very high0 Ų062.2 Ų62.20%031%0.305CS..EExtended strand (participates in β ladder)trans-131.6155.6-172.763.4170.6000110.5A67 L69 Q106 V110 I119 V120 I164A67-I108 CarbonylContact C-O 3.59Å; A67-I108 HydrophobicContact CB-CG1 4.08Å; A67-I108 PolarHBondContact N-O 2.98Å; A67-I108 PolarHBondContact O-N 3.27Å; A67-I108 VanDerWaalsContact O-O 3.07Å; L69-I108 HydrophobicContact CB-CD1 4.17Å; L69-I108 HydrophobicContact CB-CG2 4.42Å; Q106-I108 HydrophobicContact CG-CG2 4.05Å; I108-V110 HydrophobicContact CD1-CG2 4.03Å; I108-I119 HydrophobicContact CB-CG2 4.11Å; I108-I119 HydrophobicContact CD1-CD1 4.49Å; I108-I119 HydrophobicContact CD1-CG1 4.39Å; I108-I119 HydrophobicContact CD1-CG2 3.86Å; I108-I119 HydrophobicContact CG2-CG2 3.95Å; I108-V120 CarbonylContact C-O 3.55Å; I108-V120 VanDerWaalsContact CA-O 3.28Å; I108-V120 WeakPolarHBondContact CA-O 3.44Å; I108-I164 HydrophobicContact CD1-CD1 4.25Å; I108-I164 HydrophobicContact CD1-CG1 4.5Å; I108-I164 HydrophobicContact CD1-CG2 4.36Å
109W97.1Very high95.5Very high76 Ų7661 Ų6129%0.28830%0.295SS..EExtended strand (participates in β ladder)trans-93.9129.7155.4-61.594.9000108.6R64 Y65 K66 V120R64-W109 HydrophobicContact CB-CE3 4.01Å; R64-W109 HydrophobicContact CB-CZ3 4.43Å; R64-W109 HydrophobicContact CG-CE3 3.89Å; R64-W109 HydrophobicContact CG-CZ3 3.82Å; Y65-W109 WeakPolarHBondContact O-CA 3.32Å; K66-W109 HydrophobicContact CD-CH2 4.1Å; K66-W109 HydrophobicContact CD-CZ2 4.37Å; K66-W109 HydrophobicContact CD-CZ3 4.33Å; K66-W109 HydrophobicContact CG-CD2 4.24Å; K66-W109 HydrophobicContact CG-CE3 3.72Å; K66-W109 HydrophobicContact CG-CH2 3.68Å; K66-W109 HydrophobicContact CG-CZ2 4.15Å; K66-W109 HydrophobicContact CG-CZ3 3.41Å; K66-W109 VanDerWaalsContact CG-CZ3 3.41Å; W109-V120 HydrophobicContact CB-CB 4.34Å; W109-V120 PolarHBondContact N-O 2.7Å; W109-V120 PolarHBondContact O-N 2.83Å
110V97.4Very high95.6Very high0 Ų053.6 Ų53.60%027%0.27CS..EExtended strand (participates in β ladder)trans-93.4117.7161.7-178.60000106.3R64 Y65 A67 I108 I112 I117 I164 L173R64-V110 CarbonylContact C-O 3.5Å; R64-V110 WeakPolarHBondContact CA-O 3.41Å; Y65-V110 PolarHBondContact N-O 3.19Å; Y65-V110 PolarHBondContact O-N 3.39Å; A67-V110 HydrophobicContact CB-CG2 4.05Å; I108-V110 HydrophobicContact CD1-CG2 4.03Å; V110-I112 HydrophobicContact CG1-CG1 4.45Å; V110-I117 HydrophobicContact CG1-CG2 3.99Å; V110-I164 HydrophobicContact CG2-CD1 3.75Å; V110-I164 HydrophobicContact CG2-CG2 3.98Å; V110-L173 HydrophobicContact CB-CD1 4.27Å; V110-L173 HydrophobicContact CG1-CD1 4.33Å
111N96.6Very high95.7Very high13 Ų1349.2 Ų49.27%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-103.1135.3173.5-163.913.5000110.4D61 V63 I117 R118D61-N111 PolarHBondContact O-ND2 3.01Å; D61-N111 PolarHBondContact O-OD1 3.32Å; D61-N111 VanDerWaalsContact O-OD1 3.09Å; V63-N111 VanDerWaalsContact C-OD1 3.25Å; V63-N111 PolarHBondContact N-OD1 3.1Å; V63-N111 PolarHBondContact O-OD1 2.75Å; V63-N111 VanDerWaalsContact O-OD1 3.12Å; N111-I117 WeakPolarHBondContact O-CA 3.4Å; N111-R118 HydrophobicContact CB-CB 4.3Å; N111-R118 PolarHBondContact N-O 3.34Å; N111-R118 PolarHBondContact O-N 2.76Å
112I96.4Very high95.7Very high0 Ų043.6 Ų43.60%021%0.212CC..EExtended strand (participates in β ladder)trans-118.4116-178.4-62175.1000107.7F58 G62 V63 Y65 V110 L173 D176 L177 L180F58-I112 HydrophobicContact CD1-CG2 3.91Å; F58-I112 HydrophobicContact CE1-CG2 3.78Å; G62-I112 CarbonylContact C-O 3.48Å; G62-I112 VanDerWaalsContact CA-O 3.28Å; G62-I112 WeakPolarHBondContact CA-O 3.44Å; V63-I112 PolarHBondContact N-O 2.91Å; V63-I112 PolarHBondContact O-N 3.43Å; Y65-I112 HydrophobicContact CD2-CD1 4.17Å; Y65-I112 HydrophobicContact CE2-CD1 4.06Å; V110-I112 HydrophobicContact CG1-CG1 4.45Å; I112-L173 HydrophobicContact CD1-CD2 3.77Å; I112-L173 HydrophobicContact CD1-CG 3.79Å; I112-D176 HydrophobicContact CD1-CB 4.04Å; I112-L177 HydrophobicContact CD1-CD2 3.68Å; I112-L177 HydrophobicContact CD1-CG 3.77Å; I112-L177 HydrophobicContact CG1-CD2 3.8Å; I112-L177 HydrophobicContact CG1-CG 4.44Å; I112-L177 HydrophobicContact CG2-CD2 3.98Å; I112-L180 HydrophobicContact CG2-CB 4.36Å; I112-L180 HydrophobicContact CG2-CD2 3.69Å
113S95.9Very high95.7Very high0 Ų050.5 Ų50.50%023%0.228CC..EExtended strand (participates in β ladder)trans-143.4169.5-172.7640000111F58 S115 G116 L180F58-S113 CarbonylContact O-C 3.43Å; F58-S113 WeakPolarHBondContact O-CA 3.35Å; S113-S115 PolarHBondContact O-N 2.86Å; S113-S115 VanDerWaalsContact O-N 3.13Å; S113-S115 PolarHBondContact OG-N 2.76Å; S113-G116 PolarHBondContact N-O 2.99Å; S113-G116 WeakPolarHBondContact O-CA 3.28Å; S113-G116 PolarHBondContact O-N 2.84Å; S113-G116 PolarHBondContact OG-O 2.85Å; S113-L180 WeakPolarHBondContact O-CD1 3.44Å; S113-L180 VanDerWaalsContact O-CD2 3.28Å; S113-L180 WeakPolarHBondContact O-CD2 3.47Å
114M93.2Very high95.7Very high48 Ų4846.5 Ų46.524%0.23622%0.22CC..THydrogen-bonded Turntrans-56.5-26.8173.7-153.760.547.600113.1L55 F58 L180 V183 I184L55-M114 HydrophobicContact CD1-CE 3.9Å; F58-M114 HydrophobicContact CB-CE 3.73Å; F58-M114 PolarHBondContact O-N 2.87Å; M114-L180 HydrophobicContact CE-CD1 4.32Å; M114-L180 HydrophobicContact SD-CD1 4.34Å; M114-V183 HydrophobicContact CE-CG1 4.35Å; M114-I184 HydrophobicContact SD-CD1 3.75Å; M114-I184 HydrophobicContact SD-CG1 3.44Å; M114-I184 WeakPolarHBondContact SD-CG1 3.33Å
115S92.6Very high95.7Very high56 Ų5642.1 Ų42.139%0.39222%0.215SC..THydrogen-bonded Turntrans-71.2-29.6172.6-55.20000112.8S113 V132 V133S113-S115 PolarHBondContact O-N 2.86Å; S113-S115 VanDerWaalsContact O-N 3.13Å; S113-S115 PolarHBondContact OG-N 2.76Å; S115-V132 VanDerWaalsContact O-CA 3.31Å; S115-V132 WeakPolarHBondContact O-CA 3.37Å; S115-V133 PolarHBondContact O-N 2.95Å
116G94.1Very high95.7Very high1 Ų143.3 Ų43.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans131.3-147.3-177.500000113.1S113 H131 V133S113-G116 PolarHBondContact N-O 2.99Å; S113-G116 WeakPolarHBondContact O-CA 3.28Å; S113-G116 PolarHBondContact O-N 2.84Å; S113-G116 PolarHBondContact OG-O 2.85Å; G116-H131 WeakPolarHBondContact CA-O 3.41Å; G116-V133 VanDerWaalsContact CA-CG2 3.48Å
117I96.6Very high95.7Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-96.1127.4-180-60.6177.7000109.8V110 N111 H131 I136 Y151 L177V110-I117 HydrophobicContact CG1-CG2 3.99Å; N111-I117 WeakPolarHBondContact O-CA 3.4Å; I117-H131 PolarHBondContact N-O 3.25Å; I117-H131 PolarHBondContact O-N 3.23Å; I117-I136 HydrophobicContact CB-CD1 4.13Å; I117-I136 HydrophobicContact CD1-CD1 3.67Å; I117-I136 HydrophobicContact CG1-CD1 3.65Å; I117-Y151 HydrophobicContact CD1-CD1 3.79Å; I117-Y151 HydrophobicContact CD1-CD2 4.38Å; I117-Y151 HydrophobicContact CD1-CE1 3.88Å; I117-Y151 HydrophobicContact CD1-CE2 4.47Å; I117-Y151 HydrophobicContact CD1-CG 4.06Å; I117-Y151 HydrophobicContact CG2-CE1 4.05Å; I117-L177 HydrophobicContact CD1-CD1 4.07Å; I117-L177 HydrophobicContact CD1-CD2 3.64Å; I117-L177 HydrophobicContact CG1-CD2 3.72Å
118R95.8Very high95.6Very high53 Ų5342.3 Ų42.320%0.223%0.229CC..EExtended strand (participates in β ladder)trans-116127.8168.4-67172.7175.3156.31.3110.2N111 V120 I127 H129 E130N111-R118 HydrophobicContact CB-CB 4.3Å; N111-R118 PolarHBondContact N-O 3.34Å; N111-R118 PolarHBondContact O-N 2.76Å; R118-V120 HydrophobicContact CB-CG2 4.42Å; R118-I127 HydrophobicContact CB-CG2 4.3Å; R118-I127 HydrophobicContact CG-CG2 4.43Å; R118-H129 CarbonylContact C-O 3.48Å; R118-H129 WeakPolarHBondContact CA-O 3.46Å; R118-E130 HydrophobicContact CG-CB 4.23Å; R118-E130 HydrophobicContact CG-CG 3.98Å; R118-E130 IonicContact CZ-OE1 3.18Å; R118-E130 IonicContact NE-OE1 3Å; R118-E130 PolarHBondContact NE-OE1 2.97Å; R118-E130 IonicContact NE-OE2 2.7Å; R118-E130 PolarHBondContact NE-OE2 3.04Å; R118-E130 IonicContact NH2-OE1 2.71Å; R118-E130 PolarHBondContact NH2-OE1 3.06Å; R118-E130 IonicContact NH2-OE2 3.4Å
119I96.9Very high95.4Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-93.6122.7167.6-66.8178000107.9L69 I108 I127 E128 H129 Y151 F162 I164L69-I119 HydrophobicContact CD1-CD1 4.45Å; I108-I119 HydrophobicContact CB-CG2 4.11Å; I108-I119 HydrophobicContact CD1-CD1 4.49Å; I108-I119 HydrophobicContact CD1-CG1 4.39Å; I108-I119 HydrophobicContact CD1-CG2 3.86Å; I108-I119 HydrophobicContact CG2-CG2 3.95Å; I119-I127 CarbonylContact O-C 3.58Å; I119-I127 WeakPolarHBondContact O-CA 3.16Å; I119-E128 PolarHBondContact O-N 3.24Å; I119-H129 HydrophobicContact CB-CB 4.18Å; I119-H129 HydrophobicContact CD1-CB 4.42Å; I119-H129 PolarHBondContact N-O 3.34Å; I119-H129 PolarHBondContact O-N 3.01Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.42Å; I119-F162 HydrophobicContact CD1-CD1 3.55Å; I119-F162 HydrophobicContact CD1-CE1 3.95Å; I119-I164 HydrophobicContact CD1-CD1 4.12Å
120V96.7Very high95.3Very high23 Ų2345.9 Ų45.914%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-125128.3-179.2-169.70000109.1I108 W109 R118 G125 V126 I127I108-V120 CarbonylContact C-O 3.55Å; I108-V120 VanDerWaalsContact CA-O 3.28Å; I108-V120 WeakPolarHBondContact CA-O 3.44Å; W109-V120 HydrophobicContact CB-CB 4.34Å; W109-V120 PolarHBondContact N-O 2.7Å; W109-V120 PolarHBondContact O-N 2.83Å; R118-V120 HydrophobicContact CB-CG2 4.42Å; V120-G125 VanDerWaalsContact CG1-C 3.49Å; V120-G125 VanDerWaalsContact CG1-O 3.28Å; V120-G125 WeakPolarHBondContact CG1-O 3.4Å; V120-V126 WeakPolarHBondContact CA-O 3.25Å; V120-V126 WeakPolarHBondContact CG1-O 3.45Å; V120-I127 HydrophobicContact CG2-CG1 4.06Å
121D97.1Very high95.2Very high13 Ų1346.9 Ų46.97%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-69.1132.4179.5170.565.6000111.9Q106 K123 S124 G125 V126 E128Q106-D121 PolarHBondContact NE2-OD1 2.64Å; D121-K123 PolarHBondContact O-N 3.4Å; D121-K123 WeakPolarHBondContact OD2-CA 3.31Å; D121-K123 WeakPolarHBondContact OD2-CB 3.36Å; D121-K123 PolarHBondContact OD2-N 2.65Å; D121-K123 VanDerWaalsContact OD2-N 3.1Å; D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 WeakPolarHBondContact OD2-CB 3.34Å; D121-S124 PolarHBondContact OD2-N 2.81Å; D121-S124 PolarHBondContact OD2-OG 3.09Å; D121-G125 WeakPolarHBondContact O-CA 3.39Å; D121-G125 PolarHBondContact O-N 3.1Å; D121-V126 PolarHBondContact N-O 2.96Å; D121-E128 HydrophobicContact CB-CG 4.31Å
122E95.2Very high95Very high41 Ų4149.7 Ų49.719%0.19227%0.271CS..THydrogen-bonded Turntrans-72-13.1-176.1-174.2174.3174.100112.8K66 R107K66-E122 IonicContact NZ-OE1 3.7Å; K66-E122 PolarHBondContact NZ-OE1 3.39Å; R107-E122 HydrophobicContact CB-CB 3.96Å; R107-E122 IonicContact CZ-OE1 3.14Å; R107-E122 VanDerWaalsContact CZ-OE1 3.31Å; R107-E122 IonicContact CZ-OE2 3.43Å; R107-E122 IonicContact NE-OE2 2.76Å; R107-E122 PolarHBondContact NE-OE2 2.86Å; R107-E122 IonicContact NH1-OE1 2.54Å; R107-E122 PolarHBondContact NH1-OE1 2.85Å; R107-E122 IonicContact NH1-OE2 2.78Å; R107-E122 IonicContact NH2-OE1 2.72Å; R107-E122 PolarHBondContact NH2-OE1 2.99Å; R107-E122 IonicContact NH2-OE2 3.83Å; R107-E122 PolarHBondContact NH2-OE2 2.96Å; R107-E122 WeakPolarHBondContact O-CB 3.44Å; R107-E122 PolarHBondContact O-N 3.33Å
123K94.1Very high94.8Very high191 Ų19150.7 Ų50.783%0.8328%0.277SS*.THydrogen-bonded Turntrans-93.5-44.3178-64.6179.5173.1-177.30113.4D121D121-K123 PolarHBondContact O-N 3.4Å; D121-K123 WeakPolarHBondContact OD2-CA 3.31Å; D121-K123 WeakPolarHBondContact OD2-CB 3.36Å; D121-K123 PolarHBondContact OD2-N 2.65Å; D121-K123 VanDerWaalsContact OD2-N 3.1Å
124S94Very high94.6Very high72 Ų7256 Ų5650%0.50331%0.305SS..THydrogen-bonded Turntrans-97.9-23.2-173.660.20000113.4D121 V126D121-S124 WeakPolarHBondContact CB-OG 3.44Å; D121-S124 WeakPolarHBondContact OD2-CB 3.34Å; D121-S124 PolarHBondContact OD2-N 2.81Å; D121-S124 PolarHBondContact OD2-OG 3.09Å; S124-V126 PolarHBondContact O-N 2.94Å; S124-V126 PolarHBondContact OG-N 3.41Å
125G93.2Very high94.5Very high56 Ų5659.7 Ų59.758%0.57732%0.32SS*.  trans72.56.5-17400000114.2V120 D121V120-G125 VanDerWaalsContact CG1-C 3.49Å; V120-G125 VanDerWaalsContact CG1-O 3.28Å; V120-G125 WeakPolarHBondContact CG1-O 3.4Å; D121-G125 WeakPolarHBondContact O-CA 3.39Å; D121-G125 PolarHBondContact O-N 3.1Å
126V95.8Very high94.6Very high88 Ų8857.8 Ų57.853%0.53331%0.306SS..  trans-78.6137.6178.8178.30000110V120 D121 S124 E128V120-V126 WeakPolarHBondContact CA-O 3.25Å; V120-V126 WeakPolarHBondContact CG1-O 3.45Å; D121-V126 PolarHBondContact N-O 2.96Å; S124-V126 PolarHBondContact O-N 2.94Å; S124-V126 PolarHBondContact OG-N 3.41Å; V126-E128 PolarHBondContact O-N 2.97Å
127I95.4Very high94.5Very high83 Ų8360.3 Ų60.343%0.42632%0.323SS..EExtended strand (participates in β ladder)trans-73.9111.6170.1-53.6171.1000107.3R118 I119 V120 E130R118-I127 HydrophobicContact CB-CG2 4.3Å; R118-I127 HydrophobicContact CG-CG2 4.43Å; I119-I127 CarbonylContact O-C 3.58Å; I119-I127 WeakPolarHBondContact O-CA 3.16Å; V120-I127 HydrophobicContact CG2-CG1 4.06Å; I127-E130 HydrophobicContact CG2-CB 4.32Å
128E94.7Very high94.5Very high75 Ų7561.1 Ų61.135%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-88.8-35.2-178.7-63.5-177133.200111.7Q106 I119 D121 V126Q106-E128 PolarHBondContact NE2-OE1 3.37Å; Q106-E128 PolarHBondContact NE2-OE2 2.66Å; I119-E128 PolarHBondContact O-N 3.24Å; D121-E128 HydrophobicContact CB-CG 4.31Å; V126-E128 PolarHBondContact O-N 2.97Å
129H94.3Very high94.5Very high57 Ų5760 Ų6026%0.26432%0.324SS..EExtended strand (participates in β ladder)trans-140.7136.3177.1-50.8-85.4000110.6R118 I119 H131 F162R118-H129 CarbonylContact C-O 3.48Å; R118-H129 WeakPolarHBondContact CA-O 3.46Å; I119-H129 HydrophobicContact CB-CB 4.18Å; I119-H129 HydrophobicContact CD1-CB 4.42Å; I119-H129 PolarHBondContact N-O 3.34Å; I119-H129 PolarHBondContact O-N 3.01Å; H129-H131 WeakPolarHBondContact CB-NE2 3.09Å; H129-F162 HydrophobicContact CB-CE1 4.22Å; H129-F162 AromaticContact CD2-CE1 3.92Å; H129-F162 AromaticContact CG-CE1 3.76Å; H129-F162 AromaticContact ND1-CE1 3.9Å; H129-F162 AromaticContact ND1-CZ 3.98Å
130E95Very high94.4Very high93 Ų9360.3 Ų60.344%0.43533%0.327SS..EExtended strand (participates in β ladder)trans-127.8119.9173.2175158-16100109.7R118 I127R118-E130 HydrophobicContact CG-CB 4.23Å; R118-E130 HydrophobicContact CG-CG 3.98Å; R118-E130 IonicContact CZ-OE1 3.18Å; R118-E130 IonicContact NE-OE1 3Å; R118-E130 PolarHBondContact NE-OE1 2.97Å; R118-E130 IonicContact NE-OE2 2.7Å; R118-E130 PolarHBondContact NE-OE2 3.04Å; R118-E130 IonicContact NH2-OE1 2.71Å; R118-E130 PolarHBondContact NH2-OE1 3.06Å; R118-E130 IonicContact NH2-OE2 3.4Å; I127-E130 HydrophobicContact CG2-CB 4.32Å
131H95Very high94.4Very high22 Ų2264.5 Ų64.510%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-117.6106.6-178.4-49.6-79.3000108.9G116 I117 H129 I136 Y151 C153 F162G116-H131 WeakPolarHBondContact CA-O 3.41Å; I117-H131 PolarHBondContact N-O 3.25Å; I117-H131 PolarHBondContact O-N 3.23Å; H129-H131 WeakPolarHBondContact CB-NE2 3.09Å; H131-I136 HydrophobicContact CB-CD1 4.21Å; H131-I136 HydrophobicContact CB-CG1 4.01Å; H131-Y151 AromaticContact CD2-CE2 3.73Å; H131-Y151 AromaticContact CD2-CZ 3.76Å; H131-Y151 PolarHBondContact CD2-OH 2.9Å; H131-Y151 AromaticContact NE2-CE2 3.94Å; H131-Y151 AromaticContact NE2-CZ 3.93Å; H131-Y151 PolarHBondContact NE2-OH 2.92Å; H131-C153 HydrophobicContact CB-CB 4.49Å; H131-C153 PolarHBondContact CE1-SG 2.66Å; H131-C153 PolarHBondContact ND1-SG 2.96Å; H131-F162 AromaticContact CE1-CE1 3.87Å; H131-F162 AromaticContact CE1-CE2 3.48Å; H131-F162 VanDerWaalsContact CE1-CE2 3.48Å; H131-F162 WeakPolarHBondContact CE1-CE2 3.11Å; H131-F162 AromaticContact CE1-CZ 3.33Å; H131-F162 WeakPolarHBondContact CE1-CZ 3.24Å; H131-F162 AromaticContact NE2-CD1 3.97Å; H131-F162 AromaticContact NE2-CE1 3.56Å; H131-F162 AromaticContact NE2-CE2 3.87Å; H131-F162 AromaticContact NE2-CZ 3.53Å
132V93.6Very high94.3Very high71 Ų7164.8 Ų64.843%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-58.8141.8173.6-177.30000109.4S115 N134 K135S115-V132 VanDerWaalsContact O-CA 3.31Å; S115-V132 WeakPolarHBondContact O-CA 3.37Å; V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 PolarHBondContact O-N 3.36Å; V132-N134 VanDerWaalsContact O-N 3.1Å; V132-K135 WeakPolarHBondContact O-CA 3.33Å; V132-K135 WeakPolarHBondContact O-CB 3.49Å; V132-K135 PolarHBondContact O-N 3.28Å
133V92.1Very high94.2Very high22 Ų2268.7 Ų68.713%0.13337%0.368CS..G310 helixtrans-44-46.7178.5174.40000112.5S115 G116 K135 I136 L180 F181 I184S115-V133 PolarHBondContact O-N 2.95Å; G116-V133 VanDerWaalsContact CA-CG2 3.48Å; V133-K135 PolarHBondContact O-N 2.94Å; V133-I136 PolarHBondContact O-N 3.11Å; V133-I136 VanDerWaalsContact O-N 3.09Å; V133-L180 HydrophobicContact CG2-CD2 4.34Å; V133-F181 HydrophobicContact CG1-CD1 3.84Å; V133-F181 HydrophobicContact CG1-CE1 3.89Å; V133-I184 HydrophobicContact CB-CD1 4.23Å; V133-I184 HydrophobicContact CG1-CD1 3.93Å; V133-I184 HydrophobicContact CG1-CG2 4.46Å; V133-I184 HydrophobicContact CG2-CD1 3.64Å
134N90.9Very high94.2Very high110 Ų11063.5 Ų63.559%0.58835%0.352SS*.G310 helixtrans-68.6-2.5-178.9-144.3102.6000115V132 R188V132-N134 HydrophobicContact CG1-CB 4.48Å; V132-N134 PolarHBondContact O-N 3.36Å; V132-N134 VanDerWaalsContact O-N 3.1Å; N134-R188 PolarHBondContact OD1-NH1 3.35Å; N134-R188 PolarHBondContact OD1-NH2 3.43Å
135K91.9Very high94.3Very high127 Ų12761.7 Ų61.755%0.55234%0.337SS*.G310 helixtrans-110.40.8175-62.8-171.2176.4-172.80112.9V132 V133 C153 G154V132-K135 WeakPolarHBondContact O-CA 3.33Å; V132-K135 WeakPolarHBondContact O-CB 3.49Å; V132-K135 PolarHBondContact O-N 3.28Å; V133-K135 PolarHBondContact O-N 2.94Å; K135-C153 CarbonylContact O-C 3.59Å; K135-C153 WeakPolarHBondContact O-CA 3.26Å; K135-C153 WeakPolarHBondContact O-CB 3.24Å; K135-G154 PolarHBondContact O-N 3.29Å
136I94Very high94.4Very high16 Ų1664 Ų648%0.08234%0.336CS..EExtended strand (participates in β ladder)trans-101.2109.8178.9-56.2162.9000108I117 H131 V133 Y151 C153 F181I117-I136 HydrophobicContact CB-CD1 4.13Å; I117-I136 HydrophobicContact CD1-CD1 3.67Å; I117-I136 HydrophobicContact CG1-CD1 3.65Å; H131-I136 HydrophobicContact CB-CD1 4.21Å; H131-I136 HydrophobicContact CB-CG1 4.01Å; V133-I136 PolarHBondContact O-N 3.11Å; V133-I136 VanDerWaalsContact O-N 3.09Å; I136-Y151 HydrophobicContact CG2-CD2 4.34Å; I136-C153 HydrophobicContact CG1-CB 4.23Å; I136-F181 HydrophobicContact CB-CZ 3.99Å; I136-F181 HydrophobicContact CD1-CE1 4.47Å; I136-F181 HydrophobicContact CD1-CZ 4.33Å; I136-F181 HydrophobicContact CG2-CE2 4.43Å; I136-F181 HydrophobicContact CG2-CZ 3.8Å
137S93.2Very high94.4Very high53 Ų5365.1 Ų65.137%0.37133%0.331SS..EExtended strand (participates in β ladder)trans-92.5-30.1-170.1-53.80000113.2A78 V152A78-S137 WeakPolarHBondContact O-CB 3.35Å; S137-V152 PolarHBondContact N-O 3.08Å
138F95.3Very high94.5Very high18 Ų1861.3 Ų61.38%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-155.6155.4-176.4-168.5-121.6000113.2R79 D81 A140 Y151 V152R79-F138 HydrophobicContact CB-CB 4.04Å; R79-F138 HydrophobicContact CB-CD2 4.33Å; R79-F138 HydrophobicContact CB-CG 4.16Å; R79-F138 HydrophobicContact CG-CB 4.19Å; R79-F138 HydrophobicContact CG-CD1 4.38Å; R79-F138 HydrophobicContact CG-CD2 3.55Å; R79-F138 HydrophobicContact CG-CE2 3.96Å; R79-F138 HydrophobicContact CG-CG 3.79Å; D81-F138 WeakPolarHBondContact OD1-CZ 3.48Å; F138-A140 HydrophobicContact CD1-CB 4.32Å; F138-A140 HydrophobicContact CE1-CB 3.98Å; F138-Y151 CarbonylContact O-C 3.51Å; F138-Y151 WeakPolarHBondContact O-CA 3.32Å; F138-Y151 WeakPolarHBondContact O-CB 3.41Å; F138-V152 HydrophobicContact CB-CB 4.18Å; F138-V152 HydrophobicContact CB-CG2 4.23Å; F138-V152 PolarHBondContact N-O 2.83Å; F138-V152 PolarHBondContact O-N 3.18Å
139I95.8Very high94.7Very high28 Ų2857.8 Ų57.814%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-129.3115.3173.2-57.7165.5000108.6F149 G150 V174 L177 F181I139-F149 HydrophobicContact CG2-CD2 4.44Å; I139-G150 CarbonylContact C-O 3.51Å; I139-G150 WeakPolarHBondContact CA-O 3.25Å; I139-V174 HydrophobicContact CG2-CG1 4.05Å; I139-V174 HydrophobicContact CG2-CG2 4.44Å; I139-L177 HydrophobicContact CD1-CB 3.51Å; I139-L177 HydrophobicContact CD1-CD1 3.75Å; I139-L177 HydrophobicContact CD1-CG 4.21Å; I139-L177 HydrophobicContact CG1-CD1 4.34Å; I139-L177 HydrophobicContact CG2-CD1 4.45Å; I139-F181 HydrophobicContact CD1-CD2 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.52Å; I139-F181 HydrophobicContact CD1-CZ 4.13Å; I139-F181 HydrophobicContact CG1-CE2 4.22Å
140A95.6Very high94.8Very high7 Ų755 Ų556%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-99.2136.118000000111.3C84 F138 G150 F161C84-A140 HydrophobicContact CB-CB 3.36Å; F138-A140 HydrophobicContact CD1-CB 4.32Å; F138-A140 HydrophobicContact CE1-CB 3.98Å; A140-G150 PolarHBondContact N-O 2.89Å; A140-G150 PolarHBondContact O-N 3.46Å; A140-F161 HydrophobicContact CB-CE2 4.08Å
141R95.4Very high94.9Very high111 Ų11150.6 Ų50.642%0.41926%0.262SS..EExtended strand (participates in β ladder)trans-92140.3171.9-67.8177.7174.9-144.7-14.8109.8V143 E171 V174R141-V143 PolarHBondContact O-N 3.28Å; R141-E171 IonicContact CZ-OE1 2.89Å; R141-E171 IonicContact CZ-OE2 2.6Å; R141-E171 IonicContact NE-OE2 3.67Å; R141-E171 IonicContact NH1-OE1 2.63Å; R141-E171 PolarHBondContact NH1-OE1 3.16Å; R141-E171 IonicContact NH1-OE2 3.15Å; R141-E171 PolarHBondContact NH1-OE2 3.32Å; R141-E171 VanDerWaalsContact NH2-CD 3.29Å; R141-E171 IonicContact NH2-OE1 2.66Å; R141-E171 PolarHBondContact NH2-OE1 3.35Å; R141-E171 IonicContact NH2-OE2 3.38Å; R141-E171 PolarHBondContact NH2-OE2 2.81Å; R141-V174 HydrophobicContact CG-CG1 4.2Å
142D95.9Very high94.9Very high19 Ų1949.6 Ų49.610%0.10226%0.257CS..  trans-91.1101.6178.7-171.6-18.4000111.3M88 K92 T144 D145 A148M88-D142 WeakPolarHBondContact CG-OD2 3.05Å; K92-D142 WeakPolarHBondContact CE-OD2 3.46Å; K92-D142 IonicContact NZ-OD1 3.24Å; K92-D142 PolarHBondContact NZ-OD1 3.12Å; K92-D142 IonicContact NZ-OD2 2.83Å; K92-D142 PolarHBondContact NZ-OD2 3.03Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 VanDerWaalsContact O-N 3.11Å; D142-T144 WeakPolarHBondContact OD1-CA 3.49Å; D142-T144 WeakPolarHBondContact OD1-CB 3.19Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.04Å; D142-D145 CarbonylContact O-C 3.54Å; D142-D145 PolarHBondContact O-N 3.04Å; D142-D145 PolarHBondContact OD1-N 2.97Å; D142-A148 HydrophobicContact CB-CB 3.82Å; D142-A148 WeakPolarHBondContact CB-O 3.32Å; D142-A148 VanDerWaalsContact OD2-CB 3.23Å; D142-A148 WeakPolarHBondContact OD2-CB 3.37Å
143V92.7Very high95Very high123 Ų12346.4 Ų46.475%0.74524%0.238SC*.THydrogen-bonded Turntrans-60.7-17.9177.1-60.80000113.7R141R141-V143 PolarHBondContact O-N 3.28Å
144T94.5Very high94.9Very high82 Ų8246.4 Ų46.450%0.50324%0.243SC..THydrogen-bonded Turntrans-95.9-13-177.970.80000113.9M89 K92 D142M89-T144 HydrophobicContact CE-CG2 4.4Å; K92-T144 PolarHBondContact NZ-OG1 3.39Å; D142-T144 PolarHBondContact O-N 3.41Å; D142-T144 VanDerWaalsContact O-N 3.11Å; D142-T144 WeakPolarHBondContact OD1-CA 3.49Å; D142-T144 WeakPolarHBondContact OD1-CB 3.19Å; D142-T144 PolarHBondContact OD1-N 3.2Å; D142-T144 PolarHBondContact OD1-OG1 3.04Å
145D95.2Very high94.6Very high34 Ų3444.2 Ų44.218%0.18224%0.24CC..  trans-157.2101.1-179.1-171.8-10.5000110.2D142 R147 A148 K165D142-D145 CarbonylContact O-C 3.54Å; D142-D145 PolarHBondContact O-N 3.04Å; D142-D145 PolarHBondContact OD1-N 2.97Å; D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 PolarHBondContact OD1-N 2.77Å; D145-R147 IonicContact OD1-NE 3.3Å; D145-A148 HydrophobicContact CB-CB 4.11Å; D145-A148 PolarHBondContact O-N 2.9Å; D145-K165 IonicContact OD1-NZ 2.67Å; D145-K165 PolarHBondContact OD1-NZ 3.05Å; D145-K165 VanDerWaalsContact OD1-NZ 3.15Å; D145-K165 IonicContact OD2-NZ 3.28Å; D145-K165 PolarHBondContact OD2-NZ 3.13Å
146N96.3Very high94.2Very high105 Ų10547.2 Ų47.256%0.56126%0.256SS*.THydrogen-bonded Turntrans-64.47.1-178.4669.8000115.8Q169 A170N146-Q169 WeakPolarHBondContact O-CA 3.43Å; N146-A170 PolarHBondContact O-N 2.79Å
147R96.6Very high93.7Very high111 Ų11149.5 Ų49.542%0.41928%0.284SS..THydrogen-bonded Turntrans-117.217170.3-53.6175.7-69.2176.9-6.6111.8D145 K165 T166 Q168D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 PolarHBondContact OD1-N 2.77Å; D145-R147 IonicContact OD1-NE 3.3Å; R147-K165 CarbonylContact O-C 3.58Å; R147-K165 VanDerWaalsContact O-CA 3.24Å; R147-K165 WeakPolarHBondContact O-CA 3.49Å; R147-K165 VanDerWaalsContact O-CG 3.29Å; R147-K165 WeakPolarHBondContact O-CG 3.38Å; R147-T166 PolarHBondContact O-N 2.78Å; R147-T166 PolarHBondContact O-OG1 2.86Å; R147-T166 VanDerWaalsContact O-OG1 3.11Å; R147-Q168 VanDerWaalsContact CB-O 3.32Å; R147-Q168 WeakPolarHBondContact CB-O 3.4Å; R147-Q168 VanDerWaalsContact CG-O 3.25Å; R147-Q168 WeakPolarHBondContact CG-O 3.44Å
148A96.8Very high93.6Very high3 Ų354.3 Ų54.33%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-125.4149.5171.400000109.5I70 M88 D142 D145 I164I70-A148 HydrophobicContact CD1-CB 4.17Å; M88-A148 HydrophobicContact CE-CB 4.49Å; D142-A148 HydrophobicContact CB-CB 3.82Å; D142-A148 WeakPolarHBondContact CB-O 3.32Å; D142-A148 VanDerWaalsContact OD2-CB 3.23Å; D142-A148 WeakPolarHBondContact OD2-CB 3.37Å; D145-A148 HydrophobicContact CB-CB 4.11Å; D145-A148 PolarHBondContact O-N 2.9Å; A148-I164 VanDerWaalsContact CA-O 3.28Å; A148-I164 WeakPolarHBondContact CA-O 3.31Å
149F97.6Very high93.6Very high1 Ų154 Ų540%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-153.9170.4171.375.6-74000107M88 I139 Y151 I164 T166 A170 L173 V174 L177M88-F149 VanDerWaalsContact CE-O 3.31Å; M88-F149 WeakPolarHBondContact CE-O 3.33Å; I139-F149 HydrophobicContact CG2-CD2 4.44Å; F149-Y151 HydrophobicContact CE2-CD1 4.17Å; F149-I164 HydrophobicContact CD1-CB 4.24Å; F149-I164 HydrophobicContact CD1-CG2 4.46Å; F149-I164 HydrophobicContact CE1-CB 3.65Å; F149-I164 HydrophobicContact CE1-CG2 3.6Å; F149-I164 HydrophobicContact CZ-CB 3.91Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.48Å; F149-I164 HydrophobicContact CZ-CG2 4.06Å; F149-I164 PolarHBondContact N-O 3.23Å; F149-I164 PolarHBondContact O-N 3.4Å; F149-I164 VanDerWaalsContact O-O 3.09Å; F149-T166 HydrophobicContact CD1-CG2 4.27Å; F149-T166 HydrophobicContact CE1-CG2 3.97Å; F149-A170 HydrophobicContact CB-CB 4.17Å; F149-A170 HydrophobicContact CD1-CB 3.95Å; F149-A170 HydrophobicContact CG-CB 4.42Å; F149-L173 HydrophobicContact CD2-CD2 4.43Å; F149-L173 HydrophobicContact CE1-CD1 3.74Å; F149-L173 HydrophobicContact CE1-CD2 3.84Å; F149-L173 HydrophobicContact CE1-CG 4.41Å; F149-L173 HydrophobicContact CE2-CD2 3.65Å; F149-L173 HydrophobicContact CZ-CD1 3.85Å; F149-L173 HydrophobicContact CZ-CD2 3.32Å; F149-L173 HydrophobicContact CZ-CG 4.26Å; F149-V174 HydrophobicContact CB-CG2 3.82Å; F149-V174 HydrophobicContact CD2-CG2 4.09Å; F149-V174 HydrophobicContact CG-CG2 3.96Å; F149-L177 HydrophobicContact CE2-CD1 4.18Å
150G96.9Very high93.6Very high0 Ų056.2 Ų56.20%031%0.308CS..EExtended strand (participates in β ladder)trans-144.7169.216400000111.9I139 A140 F162I139-G150 CarbonylContact C-O 3.51Å; I139-G150 WeakPolarHBondContact CA-O 3.25Å; A140-G150 PolarHBondContact N-O 2.89Å; A140-G150 PolarHBondContact O-N 3.46Å; G150-F162 WeakPolarHBondContact CA-O 3.37Å
151Y96.9Very high93.7Very high0 Ų055.9 Ų55.90%031%0.306CS..EExtended strand (participates in β ladder)trans-131.4147.7170.360.9-94.2000109.8I117 I119 H131 I136 F138 F149 C153 F161 F162 I164I117-Y151 HydrophobicContact CD1-CD1 3.79Å; I117-Y151 HydrophobicContact CD1-CD2 4.38Å; I117-Y151 HydrophobicContact CD1-CE1 3.88Å; I117-Y151 HydrophobicContact CD1-CE2 4.47Å; I117-Y151 HydrophobicContact CD1-CG 4.06Å; I117-Y151 HydrophobicContact CG2-CE1 4.05Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.42Å; H131-Y151 AromaticContact CD2-CE2 3.73Å; H131-Y151 AromaticContact CD2-CZ 3.76Å; H131-Y151 PolarHBondContact CD2-OH 2.9Å; H131-Y151 AromaticContact NE2-CE2 3.94Å; H131-Y151 AromaticContact NE2-CZ 3.93Å; H131-Y151 PolarHBondContact NE2-OH 2.92Å; I136-Y151 HydrophobicContact CG2-CD2 4.34Å; F138-Y151 CarbonylContact O-C 3.51Å; F138-Y151 WeakPolarHBondContact O-CA 3.32Å; F138-Y151 WeakPolarHBondContact O-CB 3.41Å; F149-Y151 HydrophobicContact CE2-CD1 4.17Å; Y151-C153 HydrophobicContact CD2-CB 4.04Å; Y151-C153 HydrophobicContact CE2-CB 4.12Å; Y151-F161 WeakPolarHBondContact O-CA 3.46Å; Y151-F162 HydrophobicContact CD1-CB 4.14Å; Y151-F162 HydrophobicContact CD2-CB 4.12Å; Y151-F162 HydrophobicContact CE1-CB 3.7Å; Y151-F162 HydrophobicContact CE1-CG 4.39Å; Y151-F162 HydrophobicContact CE2-CB 3.67Å; Y151-F162 HydrophobicContact CE2-CD1 4.5Å; Y151-F162 AromaticContact CE2-CD2 3.82Å; Y151-F162 HydrophobicContact CE2-CD2 3.82Å; Y151-F162 AromaticContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CG-CB 4.34Å; Y151-F162 VanDerWaalsContact CZ-CB 3.42Å; Y151-F162 AromaticContact CZ-CG 3.64Å; Y151-F162 PolarHBondContact N-O 2.93Å; Y151-F162 PolarHBondContact O-N 3.36Å; Y151-F162 WeakPolarHBondContact OH-CD1 3.49Å; Y151-I164 HydrophobicContact CE1-CD1 3.81Å
152V96.4Very high93.8Very high0 Ų050.6 Ų50.60%029%0.286CS..EExtended strand (participates in β ladder)trans-94.4130.2169.1-176.30000107.6V75 A78 M83 C84 S137 F138 H159 Q160 F161V75-V152 HydrophobicContact CG2-CG1 4.05Å; A78-V152 WeakPolarHBondContact O-CB 3.42Å; A78-V152 WeakPolarHBondContact O-CG1 3.42Å; M83-V152 HydrophobicContact CE-CG2 4.01Å; C84-V152 VanDerWaalsContact SG-CG2 3.52Å; S137-V152 PolarHBondContact N-O 3.08Å; F138-V152 HydrophobicContact CB-CB 4.18Å; F138-V152 HydrophobicContact CB-CG2 4.23Å; F138-V152 PolarHBondContact N-O 2.83Å; F138-V152 PolarHBondContact O-N 3.18Å; V152-H159 HydrophobicContact CG1-CB 3.79Å; V152-Q160 WeakPolarHBondContact CA-O 3.42Å; V152-F161 HydrophobicContact CG2-CD2 3.91Å
153C94.3Very high93.9Very high5 Ų549.7 Ų49.73%0.03428%0.281CS..EExtended strand (participates in β ladder)trans-140.6147.5172.765.70000111H131 K135 I136 Y151 Q160 F162H131-C153 HydrophobicContact CB-CB 4.49Å; H131-C153 PolarHBondContact CE1-SG 2.66Å; H131-C153 PolarHBondContact ND1-SG 2.96Å; K135-C153 CarbonylContact O-C 3.59Å; K135-C153 WeakPolarHBondContact O-CA 3.26Å; K135-C153 WeakPolarHBondContact O-CB 3.24Å; I136-C153 HydrophobicContact CG1-CB 4.23Å; Y151-C153 HydrophobicContact CD2-CB 4.04Å; Y151-C153 HydrophobicContact CE2-CB 4.12Å; C153-Q160 PolarHBondContact N-O 2.72Å; C153-Q160 PolarHBondContact O-N 2.79Å; C153-F162 VanDerWaalsContact SG-CD2 3.54Å; C153-F162 WeakPolarHBondContact SG-CE2 3.29Å
154G89.9Confident94.1Very high22 Ų2243.9 Ų43.923%0.22725%0.246CC..EExtended strand (participates in β ladder)trans163.8173-177.900000113.2K135 Q158K135-G154 PolarHBondContact O-N 3.29Å; G154-Q158 VanDerWaalsContact CA-O 3.24Å; G154-Q158 WeakPolarHBondContact CA-O 3.46Å
155A85.1Confident94.3Very high64 Ų6442.1 Ų42.153%0.52923%0.231SC..EExtended strand (participates in β ladder)trans-82.9165.5155.900000109G157 Q158 H159A155-G157 PolarHBondContact O-N 2.95Å; A155-Q158 CarbonylContact O-C 3.52Å; A155-Q158 PolarHBondContact O-N 3.05Å; A155-H159 PolarHBondContact O-CE1 2.89Å; A155-H159 PolarHBondContact O-ND1 2.94Å
156E83.6Confident94.3Very high189 Ų18940.9 Ų40.988%0.88323%0.225SC*.THydrogen-bonded Turntrans-56.4127.1176.3-166.1163.9-167.100111.1Q158E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 3.35Å
157G83.2Confident94.2Very high65 Ų6539.2 Ų39.267%0.6723%0.225SC*.THydrogen-bonded Turntrans76.31.2-17400000116A155 H159A155-G157 PolarHBondContact O-N 2.95Å; G157-H159 PolarHBondContact N-NE2 3.27Å
158Q90.9Very high94.1Very high153 Ų15341.5 Ų41.572%0.71524%0.241SC*.EExtended strand (participates in β ladder)trans-132.153.9172.9-68.3-167.8-700111G154 A155 E156G154-Q158 VanDerWaalsContact CA-O 3.24Å; G154-Q158 WeakPolarHBondContact CA-O 3.46Å; A155-Q158 CarbonylContact O-C 3.52Å; A155-Q158 PolarHBondContact O-N 3.05Å; E156-Q158 VanDerWaalsContact C-N 3.27Å; E156-Q158 PolarHBondContact O-N 3.35Å
159H95.6Very high94Very high13 Ų1347 Ų476%0.0627%0.266CS..EExtended strand (participates in β ladder)trans-85132.5-179.9-55.6-63.8000111.4V75 E77 A78 V152 A155 G157V75-H159 HydrophobicContact CG2-CB 3.73Å; V75-H159 WeakPolarHBondContact CG2-O 3.44Å; V75-H159 PolarHBondContact N-O 3.19Å; E77-H159 VanDerWaalsContact C-CD2 3.43Å; A78-H159 PolarHBondContact N-CD2 2.83Å; V152-H159 HydrophobicContact CG1-CB 3.79Å; A155-H159 PolarHBondContact O-CE1 2.89Å; A155-H159 PolarHBondContact O-ND1 2.94Å; G157-H159 PolarHBondContact N-NE2 3.27Å
160Q96.4Very high94Very high73 Ų7347.1 Ų47.134%0.34127%0.268SS..EExtended strand (participates in β ladder)trans-121.4129.1176.5-76.3180-0.800110.5I72 D73 D74 V152 C153 F162I72-Q160 HydrophobicContact CG2-CB 4.05Å; I72-Q160 HydrophobicContact CG2-CG 4.35Å; D73-Q160 CarbonylContact O-C 3.58Å; D73-Q160 WeakPolarHBondContact O-CA 3.44Å; D74-Q160 VanDerWaalsContact OD1-CG 3.26Å; D74-Q160 WeakPolarHBondContact OD1-CG 3.22Å; D74-Q160 PolarHBondContact OD1-NE2 2.93Å; V152-Q160 WeakPolarHBondContact CA-O 3.42Å; C153-Q160 PolarHBondContact N-O 2.72Å; C153-Q160 PolarHBondContact O-N 2.79Å; Q160-F162 HydrophobicContact CB-CD2 4.2Å; Q160-F162 HydrophobicContact CB-CE2 3.72Å
161F97.4Very high94Very high1 Ų150.8 Ų50.80%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-93.2111.9174.9-178.2-107.9000110.8I72 D73 V75 C84 M88 L91 A140 Y151 V152 A163I72-F161 WeakPolarHBondContact CA-O 3.04Å; D73-F161 PolarHBondContact N-O 2.97Å; D73-F161 PolarHBondContact O-N 2.83Å; V75-F161 HydrophobicContact CG1-CB 3.7Å; V75-F161 HydrophobicContact CG2-CB 4.29Å; C84-F161 HydrophobicContact CB-CD2 4.1Å; C84-F161 HydrophobicContact CB-CE2 3.56Å; C84-F161 HydrophobicContact CB-CZ 3.98Å; C84-F161 WeakPolarHBondContact O-CE1 3.44Å; C84-F161 WeakPolarHBondContact O-CZ 3.2Å; M88-F161 HydrophobicContact CB-CE1 3.9Å; M88-F161 HydrophobicContact CB-CZ 4.23Å; M88-F161 HydrophobicContact CE-CE1 4.06Å; M88-F161 HydrophobicContact CE-CZ 3.99Å; L91-F161 HydrophobicContact CD1-CD1 4.24Å; A140-F161 HydrophobicContact CB-CE2 4.08Å; Y151-F161 WeakPolarHBondContact O-CA 3.46Å; V152-F161 HydrophobicContact CG2-CD2 3.91Å; F161-A163 HydrophobicContact CD1-CB 4.33Å; F161-A163 HydrophobicContact CE1-CB 3.91Å
162F97.6Very high93.9Very high0 Ų053.7 Ų53.70%030%0.303CS..EExtended strand (participates in β ladder)trans-91.9105.9178.1-80.3-105.4000109.9I72 I119 H129 H131 G150 Y151 C153 Q160I72-F162 HydrophobicContact CD1-CD1 4.05Å; I72-F162 HydrophobicContact CD1-CE1 3.34Å; I72-F162 HydrophobicContact CD1-CZ 3.67Å; I72-F162 HydrophobicContact CG1-CD1 3.76Å; I72-F162 HydrophobicContact CG1-CE1 3.57Å; I72-F162 HydrophobicContact CG1-CG 4.34Å; I72-F162 HydrophobicContact CG1-CZ 3.99Å; I72-F162 HydrophobicContact CG2-CD2 4.08Å; I72-F162 HydrophobicContact CG2-CE1 4.25Å; I72-F162 HydrophobicContact CG2-CE2 3.74Å; I72-F162 HydrophobicContact CG2-CG 4.45Å; I72-F162 HydrophobicContact CG2-CZ 3.82Å; I119-F162 HydrophobicContact CD1-CD1 3.55Å; I119-F162 HydrophobicContact CD1-CE1 3.95Å; H129-F162 HydrophobicContact CB-CE1 4.22Å; H129-F162 AromaticContact CD2-CE1 3.92Å; H129-F162 AromaticContact CG-CE1 3.76Å; H129-F162 AromaticContact ND1-CE1 3.9Å; H129-F162 AromaticContact ND1-CZ 3.98Å; H131-F162 AromaticContact CE1-CE1 3.87Å; H131-F162 AromaticContact CE1-CE2 3.48Å; H131-F162 VanDerWaalsContact CE1-CE2 3.48Å; H131-F162 WeakPolarHBondContact CE1-CE2 3.11Å; H131-F162 AromaticContact CE1-CZ 3.33Å; H131-F162 WeakPolarHBondContact CE1-CZ 3.24Å; H131-F162 AromaticContact NE2-CD1 3.97Å; H131-F162 AromaticContact NE2-CE1 3.56Å; H131-F162 AromaticContact NE2-CE2 3.87Å; H131-F162 AromaticContact NE2-CZ 3.53Å; G150-F162 WeakPolarHBondContact CA-O 3.37Å; Y151-F162 HydrophobicContact CD1-CB 4.14Å; Y151-F162 HydrophobicContact CD2-CB 4.12Å; Y151-F162 HydrophobicContact CE1-CB 3.7Å; Y151-F162 HydrophobicContact CE1-CG 4.39Å; Y151-F162 HydrophobicContact CE2-CB 3.67Å; Y151-F162 HydrophobicContact CE2-CD1 4.5Å; Y151-F162 AromaticContact CE2-CD2 3.82Å; Y151-F162 HydrophobicContact CE2-CD2 3.82Å; Y151-F162 AromaticContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CE2-CG 3.73Å; Y151-F162 HydrophobicContact CG-CB 4.34Å; Y151-F162 VanDerWaalsContact CZ-CB 3.42Å; Y151-F162 AromaticContact CZ-CG 3.64Å; Y151-F162 PolarHBondContact N-O 2.93Å; Y151-F162 PolarHBondContact O-N 3.36Å; Y151-F162 WeakPolarHBondContact OH-CD1 3.49Å; C153-F162 VanDerWaalsContact SG-CD2 3.54Å; C153-F162 WeakPolarHBondContact SG-CE2 3.29Å; Q160-F162 HydrophobicContact CB-CD2 4.2Å; Q160-F162 HydrophobicContact CB-CE2 3.72Å
163A97.7Very high93.9Very high0 Ų053.7 Ų53.70%030%0.303CS..EExtended strand (participates in β ladder)trans-90.9124.1178.700000110.8I70 G71 M88 L91 F161I70-A163 WeakPolarHBondContact CA-O 3.28Å; I70-A163 HydrophobicContact CB-CB 3.75Å; I70-A163 VanDerWaalsContact CB-O 3.22Å; I70-A163 WeakPolarHBondContact CB-O 3.23Å; I70-A163 HydrophobicContact CD1-CB 4.15Å; I70-A163 HydrophobicContact CG1-CB 4.42Å; I70-A163 HydrophobicContact CG2-CB 4.05Å; I70-A163 PolarHBondContact N-O 3.47Å; G71-A163 PolarHBondContact O-N 3.11Å; G71-A163 VanDerWaalsContact O-N 3.13Å; M88-A163 HydrophobicContact CE-CB 3.65Å; M88-A163 HydrophobicContact SD-CB 3.87Å; L91-A163 HydrophobicContact CB-CB 4.34Å; L91-A163 HydrophobicContact CD1-CB 3.5Å; L91-A163 VanDerWaalsContact CD1-CB 3.5Å; F161-A163 HydrophobicContact CD1-CB 4.33Å; F161-A163 HydrophobicContact CE1-CB 3.91Å
164I97.8Very high93.9Very high0 Ų053.6 Ų53.60%030%0.303CS..EExtended strand (participates in β ladder)trans-129.9136.9-172.6-61-175.7000110.8A67 L69 I108 V110 I119 A148 F149 Y151A67-I164 HydrophobicContact CB-CG2 3.61Å; L69-I164 HydrophobicContact CD1-CG1 4.36Å; I108-I164 HydrophobicContact CD1-CD1 4.25Å; I108-I164 HydrophobicContact CD1-CG1 4.5Å; I108-I164 HydrophobicContact CD1-CG2 4.36Å; V110-I164 HydrophobicContact CG2-CD1 3.75Å; V110-I164 HydrophobicContact CG2-CG2 3.98Å; I119-I164 HydrophobicContact CD1-CD1 4.12Å; A148-I164 VanDerWaalsContact CA-O 3.28Å; A148-I164 WeakPolarHBondContact CA-O 3.31Å; F149-I164 HydrophobicContact CD1-CB 4.24Å; F149-I164 HydrophobicContact CD1-CG2 4.46Å; F149-I164 HydrophobicContact CE1-CB 3.65Å; F149-I164 HydrophobicContact CE1-CG2 3.6Å; F149-I164 HydrophobicContact CZ-CB 3.91Å; F149-I164 HydrophobicContact CZ-CD1 4.08Å; F149-I164 HydrophobicContact CZ-CG1 4.48Å; F149-I164 HydrophobicContact CZ-CG2 4.06Å; F149-I164 PolarHBondContact N-O 3.23Å; F149-I164 PolarHBondContact O-N 3.4Å; F149-I164 VanDerWaalsContact O-O 3.09Å; Y151-I164 HydrophobicContact CE1-CD1 3.81Å
165K97.1Very high94.2Very high45 Ų4555.3 Ų55.320%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-110.4109.7174-167.1-175.5178.664.40110.9A67 K68 I70 D145 R147A67-K165 CarbonylContact C-O 3.4Å; A67-K165 WeakPolarHBondContact CA-O 3.34Å; K68-K165 PolarHBondContact N-O 3.43Å; K68-K165 PolarHBondContact O-N 3.31Å; I70-K165 HydrophobicContact CD1-CB 4.03Å; I70-K165 HydrophobicContact CG1-CB 3.89Å; D145-K165 IonicContact OD1-NZ 2.67Å; D145-K165 PolarHBondContact OD1-NZ 3.05Å; D145-K165 VanDerWaalsContact OD1-NZ 3.15Å; D145-K165 IonicContact OD2-NZ 3.28Å; D145-K165 PolarHBondContact OD2-NZ 3.13Å; R147-K165 CarbonylContact O-C 3.58Å; R147-K165 VanDerWaalsContact O-CA 3.24Å; R147-K165 WeakPolarHBondContact O-CA 3.49Å; R147-K165 VanDerWaalsContact O-CG 3.29Å; R147-K165 WeakPolarHBondContact O-CG 3.38Å
166T97.1Very high94.7Very high9 Ų952.6 Ų52.66%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-68.5155.4176.3480000112.1A67 R147 F149 Q168 A170 L173A67-T166 HydrophobicContact CB-CG2 4.47Å; R147-T166 PolarHBondContact O-N 2.78Å; R147-T166 PolarHBondContact O-OG1 2.86Å; R147-T166 VanDerWaalsContact O-OG1 3.11Å; F149-T166 HydrophobicContact CD1-CG2 4.27Å; F149-T166 HydrophobicContact CE1-CG2 3.97Å; T166-Q168 CarbonylContact C-O 3.39Å; T166-Q168 WeakPolarHBondContact CB-O 3.12Å; T166-Q168 PolarHBondContact OG1-O 2.94Å; T166-A170 HydrophobicContact CG2-CB 4.26Å; T166-A170 WeakPolarHBondContact OG1-CA 3.44Å; T166-A170 PolarHBondContact OG1-N 3.35Å; T166-L173 HydrophobicContact CG2-CD1 3.69Å
167A94.1Very high95.2Very high69 Ų6943.6 Ų43.657%0.5724%0.241SC*.SBendtrans-69.7-36.1174.400000112.2K66K66-A167 HydrophobicContact CB-CB 4.25Å; K66-A167 WeakPolarHBondContact O-CB 3.5Å; K66-A167 PolarHBondContact O-N 2.92Å
168Q93.6Very high95.7Very high160 Ų16044.9 Ų44.975%0.74823%0.228SC*.SBendtrans-108-163172.5-58.5-172.49.500109.8R147 T166R147-Q168 VanDerWaalsContact CB-O 3.32Å; R147-Q168 WeakPolarHBondContact CB-O 3.4Å; R147-Q168 VanDerWaalsContact CG-O 3.25Å; R147-Q168 WeakPolarHBondContact CG-O 3.44Å; T166-Q168 CarbonylContact C-O 3.39Å; T166-Q168 WeakPolarHBondContact CB-O 3.12Å; T166-Q168 PolarHBondContact OG1-O 2.94Å
169Q95.4Very high95.9Very high117 Ų11738.6 Ų38.655%0.54720%0.199SC..  trans-56.2145.9171-72.8178.2-37.700111.5N146 E171 P172N146-Q169 WeakPolarHBondContact O-CA 3.43Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; Q169-P172 WeakPolarHBondContact O-CD 3.34Å
170A96.8Very high95.9Very high5 Ų538 Ų384%0.04120%0.196CC..SBendtrans-79.6-21.7176.900000112.3N146 F149 T166 P172 L173 V174N146-A170 PolarHBondContact O-N 2.79Å; F149-A170 HydrophobicContact CB-CB 4.17Å; F149-A170 HydrophobicContact CD1-CB 3.95Å; F149-A170 HydrophobicContact CG-CB 4.42Å; T166-A170 HydrophobicContact CG2-CB 4.26Å; T166-A170 WeakPolarHBondContact OG1-CA 3.44Å; T166-A170 PolarHBondContact OG1-N 3.35Å; A170-P172 VanDerWaalsContact C-CD 3.48Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 PolarHBondContact O-N 3.23Å; A170-V174 PolarHBondContact O-N 3.06Å
171E96Very high95.7Very high76 Ų7637.2 Ų37.236%0.35519%0.192SC..Hα-helixtrans-49.1-46.3-175-169.263-163.600114.8R141 Q169 L173 V174 I175R141-E171 IonicContact CZ-OE1 2.89Å; R141-E171 IonicContact CZ-OE2 2.6Å; R141-E171 IonicContact NE-OE2 3.67Å; R141-E171 IonicContact NH1-OE1 2.63Å; R141-E171 PolarHBondContact NH1-OE1 3.16Å; R141-E171 IonicContact NH1-OE2 3.15Å; R141-E171 PolarHBondContact NH1-OE2 3.32Å; R141-E171 VanDerWaalsContact NH2-CD 3.29Å; R141-E171 IonicContact NH2-OE1 2.66Å; R141-E171 PolarHBondContact NH2-OE1 3.35Å; R141-E171 IonicContact NH2-OE2 3.38Å; R141-E171 PolarHBondContact NH2-OE2 2.81Å; Q169-E171 VanDerWaalsContact C-N 3.35Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.88Å; E171-V174 PolarHBondContact O-N 3.11Å; E171-I175 HydrophobicContact CG-CD1 3.91Å; E171-I175 WeakPolarHBondContact O-CB 3.28Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 2.98Å
172P95.8Very high95.6Very high61 Ų6141.7 Ų41.740%0.39621%0.213SC..Hα-helixtrans-65.9-31.5-179.9-19.534000113.4Q169 A170 D176Q169-P172 WeakPolarHBondContact O-CD 3.34Å; A170-P172 VanDerWaalsContact C-CD 3.48Å; P172-D176 PolarHBondContact O-N 2.9Å
173L96.1Very high95.4Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-73.5-44.4178.3-170.4168.5000109.8Y65 V110 I112 F149 T166 A170 E171 I175 D176 L177Y65-L173 HydrophobicContact CD1-CB 4.3Å; Y65-L173 HydrophobicContact CD1-CD1 4.37Å; Y65-L173 HydrophobicContact CD2-CB 4.35Å; Y65-L173 HydrophobicContact CD2-CD1 4.07Å; Y65-L173 HydrophobicContact CD2-CG 3.89Å; Y65-L173 HydrophobicContact CE1-CB 4.32Å; Y65-L173 HydrophobicContact CE2-CB 4.36Å; Y65-L173 HydrophobicContact CE2-CG 4.24Å; Y65-L173 HydrophobicContact CG-CB 4.32Å; Y65-L173 HydrophobicContact CG-CD1 3.8Å; Y65-L173 HydrophobicContact CG-CG 4.05Å; V110-L173 HydrophobicContact CB-CD1 4.27Å; V110-L173 HydrophobicContact CG1-CD1 4.33Å; I112-L173 HydrophobicContact CD1-CD2 3.77Å; I112-L173 HydrophobicContact CD1-CG 3.79Å; F149-L173 HydrophobicContact CD2-CD2 4.43Å; F149-L173 HydrophobicContact CE1-CD1 3.74Å; F149-L173 HydrophobicContact CE1-CD2 3.84Å; F149-L173 HydrophobicContact CE1-CG 4.41Å; F149-L173 HydrophobicContact CE2-CD2 3.65Å; F149-L173 HydrophobicContact CZ-CD1 3.85Å; F149-L173 HydrophobicContact CZ-CD2 3.32Å; F149-L173 HydrophobicContact CZ-CG 4.26Å; T166-L173 HydrophobicContact CG2-CD1 3.69Å; A170-L173 WeakPolarHBondContact O-CB 3.45Å; A170-L173 PolarHBondContact O-N 3.23Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.88Å; L173-I175 PolarHBondContact O-N 2.87Å; L173-D176 PolarHBondContact O-N 2.54Å; L173-L177 HydrophobicContact CD2-CD1 3.72Å; L173-L177 HydrophobicContact CD2-CG 4.1Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 3.15Å
174V95.8Very high95.1Very high4 Ų442.7 Ų42.72%0.02422%0.218CC..Hα-helixtrans-64.6-30.8175.1179.70000111.7I139 R141 F149 A170 E171 K178I139-V174 HydrophobicContact CG2-CG1 4.05Å; I139-V174 HydrophobicContact CG2-CG2 4.44Å; R141-V174 HydrophobicContact CG-CG1 4.2Å; F149-V174 HydrophobicContact CB-CG2 3.82Å; F149-V174 HydrophobicContact CD2-CG2 4.09Å; F149-V174 HydrophobicContact CG-CG2 3.96Å; A170-V174 PolarHBondContact O-N 3.06Å; E171-V174 PolarHBondContact O-N 3.11Å; V174-K178 PolarHBondContact O-N 3.36Å
175I95.2Very high94.8Very high58 Ų5847.8 Ų47.830%0.29724%0.241SC..Hα-helixtrans-69.1-49.6171.2-71.8168.1000111E171 L173 L177 K178 D179E171-I175 HydrophobicContact CG-CD1 3.91Å; E171-I175 WeakPolarHBondContact O-CB 3.28Å; E171-I175 VanDerWaalsContact O-CG1 3.25Å; E171-I175 WeakPolarHBondContact O-CG1 3.27Å; E171-I175 PolarHBondContact O-N 2.98Å; L173-I175 PolarHBondContact O-N 2.87Å; I175-L177 PolarHBondContact O-N 3.03Å; I175-K178 PolarHBondContact O-N 3.26Å; I175-D179 VanDerWaalsContact O-CG 3.24Å; I175-D179 PolarHBondContact O-N 2.84Å
176D95.5Very high94.5Very high7 Ų747.9 Ų47.94%0.03724%0.243CC..Hα-helixtrans-56.7-36.7176.7-98.121.9000112.1R57 F58 Y65 I112 P172 L173 D179 L180R57-D176 IonicContact CZ-OD1 2.89Å; R57-D176 VanDerWaalsContact CZ-OD1 3.24Å; R57-D176 IonicContact CZ-OD2 2.65Å; R57-D176 VanDerWaalsContact CZ-OD2 3.28Å; R57-D176 IonicContact NE-OD1 3.13Å; R57-D176 PolarHBondContact NE-OD1 2.81Å; R57-D176 IonicContact NE-OD2 3.33Å; R57-D176 PolarHBondContact NE-OD2 3.33Å; R57-D176 IonicContact NH2-OD1 3.89Å; R57-D176 PolarHBondContact NH2-OD1 2.87Å; R57-D176 IonicContact NH2-OD2 3.66Å; R57-D176 PolarHBondContact NH2-OD2 2.87Å; F58-D176 HydrophobicContact CE1-CB 3.98Å; F58-D176 HydrophobicContact CZ-CB 3.95Å; F58-D176 WeakPolarHBondContact CZ-O 3.49Å; Y65-D176 PolarHBondContact OH-OD2 3.34Å; Y65-D176 VanDerWaalsContact OH-OD2 3.05Å; I112-D176 HydrophobicContact CD1-CB 4.04Å; P172-D176 PolarHBondContact O-N 2.9Å; L173-D176 PolarHBondContact O-N 2.54Å; D176-D179 PolarHBondContact O-N 3.4Å; D176-L180 WeakPolarHBondContact O-CB 3.3Å; D176-L180 PolarHBondContact O-N 2.79Å
177L95.2Very high94Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-67.4-38.9174.4-70175.8000113.3I112 I117 I139 F149 L173 I175 L180 F181I112-L177 HydrophobicContact CD1-CD2 3.68Å; I112-L177 HydrophobicContact CD1-CG 3.77Å; I112-L177 HydrophobicContact CG1-CD2 3.8Å; I112-L177 HydrophobicContact CG1-CG 4.44Å; I112-L177 HydrophobicContact CG2-CD2 3.98Å; I117-L177 HydrophobicContact CD1-CD1 4.07Å; I117-L177 HydrophobicContact CD1-CD2 3.64Å; I117-L177 HydrophobicContact CG1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CB 3.51Å; I139-L177 HydrophobicContact CD1-CD1 3.75Å; I139-L177 HydrophobicContact CD1-CG 4.21Å; I139-L177 HydrophobicContact CG1-CD1 4.34Å; I139-L177 HydrophobicContact CG2-CD1 4.45Å; F149-L177 HydrophobicContact CE2-CD1 4.18Å; L173-L177 HydrophobicContact CD2-CD1 3.72Å; L173-L177 HydrophobicContact CD2-CG 4.1Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 3.15Å; I175-L177 PolarHBondContact O-N 3.03Å; L177-L180 PolarHBondContact O-N 3.34Å; L177-F181 WeakPolarHBondContact O-CG 3.3Å; L177-F181 PolarHBondContact O-N 3.03Å; L177-F181 VanDerWaalsContact O-N 3.11Å
178K93.3Very high93.7Very high91 Ų9154.1 Ų54.140%0.39626%0.255SS..Hα-helixtrans-64.9-43.8173.6-76.4-169.3171.8-156.50111.1V174 I175 L180 F181 Q182V174-K178 PolarHBondContact O-N 3.36Å; I175-K178 PolarHBondContact O-N 3.26Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 3.27Å; K178-F181 PolarHBondContact O-N 3.42Å; K178-Q182 WeakPolarHBondContact O-CB 2.94Å; K178-Q182 PolarHBondContact O-N 2.86Å
179D95.1Very high93.6Very high22 Ų2251.9 Ų51.912%0.11824%0.243CC..Hα-helixtrans-60.1-42.8176.3-62.4-22.8000111.4K49 L54 F58 I175 D176 Q182 V183K49-D179 WeakPolarHBondContact CD-OD2 3.35Å; K49-D179 IonicContact NZ-OD1 2.79Å; K49-D179 PolarHBondContact NZ-OD1 3.17Å; K49-D179 IonicContact NZ-OD2 3.27Å; K49-D179 PolarHBondContact NZ-OD2 3.3Å; L54-D179 HydrophobicContact CD1-CB 4.04Å; L54-D179 HydrophobicContact CD2-CB 3.79Å; F58-D179 HydrophobicContact CE2-CB 3.84Å; F58-D179 HydrophobicContact CZ-CB 4.07Å; I175-D179 VanDerWaalsContact O-CG 3.24Å; I175-D179 PolarHBondContact O-N 2.84Å; D176-D179 PolarHBondContact O-N 3.4Å; D179-Q182 PolarHBondContact O-N 3.46Å; D179-V183 PolarHBondContact O-N 3.44Å
180L94.6Very high93.2Very high0 Ų053.3 Ų53.30%025%0.247CC..Hα-helixtrans-60.6-47.3177174.863.9000112.1F58 I112 S113 M114 V133 D176 L177 K178 Q182 V183 I184F58-L180 HydrophobicContact CB-CD1 3.97Å; F58-L180 HydrophobicContact CD2-CB 4.13Å; F58-L180 HydrophobicContact CD2-CD1 4.01Å; F58-L180 HydrophobicContact CE2-CB 4.03Å; F58-L180 HydrophobicContact CG-CD1 4Å; F58-L180 HydrophobicContact CZ-CB 4.36Å; I112-L180 HydrophobicContact CG2-CB 4.36Å; I112-L180 HydrophobicContact CG2-CD2 3.69Å; S113-L180 WeakPolarHBondContact O-CD1 3.44Å; S113-L180 VanDerWaalsContact O-CD2 3.28Å; S113-L180 WeakPolarHBondContact O-CD2 3.47Å; M114-L180 HydrophobicContact CE-CD1 4.32Å; M114-L180 HydrophobicContact SD-CD1 4.34Å; V133-L180 HydrophobicContact CG2-CD2 4.34Å; D176-L180 WeakPolarHBondContact O-CB 3.3Å; D176-L180 PolarHBondContact O-N 2.79Å; L177-L180 PolarHBondContact O-N 3.34Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 3.27Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-V183 WeakPolarHBondContact O-CG1 3.24Å; L180-I184 HydrophobicContact CD1-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CG1 4.29Å; L180-I184 HydrophobicContact CG-CD1 4.06Å; L180-I184 WeakPolarHBondContact O-CB 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.29Å; L180-I184 VanDerWaalsContact O-N 3.13Å
181F93.6Very high92.5Very high56 Ų5658.7 Ų58.725%0.24627%0.272CS..Hα-helixtrans-66.5-37.1178.2-64.3-15.7000111.7V133 I136 I139 L177 K178 F185V133-F181 HydrophobicContact CG1-CD1 3.84Å; V133-F181 HydrophobicContact CG1-CE1 3.89Å; I136-F181 HydrophobicContact CB-CZ 3.99Å; I136-F181 HydrophobicContact CD1-CE1 4.47Å; I136-F181 HydrophobicContact CD1-CZ 4.33Å; I136-F181 HydrophobicContact CG2-CE2 4.43Å; I136-F181 HydrophobicContact CG2-CZ 3.8Å; I139-F181 HydrophobicContact CD1-CD2 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.52Å; I139-F181 HydrophobicContact CD1-CZ 4.13Å; I139-F181 HydrophobicContact CG1-CE2 4.22Å; L177-F181 WeakPolarHBondContact O-CG 3.3Å; L177-F181 PolarHBondContact O-N 3.03Å; L177-F181 VanDerWaalsContact O-N 3.11Å; K178-F181 PolarHBondContact O-N 3.42Å; F181-F185 WeakPolarHBondContact O-CB 3.47Å; F181-F185 PolarHBondContact O-N 3.28Å
182Q93.7Very high91.8Very high96 Ų9657.5 Ų57.545%0.44928%0.275SS..Hα-helixtrans-65.2-48176.4-168.265.261.500112.3K178 D179 L180 I184 F185 N186K178-Q182 WeakPolarHBondContact O-CB 2.94Å; K178-Q182 PolarHBondContact O-N 2.86Å; D179-Q182 PolarHBondContact O-N 3.46Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.29Å; Q182-F185 PolarHBondContact O-N 2.88Å; Q182-N186 PolarHBondContact NE2-OD1 2.89Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 PolarHBondContact O-N 3.43Å; Q182-N186 PolarHBondContact O-OD1 2.92Å
183V93.4Very high90.8Very high5 Ų559.5 Ų59.53%0.0328%0.279CS..Hα-helixtrans-66.4-34.3-179.670.90000111.9D51 L54 F58 M114 D179 L180 M187D51-V183 HydrophobicContact CB-CG2 4.03Å; L54-V183 HydrophobicContact CB-CB 3.93Å; L54-V183 HydrophobicContact CB-CG1 4.13Å; L54-V183 HydrophobicContact CB-CG2 4.01Å; L54-V183 HydrophobicContact CD1-CB 4.23Å; F58-V183 HydrophobicContact CD2-CG1 4.34Å; M114-V183 HydrophobicContact CE-CG1 4.35Å; D179-V183 PolarHBondContact O-N 3.44Å; L180-V183 WeakPolarHBondContact O-CG1 3.24Å; V183-M187 VanDerWaalsContact O-CB 3.23Å; V183-M187 WeakPolarHBondContact O-CB 3.42Å; V183-M187 PolarHBondContact O-N 3.47Å
184I91.9Very high89Confident16 Ų1663 Ų638%0.08230%0.304CS..Hα-helixtrans-69-40174.4-71.3173.8000111.5M114 V133 L180 Q182 M187 R188M114-I184 HydrophobicContact SD-CD1 3.75Å; M114-I184 HydrophobicContact SD-CG1 3.44Å; M114-I184 WeakPolarHBondContact SD-CG1 3.33Å; V133-I184 HydrophobicContact CB-CD1 4.23Å; V133-I184 HydrophobicContact CG1-CD1 3.93Å; V133-I184 HydrophobicContact CG1-CG2 4.46Å; V133-I184 HydrophobicContact CG2-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CD1 3.64Å; L180-I184 HydrophobicContact CD1-CG1 4.29Å; L180-I184 HydrophobicContact CG-CD1 4.06Å; L180-I184 WeakPolarHBondContact O-CB 3.42Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.29Å; L180-I184 VanDerWaalsContact O-N 3.13Å; Q182-I184 VanDerWaalsContact C-N 3.32Å; Q182-I184 PolarHBondContact O-N 3.29Å; I184-M187 PolarHBondContact O-N 3.49Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CG 3.15Å; I184-R188 PolarHBondContact O-N 2.83Å
185F90.9Very high87.1Confident107 Ų10766.3 Ų66.347%0.46933%0.327SS..Hα-helixtrans-63.1-48.5174.2-179.5-96.1000111.4F181 Q182 M187 R188 K189F181-F185 WeakPolarHBondContact O-CB 3.47Å; F181-F185 PolarHBondContact O-N 3.28Å; Q182-F185 PolarHBondContact O-N 2.88Å; F185-M187 VanDerWaalsContact C-N 3.31Å; F185-M187 PolarHBondContact O-N 2.6Å; F185-R188 PolarHBondContact O-N 3.15Å; F185-K189 VanDerWaalsContact O-CB 3.32Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 2.98Å
186N91Very high85.2Confident47 Ų4770.4 Ų70.425%0.25135%0.345SS..Hα-helixtrans-59.5-41.8176.6-66.64000111.7D51 Q182 K190D51-N186 VanDerWaalsContact CG-ND2 3.33Å; D51-N186 PolarHBondContact OD1-ND2 2.95Å; D51-N186 VanDerWaalsContact OD1-ND2 3.08Å; D51-N186 WeakPolarHBondContact OD2-CB 3.27Å; D51-N186 PolarHBondContact OD2-ND2 3Å; Q182-N186 PolarHBondContact NE2-OD1 2.89Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 PolarHBondContact O-N 3.43Å; Q182-N186 PolarHBondContact O-OD1 2.92Å; N186-K190 WeakPolarHBondContact O-CB 3.48Å; N186-K190 PolarHBondContact O-N 3.37Å
187M87.6Confident83Confident76 Ų7678.5 Ų78.537%0.37438%0.38SS..Hα-helixtrans-64.8-50.8178-169.6178.679.300111.7L55 V183 I184 F185 K189 K190 E191L55-M187 HydrophobicContact CD1-SD 4.32Å; V183-M187 VanDerWaalsContact O-CB 3.23Å; V183-M187 WeakPolarHBondContact O-CB 3.42Å; V183-M187 PolarHBondContact O-N 3.47Å; I184-M187 PolarHBondContact O-N 3.49Å; F185-M187 VanDerWaalsContact C-N 3.31Å; F185-M187 PolarHBondContact O-N 2.6Å; M187-K189 VanDerWaalsContact C-N 3.34Å; M187-K189 PolarHBondContact O-N 2.73Å; M187-K190 PolarHBondContact O-N 3.38Å; M187-E191 WeakPolarHBondContact O-CB 3.35Å; M187-E191 PolarHBondContact O-N 3.46Å
188R87.3Confident80.8Confident133 Ų13382.2 Ų82.250%0.50241%0.41SS..Hα-helixtrans-59.8-41.5176.3-77.4-175.2179.2-176.90.1112.3N134 I184 F185 E191 A192N134-R188 PolarHBondContact OD1-NH1 3.35Å; N134-R188 PolarHBondContact OD1-NH2 3.43Å; I184-R188 WeakPolarHBondContact O-CB 3.36Å; I184-R188 WeakPolarHBondContact O-CG 3.15Å; I184-R188 PolarHBondContact O-N 2.83Å; F185-R188 PolarHBondContact O-N 3.15Å; R188-E191 WeakPolarHBondContact O-CB 3.1Å; R188-E191 PolarHBondContact O-N 3.35Å; R188-A192 PolarHBondContact O-N 3.15Å
189K90.9Very high78.5Confident112 Ų11286.3 Ų86.349%0.48743%0.431SS..Hα-helixtrans-61.3-49177.6175.9169174.5169.40111.3F185 M187 E191 A192 E193F185-K189 VanDerWaalsContact O-CB 3.32Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 2.98Å; M187-K189 VanDerWaalsContact C-N 3.34Å; M187-K189 PolarHBondContact O-N 2.73Å; K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.25Å; K189-A192 PolarHBondContact O-N 2.86Å; K189-E193 WeakPolarHBondContact CE-OE1 3.29Å; K189-E193 IonicContact NZ-OE1 3.31Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 3.41Å
190K86.9Confident76.2Confident147 Ų14792.8 Ų92.864%0.63947%0.466SS*.Hα-helixtrans-64.5-34.3177.2-169.2-175.569.2179.50112.4N186 M187 S194N186-K190 WeakPolarHBondContact O-CB 3.48Å; N186-K190 PolarHBondContact O-N 3.37Å; M187-K190 PolarHBondContact O-N 3.38Å; K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 2.77Å; K190-S194 PolarHBondContact O-OG 2.76Å
191E82.8Confident73.8Confident119 Ų11995.8 Ų95.856%0.55650%0.496SS*.Hα-helixtrans-63.7-49.1174.3-170.9172.3-173.500110.9M187 R188 K189 S194 S195M187-E191 WeakPolarHBondContact O-CB 3.35Å; M187-E191 PolarHBondContact O-N 3.46Å; R188-E191 WeakPolarHBondContact O-CB 3.1Å; R188-E191 PolarHBondContact O-N 3.35Å; K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.25Å; E191-S194 PolarHBondContact O-N 2.58Å; E191-S194 VanDerWaalsContact O-N 3.16Å; E191-S194 PolarHBondContact O-OG 3.22Å; E191-S195 PolarHBondContact O-N 2.88Å
192A81.5Confident71.4Confident51 Ų5198.8 Ų98.842%0.42152%0.524SS..Hα-helixtrans-57.4-52.3174.800000112.4R188 K189 S194 S195 E196R188-A192 PolarHBondContact O-N 3.15Å; K189-A192 PolarHBondContact O-N 2.86Å; A192-S194 PolarHBondContact O-N 3.11Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.18Å; A192-S195 PolarHBondContact O-OG 3.07Å; A192-E196 PolarHBondContact O-N 2.84Å; A192-E196 VanDerWaalsContact O-N 3.11Å
193E74.6Confident68.6Low103 Ų10398.5 Ų98.548%0.48154%0.538SS..Hα-helixtrans-58.2-30.9176.6-71.2173.8179.100112.7K189K189-E193 WeakPolarHBondContact CE-OE1 3.29Å; K189-E193 IonicContact NZ-OE1 3.31Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 3.41Å
194S59Low65.8Low74 Ų74105.2 Ų105.252%0.51758%0.579SS.*Hα-helixtrans-76.7-29.1174.676.10000113.5K190 E191 A192K190-S194 WeakPolarHBondContact O-CB 3.41Å; K190-S194 PolarHBondContact O-N 2.77Å; K190-S194 PolarHBondContact O-OG 2.76Å; E191-S194 PolarHBondContact O-N 2.58Å; E191-S194 VanDerWaalsContact O-N 3.16Å; E191-S194 PolarHBondContact O-OG 3.22Å; A192-S194 PolarHBondContact O-N 3.11Å
195S55.8Low63.2Low73 Ų73108.7 Ų108.751%0.5161%0.61SS.*Hα-helixtrans-78.4-37179.866.30000113.4E191 A192 K197 A198E191-S195 PolarHBondContact O-N 2.88Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.18Å; A192-S195 PolarHBondContact O-OG 3.07Å; S195-K197 PolarHBondContact O-N 3.33Å; S195-A198 WeakPolarHBondContact O-CB 3.38Å; S195-A198 PolarHBondContact O-N 3.02Å
196E54.1Low60.3Low143 Ų143112.7 Ų112.767%0.66863%0.63SS**Hα-helixtrans-60.9-36173.2-68.4-169.1122.800111.8A192 A198 Q199A192-E196 PolarHBondContact O-N 2.84Å; A192-E196 VanDerWaalsContact O-N 3.11Å; E196-A198 PolarHBondContact O-N 3.5Å; E196-Q199 PolarHBondContact O-N 3Å
197K49.2Very low57.3Low178 Ų178118.5 Ų118.577%0.77466%0.661SS**Hα-helixtrans-71.6-7.8177.7-132.7173.9-172.1175.30114.2S195S195-K197 PolarHBondContact O-N 3.33Å
198A50Low54.6Low78 Ų78119.8 Ų119.865%0.64568%0.677SS**Hα-helixtrans-91-18.6175.300000113.7S195 E196S195-A198 WeakPolarHBondContact O-CB 3.38Å; S195-A198 PolarHBondContact O-N 3.02Å; E196-A198 PolarHBondContact O-N 3.5Å
199Q43.8Very low51.8Low176 Ų176120.2 Ų120.282%0.82269%0.689SS**Hα-helixtrans-92.6-30.2177.5-102.9-177.5-5.100113.9E196 G201E196-Q199 PolarHBondContact O-N 3Å; Q199-G201 PolarHBondContact O-N 2.89Å
200N47.6Very low48.9Very low159 Ų159123.1 Ų123.185%0.8571%0.71SS**SBendtrans-96.752.5175.3-75.1-54.4000112.2
201G43.2Very low46.2Very low63 Ų63124.6 Ų124.665%0.64972%0.719SS**  trans-153.122.7-169.700000116.8Q199Q199-G201 PolarHBondContact O-N 2.89Å
202S43.6Very low43.6Very low118 Ų118124.6 Ų124.683%0.82573%0.732SS**  trans-13044.9-175.5-174.90000114.4
203A34.8Very low41.1Very low91 Ų91131.5 Ų131.575%0.75275%0.753SS**SBendtrans-147.8119.9166.700000111.1
204V34.8Very low39.6Very low146 Ų146132.3 Ų132.389%0.88577%0.767SS**  trans50.8102.3165.4-171.20000116.7
205A36.9Very low38Very low88 Ų88133.5 Ų133.573%0.72778%0.781SS**  trans-93.5160.1154.700000110.5
206E31.5Very low37Very low191 Ų191138.6 Ų138.689%0.89380%0.797SS**  trans61.597.4164-53.9-166.1146.300118.3
207N26.5Very low36.3Very low169 Ų169137.2 Ų137.290%0.90480%0.8SS**  -147.2147.9108.9-139.7-15.2000110.4
208C31.8Very low35.5Very low104 Ų104134.6 Ų134.670%0.70380%0.799SS**  trans-135.6163.2-179.4-150.70000111.2
209D29.2Very low34.8Very low141 Ų141140.3 Ų140.375%0.75481%0.812SS**  trans56102173.8-62.3-44.8000118.3
210N29.5Very low34.5Very low173 Ų173139.2 Ų139.293%0.92581%0.807SS**  -148.3155.9121-116.7-74.7000112.6
211E30.2Very low34Very low178 Ų178138.3 Ų138.383%0.83280%0.801SS**  trans-96.1135.8-165.7-171.9-166.8152.300112.9
212S27.6Very low33.9Very low119 Ų119141.5 Ų141.583%0.83280%0.803SS**  trans173.3152.9136.541.30000115
213K29.8Very low34.3Very low197 Ų197141.7 Ų141.786%0.85780%0.795SS**  trans-98.9174.1164.4-98.9-179.2175.9173.70109.3
214P42.1Very low34.6Very low120 Ų120146.3 Ų146.378%0.77980%0.798SS**  cis-135.5169-32.438.5-23.9000113
215A25.6Very low34.9Very low98 Ų98142.7 Ų142.781%0.8179%0.79SS**  trans176.2153.314300000113.7
216Q34.5Very low34.8Very low181 Ų181146 Ų14685%0.84680%0.796SS**  trans-111.8154.6144-68.4-165.8-18.200107.2
217P39.4Very low35.3Very low114 Ų114144 Ų14474%0.7479%0.79SS**  -145.6155.884.238.2-21.4000116.6
218V32.3Very low35.9Very low122 Ų122144.6 Ų144.674%0.73978%0.784SS**  trans21.2123.3136.6-173.70000119.1
219E37.1Very low36.2Very low199 Ų199146 Ų14693%0.9379%0.79SS**  -146.1165.2128.5-131.2163.8-142.700111.2
220Q36.2Very low36.6Very low152 Ų152144.6 Ų144.671%0.7179%0.788SS**  trans-147.3160.8-158.5-168.4-164.4-91.100110.4
221L38.5Very low37.5Very low141 Ų141142.4 Ų142.474%0.73878%0.783SS**  trans78.2151.8178.5-47.1171.1000112.9
222D39.6Very low37.4Very low129 Ų129141.3 Ų141.369%0.6978%0.783SS**  cis-116.2147.23.1-100.1-27.2000109.9
223L52.3Low38.1Very low123 Ų123142.4 Ų142.464%0.64478%0.779SS**  90140.352.5-168.666.4000112.7
224F41.9Very low38.3Very low188 Ų188144.3 Ų144.383%0.82578%0.78SS**  trans70.4119.8-171.7-49-74.9000115.1
225G39.7Very low37.8Very low70 Ų70143.9 Ų143.972%0.72278%0.78SS**  cis-173171-4.100000113.2
226D36.1Very low38.3Very low157 Ų157144.9 Ų144.984%0.8478%0.778SS**  trans-60.8147.3178.2-51.4-92.4000113.1
227I41.4Very low38.3Very low149 Ų149144.9 Ų144.976%0.76478%0.778SS**  -169.211810940.8178.7000114.9
228K39.4Very low38.1Very low181 Ų181147.9 Ų147.979%0.78778%0.782SS**  66.8116.4129.7-65.3-175.5175.5-178.20123
229T37.7Very low38.4Very low135 Ų135146.5 Ų146.583%0.82878%0.778SS**  trans78.4158.7138.436.90000119.2
230P38.1Very low38.7Very low111 Ų111143.9 Ų143.972%0.72177%0.77SS**  trans-119.6-168.8-135.249.9-39000112.4
231P47.8Very low38.8Very low126 Ų126143.2 Ų143.282%0.81877%0.772SS**  trans-84.8147.7-169.234.8-32.5000113.3
232D28.1Very low39Very low155 Ų155144 Ų14483%0.82978%0.775SS**  trans-149.8164.6157.6-147.3-19.8000111.5
233I43.5Very low39.3Very low143 Ų143144 Ų14473%0.73378%0.775SS**  trans-107.4144.4-145.5-55.5157.2000113
234R33.3Very low38.7Very low237 Ų237146 Ų14689%0.89479%0.785SS**  trans149.3146.1145.3-79.8150.8-160.1-130.10.4109.9
235S31.4Very low38.8Very low111 Ų111141.7 Ų141.778%0.77677%0.77SS**  cis-128.8170.412.4-118.40000111.8
236P36.6Very low38.6Very low118 Ų118143.5 Ų143.577%0.76676%0.763SS**  trans-87.7149.6-165.134.7-35.5000114.7
237E32.9Very low39.2Very low181 Ų181141.5 Ų141.585%0.84675%0.747SS**  trans-83.8142.7151-71-167.7141.200109.8S239E237-S239 PolarHBondContact O-N 2.63Å; E237-S239 VanDerWaalsContact O-N 3.08Å
238E37.1Very low39.2Very low178 Ų178139.6 Ų139.683%0.83275%0.747SS**  trans-85.671.9-175.954.1-163.8131.800112.4N240E238-N240 PolarHBondContact O-N 2.89Å; E238-N240 PolarHBondContact O-ND2 2.67Å
239S37.7Very low39.3Very low92 Ų92135 Ų13564%0.64374%0.743SS**  trans-57.3116.6176.1-44.20000111.2E237 D241E237-S239 PolarHBondContact O-N 2.63Å; E237-S239 VanDerWaalsContact O-N 3.08Å; S239-D241 PolarHBondContact O-N 2.96Å
240N42.4Very low39.3Very low144 Ų144132.1 Ų132.177%0.7774%0.74SS**  trans-81.735.9-174.6-91.6-111.5000113.1E238E238-N240 PolarHBondContact O-N 2.89Å; E238-N240 PolarHBondContact O-ND2 2.67Å
241D39.8Very low39.6Very low139 Ų139134 Ų13474%0.74375%0.749SS**  trans-105.538.6-165.9-69.2-66.2000114.2S239S239-D241 PolarHBondContact O-N 2.96Å
242I41.4Very low38.9Very low157 Ų157133.6 Ų133.681%0.80574%0.74SS**  trans-116.358.8168.5-44.8-176.1000110.7
243L45.9Very low39.9Very low130 Ų130130 Ų13068%0.68174%0.74SS**  trans-110.939.4159-69.1-179000111.5L245L243-L245 PolarHBondContact O-N 2.87Å
244L39.6Very low39.9Very low164 Ų164128.3 Ų128.386%0.85973%0.732SS**  trans-67.783.2164.7-174.765.9000109.3D246L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.18Å
245L45.7Very low40.2Very low98 Ų98125.7 Ų125.751%0.51373%0.73SS.*  trans-72.883.1176.7-73.8176.3000110.6L243 F247L243-L245 PolarHBondContact O-N 2.87Å; L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 HydrophobicContact CB-CD2 4.09Å; L245-F247 HydrophobicContact CD1-CD2 4.4Å; L245-F247 HydrophobicContact CD1-CE2 4.28Å; L245-F247 HydrophobicContact CD2-CD2 4.34Å; L245-F247 HydrophobicContact CD2-CE2 4.01Å; L245-F247 PolarHBondContact O-N 2.9Å
246D35Very low40.4Very low108 Ų108127 Ų12758%0.57873%0.728SS**  trans-66.396.9158.7-176.319.4000109.5L244 S248L244-D246 VanDerWaalsContact C-N 3.32Å; L244-D246 PolarHBondContact O-N 3.18Å; D246-S248 WeakPolarHBondContact OD1-CA 3.36Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.23Å; D246-S248 PolarHBondContact OD1-OG 2.99Å
247F48.3Very low40.1Very low115 Ų115126.4 Ų126.450%0.50473%0.725SS.*  trans-103.916.6170.3-98.8-55.6000112.1L245L245-F247 VanDerWaalsContact C-N 3.31Å; L245-F247 HydrophobicContact CB-CD2 4.09Å; L245-F247 HydrophobicContact CD1-CD2 4.4Å; L245-F247 HydrophobicContact CD1-CE2 4.28Å; L245-F247 HydrophobicContact CD2-CD2 4.34Å; L245-F247 HydrophobicContact CD2-CE2 4.01Å; L245-F247 PolarHBondContact O-N 2.9Å
248S41Very low40.1Very low109 Ų109126.7 Ų126.776%0.76273%0.729SS**  trans-81.6-23.3-178-38.50000112.7D246D246-S248 WeakPolarHBondContact OD1-CA 3.36Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.23Å; D246-S248 PolarHBondContact OD1-OG 2.99Å
249A41.7Very low40Very low85 Ų85127.8 Ų127.870%0.70273%0.731SS**SBendtrans-76.4121.7175.200000111.8
250G38.2Very low39.5Very low74 Ų74131.1 Ų131.176%0.76374%0.742SS**SBendtrans12219.8159.900000118.9
251V44.7Very low38.9Very low150 Ų150128.6 Ų128.691%0.90974%0.736SS**  trans-126.375.1162.4-170.70000111.3
252D33.2Very low38.5Very low118 Ų118126.7 Ų126.763%0.63173%0.733SS**  trans-132.1145.1139.1-168.517.6000109.5N254D252-N254 PolarHBondContact OD1-ND2 3.34Å; D252-N254 PolarHBondContact OD2-ND2 3.43Å
253G49Very low37.9Very low80 Ų80129.5 Ų129.583%0.82574%0.74SS**  trans-14052.4-166.400000112.5
254N43.8Very low37.3Very low106 Ų106130.9 Ų130.957%0.56775%0.747SS**  trans-141.1-0.9-177.670.149.4000116.3D252 N256D252-N254 PolarHBondContact OD1-ND2 3.34Å; D252-N254 PolarHBondContact OD2-ND2 3.43Å; N254-N256 PolarHBondContact O-N 2.87Å
255Q38.7Very low36.8Very low182 Ų182130.7 Ų130.785%0.8575%0.747SS**  trans-61.494.9-170.9-79.1-80.2-22.700113.1
256N36.3Very low35.9Very low140 Ų140131 Ų13175%0.74976%0.757SS**  trans-114.9149169.7-139.5-20.8000107.8N254N254-N256 PolarHBondContact O-N 2.87Å
257C30.8Very low35.7Very low104 Ų104134.1 Ų134.170%0.70377%0.773SS**SBendtrans49.6108.7171.565.40000121.1
258M31.5Very low34.8Very low188 Ų188131.7 Ų131.793%0.92678%0.781SS**  79.3117.3124.4-64.3-177.8177.600121.8
259K34.9Very low34.9Very low200 Ų200132.6 Ų132.687%0.8778%0.784SS**  trans-49131.7155.6169.7-174.3-176.71750113.4
260D28.1Very low34.2Very low163 Ų163136 Ų13687%0.87279%0.79SS**  trans-154.2174.1148.8-107.8-29.5000112.1
261S30.6Very low33.9Very low91 Ų91143.2 Ų143.264%0.63680%0.796SS**  trans-80.4137-152.3570000119.4
262S30.8Very low33.1Very low99 Ų99145.3 Ų145.369%0.69280%0.796SS**  trans20.7137.7137.364.10000122.4
263F28.6Very low32.8Very low216 Ų216144 Ų14495%0.94780%0.801SS**  trans-149.2163.7139.2-89.5-64.7000112.2
264L34Very low32.4Very low159 Ų159146.5 Ų146.583%0.83280%0.803SS**  trans-109143.3-172.9-69.4165.1000112.8
265N27.6Very low31.9Very low160 Ų160147.8 Ų147.886%0.85682%0.815SS**  trans-179.3125.3136.4-92.5-24.9000107.6
266S26.9Very low31.5Very low104 Ų104145.8 Ų145.873%0.72781%0.81SS**  95.3107.351.1-1760000111.8
267L31.9Very low31.1Very low174 Ų174145 Ų14591%0.91182%0.815SS**  trans-174.3130.8138.9-101.6166.8000110
268G29.6Very low31.2Very low64 Ų64148.6 Ų148.666%0.6682%0.819SS**  trans-84.5-169.6164.600000111.7
269P42.7Very low31.2Very low128 Ų128146.8 Ų146.883%0.83181%0.813SS**  -139178.462.439.8-24.2000116
270D27.4Very low31Very low157 Ų157143.5 Ų143.584%0.8481%0.81SS**  trans-82.9167.7-168.8-44.5-99.3000115.7
271Y30.9Very low31.1Very low225 Ų225140.5 Ų140.588%0.88280%0.802SS**  trans-140.3138.9144.758.7-93.8000110.7
272E28Very low31.3Very low193 Ų193142 Ų14290%0.90281%0.807SS**  trans-77.2159.8-177.9-69-173.6101.600113.4
273A27.8Very low31.6Very low90 Ų90146.7 Ų146.774%0.74482%0.815SS**  trans-133.7134161.700000110.3
274P38.9Very low31.9Very low133 Ų133139.9 Ų139.986%0.86481%0.806SS**  trans-80.5-179.9-175.733.5-36.6000113.5
275T33.6Very low32.1Very low134 Ų134142.7 Ų142.782%0.82281%0.807SS**  trans-109.4156.4-156.3600000116.3
276N30.2Very low32.5Very low140 Ų140143.8 Ų143.875%0.74981%0.805SS**  trans73.1108.2142.4-174.229.7000120.7
277S29.4Very low33.2Very low122 Ų122144.6 Ų144.685%0.85381%0.807SS**  -148.5165.4126.164.40000111.4
278K32.9Very low33.5Very low180 Ų180140.3 Ų140.378%0.78380%0.797SS**  trans-112.2163.5-170.3-85.4-178.9174.3177.20113.9
279N30.6Very low34.2Very low151 Ų151143.1 Ų143.181%0.80780%0.804SS**  trans87.2147.6160.997.467.4000116
280T30.8Very low34.1Very low130 Ų130145 Ų14580%0.79881%0.807SS**  cis-131.4167.9-5.637.10000111.8
281S29.8Very low34.8Very low100 Ų100143.6 Ų143.670%0.69981%0.809SS**  trans-88.2147.3172.6171.70000112.3
282T34Very low35.9Very low123 Ų123138.1 Ų138.176%0.75580%0.795SS**  178.5110.8125-75.90000112
283F38.2Very low37.1Very low197 Ų197134.3 Ų134.386%0.86479%0.787SS**  trans49.6119155.5-74.2-103000121.1
284G34.1Very low37.9Very low73 Ų73139.1 Ų139.175%0.75379%0.792SS**  trans-110.5173.8166.200000113.3
285Y38Very low38.3Very low218 Ų218135.2 Ų135.286%0.85578%0.776SS**  trans-105.9143.8178.2-101.1-99.2000111.8
286F36.3Very low38.7Very low184 Ų184136.9 Ų136.981%0.80778%0.78SS**  trans61.9123171.4-77.7-77.8000119.5
287P41.8Very low39.4Very low120 Ų120135.9 Ų135.978%0.77978%0.775SS**PPolyproline II helixtrans-85.8164.5165.936.6-34000112.2
288A38.4Very low40.2Very low84 Ų84136.1 Ų136.169%0.69477%0.773SS**PPolyproline II helixtrans-78155.8168.300000111.4
289P43.9Very low40.6Very low124 Ų124134.4 Ų134.481%0.80577%0.772SS**PPolyproline II helixtrans-78.4121.4175.130.7-32.8000111.6
290D41.3Very low40.7Very low166 Ų166132.4 Ų132.489%0.88877%0.769SS**PPolyproline II helixtrans-71.5157.6172.2-81.9-53.5000112.6
291S42.9Very low40.7Very low128 Ų128131.7 Ų131.790%0.89577%0.769SS**SBendtrans-10374.2-169.3-63.20000113.8
292D54Low40.9Very low110 Ų110135.2 Ų135.259%0.58877%0.774SS**  trans-143.9112.9162.3-169.2-12.7000111.6F294 G295D292-F294 PolarHBondContact OD1-N 2.84Å; D292-G295 PolarHBondContact OD1-N 2.85Å
293P52.3Low41Very low113 Ų113134.6 Ų134.673%0.73477%0.772SS**SBendtrans-891.2177.333.6-31.6000115.1
294F45.3Very low40.7Very low191 Ų191132 Ų13284%0.83877%0.767SS**SBendtrans-140.122-175.6-71.4-71.8000115.1D292D292-F294 PolarHBondContact OD1-N 2.84Å
295G46.7Very low40.4Very low52 Ų52134.3 Ų134.354%0.53677%0.772SS.*  trans-71.6-29.6-177.400000116.7D292D292-G295 PolarHBondContact OD1-N 2.85Å
296D42.3Very low39.8Very low169 Ų169132 Ų13290%0.90477%0.767SS**  trans-112.486.4-168.4-74.6-57.2000113.8
297D45.3Very low39.6Very low118 Ų118128.9 Ų128.963%0.63176%0.763SS**  trans-107.9107.6164.7-175.3-3.9000110.6L299D297-L299 PolarHBondContact O-N 2.66Å
298P45Very low39.8Very low127 Ų127128.3 Ų128.383%0.82576%0.759SS**THydrogen-bonded Turntrans-78.226.7-167.833.7-38.1000115
299L41.4Very low39.3Very low145 Ų145132 Ų13276%0.75976%0.761SS**THydrogen-bonded Turntrans-120.5-4.2-177.1-67.3176000115.3D297 S301D297-L299 PolarHBondContact O-N 2.66Å; L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-S301 VanDerWaalsContact O-N 3.09Å
300C33.9Very low38.6Very low109 Ų109132.5 Ų132.574%0.73676%0.757SS**  trans-87.150.2-176-158.30000114.8Q302C300-Q302 PolarHBondContact O-N 3.34Å
301S30Very low38.2Very low114 Ų114128.1 Ų128.180%0.79774%0.744SS**  trans-83.393.2173.2620000111.7L299L299-S301 VanDerWaalsContact C-N 3.32Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-S301 VanDerWaalsContact O-N 3.09Å
302Q34.1Very low37.8Very low175 Ų175131 Ų13182%0.81874%0.743SS**  trans-79.5145.9173.3-71.8-147.8-11.900113.2C300C300-Q302 PolarHBondContact O-N 3.34Å
303P36.7Very low36.6Very low109 Ų109134.2 Ų134.271%0.70875%0.754SS**  trans-96.3153.7-170.836.8-36.4000116
304N30.7Very low36.3Very low142 Ų142133.8 Ų133.876%0.75975%0.752SS**  trans61.2116.5153.8-71.61.2000121.1
305S28.2Very low36.5Very low123 Ų123129.7 Ų129.786%0.8674%0.744SS**  trans-117.3155.2132.6-1710000109.5
306F26.1Very low35.8Very low170 Ų170132.5 Ų132.575%0.74675%0.751SS**  trans-86.3132.6-164.1-89.2-110.4000112.6
307V31.8Very low35.2Very low118 Ų118130.9 Ų130.972%0.71574%0.743SS**  68.714597.5170.50000114
308P46.1Very low34.6Very low108 Ų108132.4 Ų132.470%0.70175%0.75SS**  cis-118.3-1627.934.8-12.9000112.6
309H27.2Very low33.8Very low160 Ų160134 Ų13474%0.74175%0.751SS**  cis-164.8166.522.5-153.927.2000114.1
310N29.8Very low33.3Very low136 Ų136132.8 Ų132.873%0.72775%0.75SS**  trans65.5141.6168.6-70.7-15.6000119
311A31.7Very low33Very low73 Ų73132.4 Ų132.460%0.60375%0.748SS**  cis-162.8176-11.900000112.2
312H34.3Very low32.8Very low188 Ų188131.7 Ų131.787%0.8774%0.743SS**  trans7990.9164.3-65.2-70.8000121.5
313Q30.8Very low32.6Very low178 Ų178130.3 Ų130.383%0.83274%0.742SS**  trans-51.2-177139.7-77.3-177.8-24.600115.3
314P45.7Very low32.3Very low104 Ų104131.1 Ų131.168%0.67574%0.744SS**  cis-120-44.9-15.715.40.1000124.2
315P49.7Very low32.3Very low105 Ų105130.2 Ų130.268%0.68274%0.744SS**  -128.1162.2-114.936-19.3000117.6
316T31.1Very low32.3Very low111 Ų111132.7 Ų132.768%0.68174%0.739SS**  cis-167.3-172.8-30.743.30000107.5
317N30.1Very low32.3Very low136 Ų136130.1 Ų130.173%0.72774%0.738SS**  trans83.9133.6163.4-55.12.6000115.8
318N31.4Very low31.9Very low149 Ų149131 Ų13180%0.79774%0.739SS**  cis-146.3160.63.6-104.5-14.5000114.1
319L29.1Very low31.2Very low160 Ų160132.9 Ų132.984%0.83874%0.742SS**  trans-67.9158.6168.7-143.165.8000109.5
320V30.4Very low31.2Very low120 Ų120133 Ų13373%0.72775%0.748SS**  cis-165.9154.547.5178.70000111.5
321S27.1Very low31Very low101 Ų101129.5 Ų129.571%0.70674%0.743SS**  trans73.2114.6155.6-86.80000124.6
322S27.6Very low30.9Very low99 Ų99134.6 Ų134.669%0.69276%0.76SS**  60.9118.4111.5-52.70000123.3
323D28.3Very low30.6Very low147 Ų147131.2 Ų131.279%0.78676%0.757SS**  trans59.6116.3137.9-67.5-47000122.6
324T31.3Very low30.3Very low125 Ų125126.4 Ų126.477%0.76776%0.756SS**  trans59.4113.7138.6-47.30000119.4
325V30.9Very low29.5Very low124 Ų124130.1 Ų130.175%0.75276%0.764SS**  -179.2134.9125.1143.50000113.7
326K28.2Very low28.5Very low174 Ų174131.2 Ų131.276%0.75777%0.769SS**  trans14.3134.8152.8-50.8176.6179.4175.40123.4
327T26.1Very low28.5Very low116 Ų116129 Ų12971%0.71277%0.768SS**  70.7137.4129.855.10000123.6
328N23.3Very low28.7Very low138 Ų138132.3 Ų132.374%0.73878%0.779SS**  trans68.8129.9159.2-62.6-28.7000116.5
329L31.6Very low28.5Very low147 Ų147132.2 Ų132.277%0.7778%0.778SS**  cis107.6146.332-92.8170000111.8
330N26.8Very low28.8Very low163 Ų163131.8 Ų131.887%0.87278%0.776SS**  trans73.4139.3-173.2-52.7-11.9000114.9
331G24.9Very low28.8Very low61 Ų61134.1 Ų134.163%0.62978%0.779SS**  cis154.4156.6-10.500000113.7
332L31.2Very low28.8Very low181 Ų181138 Ų13895%0.94879%0.789SS**  trans66.9147.7177-46.1172000113.7
333S26.2Very low29.1Very low116 Ų116139.7 Ų139.781%0.81179%0.79SS**  cis-153.4156-11.945.90000106.2
334G26.1Very low29.5Very low78 Ų78141.8 Ų141.880%0.80480%0.795SS**  cis120.196.314.200000110.3
335E27.9Very low30.1Very low181 Ų181143.1 Ų143.185%0.84680%0.796SS**  trans-150158.5161.875.9167.7175.800113.1
336T30Very low30.4Very low129 Ų129140.4 Ų140.479%0.79178%0.783SS**  trans43.2124.7149.4-500000121.4
337G29.2Very low31Very low64 Ų64137.4 Ų137.466%0.6678%0.784SS**  trans113.976.8140.500000118N339G337-N339 PolarHBondContact O-N 3.15Å
338Q34.3Very low31.9Very low205 Ų205139.8 Ų139.896%0.95879%0.785SS**  trans11.7101.3151.2-61177.52.400117
339N28.5Very low33Very low147 Ų147138.2 Ų138.279%0.78678%0.784SS**  trans-116.1172.9164.1-155.6-88.9000111.1G337G337-N339 PolarHBondContact O-N 3.15Å
340L34.1Very low33.5Very low151 Ų151138.7 Ų138.779%0.79179%0.785SS**  trans-80.6179.7-168.9-66.4135.6000112.9
341Q30.4Very low34.5Very low169 Ų169137.1 Ų137.179%0.7978%0.775SS**  trans79.4106.1144.4-161.9160.547.800118.5
342M27.8Very low35.4Very low183 Ų183141.3 Ų141.390%0.90178%0.782SS**  -174.1116.5118.1-102.9-175.2-67.900111.5
343N35Very low36.1Very low135 Ų135136.7 Ų136.772%0.72277%0.77SS**  -171.848.8123.1-164.928.7000113.2L345N343-L345 PolarHBondContact O-N 3.49Å
344E36.6Very low37Very low191 Ų191138.7 Ų138.789%0.89377%0.77SS**  trans-91.475.7163.7-83.4-144.1119.200110.6S346E344-S346 PolarHBondContact O-N 3.48Å
345L43Very low37.8Very low152 Ų152141.7 Ų141.780%0.79677%0.768SS**  trans-85.271.4170.9-74179.2000112.2N343N343-L345 PolarHBondContact O-N 3.49Å
346S37.1Very low38.6Very low67 Ų67140 Ų14047%0.46977%0.765SS.*  trans43.2113.1133.1-1540000118.6E344 K348E344-S346 PolarHBondContact O-N 3.48Å; S346-K348 PolarHBondContact O-N 3.17Å
347S41Very low39.6Very low111 Ų111138.1 Ų138.178%0.77677%0.771SS**G310 helixtrans-59.35.3171.947.50000116.4S349S347-S349 VanDerWaalsContact C-N 3.33Å; S347-S349 PolarHBondContact O-N 2.81Å
348K45.4Very low39.9Very low167 Ų167143.6 Ų143.673%0.72678%0.779SS**G310 helixtrans-73.8-13.9-177.5-70.1-179.6177.81770114.9S346S346-K348 PolarHBondContact O-N 3.17Å
349S45.8Very low40.3Very low105 Ų105145.5 Ų145.573%0.73478%0.778SS**G310 helixtrans-80.6-29.6-179-1590000113.9S347S347-S349 VanDerWaalsContact C-N 3.33Å; S347-S349 PolarHBondContact O-N 2.81Å
350M42.4Very low41.1Very low157 Ų157144.1 Ų144.177%0.77378%0.777SS**G310 helixtrans-77.8-27.9-174.3-166.1174.6-70.500113.9L352 A353M350-L352 VanDerWaalsContact C-N 3.28Å; M350-L352 PolarHBondContact O-N 2.83Å; M350-A353 PolarHBondContact O-N 3.28Å
351I48.6Very low41.3Very low130 Ų130145 Ų14567%0.66778%0.781SS**G310 helixtrans-70.5-19.9-172.9-62.1-61.7000113A353I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.86Å
352L43.2Very low41.4Very low148 Ų148141.2 Ų141.278%0.77579%0.787SS**G310 helixtrans-75.8-16.1179-75.9167000114.2M350M350-L352 VanDerWaalsContact C-N 3.28Å; M350-L352 PolarHBondContact O-N 2.83Å
353A44.9Very low41.6Very low84 Ų84136.2 Ų136.269%0.69478%0.783SS**G310 helixtrans-80.2-15.5-174.800000114.8M350 I351M350-A353 PolarHBondContact O-N 3.28Å; I351-A353 VanDerWaalsContact C-N 3.33Å; I351-A353 PolarHBondContact O-N 2.86Å
354L45.3Very low41.5Very low158 Ų158134.9 Ų134.983%0.82779%0.785SS**G310 helixtrans-98.1-6.7-171.6-68.7173.6000115
355N43.5Very low41.4Very low142 Ų142134 Ų13476%0.75978%0.784SS**SBendtrans-92.5-13.9-170.9-155.317.6000114.6
356N45Very low40.8Very low146 Ų146132.1 Ų132.178%0.78178%0.779SS**SBendtrans-107.896.9178-78.45.9000110.6Q358N356-Q358 PolarHBondContact O-N 3.25Å
357G49.9Very low40.5Very low88 Ų88138.1 Ų138.191%0.90780%0.8SS**  trans-69.887.1-173.500000115
358Q35.7Very low39.9Very low180 Ų180136.5 Ų136.584%0.84180%0.8SS**  trans-132.8106.6172.5-168.1171.332.500111.1N356 P360N356-Q358 PolarHBondContact O-N 3.25Å; Q358-P360 WeakPolarHBondContact O-CD 3.48Å
359W43.1Very low39.3Very low245 Ų245135.5 Ų135.593%0.92881%0.808SS**  trans-80.1124.3174.9-70.998000111L361W359-L361 PolarHBondContact O-N 3.15Å
360P45.2Very low38.6Very low117 Ų117133.4 Ų133.476%0.7680%0.803SS**  trans-76.7108.5168.830.1-31.5000110.3Q358Q358-P360 WeakPolarHBondContact O-CD 3.48Å
361L38.3Very low38.1Very low170 Ų170134.2 Ų134.289%0.8981%0.809SS**  trans-65144.9157.5-74.9164.8000108.9W359W359-L361 PolarHBondContact O-N 3.15Å
362G32.8Very low37.4Very low89 Ų89134.4 Ų134.492%0.91882%0.817SS**  trans-63139.7-166.800000114.9
363G31.9Very low36.7Very low79 Ų79136.2 Ų136.281%0.81482%0.823SS**  trans-150143.8172.300000110.4
364S32.6Very low36.1Very low107 Ų107141.2 Ų141.275%0.74883%0.834SS**  trans-88147.5-178.3172.40000111.7
365I34.1Very low35.3Very low171 Ų171141.4 Ų141.488%0.87784%0.836SS**  trans-154.3156.1142.6-112.6161.4000110.1
366T30.9Very low34.7Very low114 Ų114136.8 Ų136.870%0.69982%0.823SS**  trans-132.6149.6-169.3-34.90000110.6
367Q31.7Very low34.2Very low193 Ų193136.9 Ų136.990%0.90282%0.823SS**  trans68.3146.1174.7-53.6-174.3-8.500116.2
368G28.4Very low33.4Very low76 Ų76141.1 Ų141.178%0.78482%0.819SS**  trans153.373.717700000114.8
369T31.3Very low33.1Very low146 Ų146137.8 Ų137.890%0.89682%0.815SS**  trans-51.5138.6160-32.70000109.1
370G32.3Very low32.4Very low61 Ų61135.7 Ų135.763%0.62982%0.815SS**  cis117.588.814.300000109.6
371I31.5Very low31.8Very low175 Ų175139.5 Ų139.590%0.89782%0.823SS**  trans-145.5127.6172.8-2.9170.3000110.8
372T33.5Very low31.3Very low134 Ų134135 Ų13582%0.82282%0.817SS**  trans-85.2155.2166.141.70000110.9
373M28.2Very low31Very low185 Ų185139.5 Ų139.591%0.91182%0.819SS**  trans-63.9132.2165.3-60.7-90-77.700109.9
374M33.7Very low30.7Very low189 Ų189141.2 Ų141.293%0.93182%0.818SS**  trans-154.5143.1146.2-106-58.5170.500109
375D28.2Very low30.5Very low162 Ų162140.2 Ų140.287%0.86682%0.816SS**  trans-104.1159.2175.9-173.619000109.4
376G31.2Very low30.4Very low46 Ų46141.8 Ų141.847%0.47482%0.817SS.*  trans109.6123.7161.600000118.4
377N33.6Very low30.3Very low148 Ų148144.2 Ų144.279%0.79183%0.826SS**  80.177.6128.5-51.4-5.6000118.9
378E32.7Very low30.6Very low176 Ų176140 Ų14082%0.82282%0.815SS**  trans26.1129.3133.469.9-163.910700123.2
379C29.7Very low30.5Very low111 Ų111146 Ų14675%0.7582%0.82SS**  trans64.990.4138.2-153.60000120.2
380Q29.6Very low30.4Very low200 Ų200147.8 Ų147.894%0.93582%0.815SS**  trans-149.4135.4130.4-119.9154.6101.200112
381Q32.3Very low30.2Very low197 Ų197152 Ų15292%0.92182%0.824SS**  trans-97.4139.9177.3-67.8175.5-3500110.1
382G28.1Very low30Very low75 Ų75147.4 Ų147.477%0.77381%0.807SS**  trans147.253.8168.200000117.1S384G382-S384 PolarHBondContact O-N 2.58Å
383I26.3Very low29.6Very low185 Ų185145.7 Ų145.795%0.94980%0.8SS**  trans-67.2112.6169.442170.7000111
384S25.4Very low29.7Very low114 Ų114145.3 Ų145.380%0.79780%0.801SS**  trans-146.3154.5175.6-171.60000110G382G382-S384 PolarHBondContact O-N 2.58Å
385A28.6Very low29.4Very low86 Ų86145.4 Ų145.471%0.71180%0.796SS**  trans57.6107.6-16700000113.6
386K30.7Very low29.4Very low204 Ų204144.6 Ų144.689%0.88780%0.797SS**  55.2102.367.6-64.1-170.5174.7-1750113.8
387N30.2Very low29.1Very low166 Ų166147.8 Ų147.889%0.88881%0.812SS**  trans-71.4137.8154.8-78.9-25.4000109.8
388P36.5Very low29.5Very low105 Ų105146 Ų14668%0.68281%0.809SS**SBendtrans-87.4122.7-178.632.9-32.5000111.9
389F26.4Very low29.4Very low200 Ų200142.9 Ų142.988%0.87780%0.801SS**  -175.393.5105.9-105.5-74.4000109.5
390F29.8Very low29.2Very low184 Ų184142.6 Ų142.681%0.80780%0.801SS**  trans-84.5144.8154.3-96.1-98.4000107.8
391D27.2Very low29.1Very low151 Ų151142.7 Ų142.781%0.80779%0.794SS**  -177.9148.7112.4-100.2-29.7000111
392S27.8Very low28.9Very low77 Ų77139.2 Ų139.254%0.53878%0.782SS.*  cis-156.8170.9-16.5-143.80000110.5
393S25.6Very low29.2Very low98 Ų98142.7 Ų142.769%0.68578%0.781SS**  trans29.8133.3140-54.60000119.3
394L31Very low29.3Very low178 Ų178139.2 Ų139.293%0.93277%0.773SS**  -149.2164.367.7-89.1167.9000115.2
395K27.5Very low29.4Very low191 Ų191141.1 Ų141.183%0.8377%0.774SS**  trans-117.1123-162.8162.4-170.1176.1-1780110.3
396T27Very low30.4Very low144 Ų144141.5 Ų141.588%0.88377%0.77SS**  trans-161.8124.2153.318.30000112
397S24.1Very low30.2Very low113 Ų113140.7 Ų140.779%0.7977%0.769SS**  trans-100.7-175.8151.2-40.80000106.7
398P43.4Very low30.3Very low110 Ų110137 Ų13771%0.71476%0.761SS**  cis-146.5-153.623.435.6-8.6000115.1
399V29.1Very low30.7Very low111 Ų111137.3 Ų137.367%0.67376%0.763SS**  trans67.8137170.1-1110000115.7Y401V399-Y401 HydrophobicContact CG1-CD2 4.17Å; V399-Y401 HydrophobicContact CG1-CE2 4.3Å
400S26.1Very low31Very low105 Ų105133.7 Ų133.773%0.73476%0.758SS**  cis-142.9142.618.3-60.50000116.1
401Y28.2Very low30.9Very low202 Ų202130.4 Ų130.479%0.79275%0.753SS**  trans9.4153.7139.3-70.4-104.1000121.8V399V399-Y401 HydrophobicContact CG1-CD2 4.17Å; V399-Y401 HydrophobicContact CG1-CE2 4.3Å
402N27.8Very low31.2Very low124 Ų124131 Ų13166%0.66375%0.75SS**  cis178.4179.5-20.2-158.5-21.7000107.8
403I33.8Very low31.3Very low148 Ų148132 Ų13276%0.75976%0.757SS**  trans74.4136.6159-59.1152.6000114.5
404S29.4Very low31.6Very low113 Ų113134.4 Ų134.479%0.7976%0.762SS**  cis-147.2158.45.137.80000114.4
405N26.7Very low31.6Very low153 Ų153133.8 Ų133.882%0.81876%0.76SS**  trans-84.9-168.5166.6-1319.4000110.6
406P49.3Very low31.8Very low94 Ų94129.9 Ų129.961%0.6176%0.757SS**  cis-138.6-172.1-19.434.9-13.2000115.9
407E26.2Very low32.3Very low188 Ų188128.5 Ų128.588%0.87975%0.748SS**  trans101.1160.6138.1-134.8154.1132.800122
408A33.5Very low33.2Very low87 Ų87129.2 Ų129.272%0.71975%0.747SS**  trans-132.2-148.6-161.100000110.6
409P45.7Very low33.1Very low112 Ų112131.1 Ų131.173%0.72775%0.75SS**  cis-136.3159.710.942.6-23.5000119.1
410V31.4Very low33.5Very low125 Ų125130.6 Ų130.676%0.75875%0.751SS**  trans41.9125.2138.4-179.30000121.1
411T29Very low34.8Very low114 Ų114131 Ų13170%0.69975%0.751SS**  -170.1135.7122.217.50000115.3
412H32.5Very low35.6Very low164 Ų164127.1 Ų127.176%0.75975%0.751SS**  trans54109.3152-53.6-47.6000124.4
413S29.8Very low36.2Very low97 Ų97127.1 Ų127.168%0.67876%0.757SS**  76.3121.6119.8-53.20000123.9
414N31.6Very low36.3Very low150 Ų150128.3 Ų128.380%0.80276%0.76SS**  trans81.5132.3144.6-57.9-8.9000121.9
415D31.4Very low36.3Very low164 Ų164130.5 Ų130.588%0.87776%0.763SS**  trans43112.5159.4-76.2-57.4000122.7
416S32.7Very low36.6Very low110 Ų110131.3 Ų131.377%0.76976%0.759SS**  trans-149.2145.4150.1-157.20000105.7
417V37.4Very low36Very low114 Ų114135.7 Ų135.769%0.69177%0.769SS**  cis-143.813143176.60000111.9I419V417-I419 HydrophobicContact CG1-CG1 4.06Å
418V42.7Very low36.3Very low129 Ų129132.2 Ų132.278%0.78277%0.765SS**  trans-86.4106160.2176.20000108.6S420V418-S420 PolarHBondContact O-N 3.36Å; V418-S420 VanDerWaalsContact O-N 3.15Å
419I41Very low36.2Very low150 Ų150132 Ų13277%0.76977%0.771SS**  trans-69.1112.5173.3-63.5-179.1000108.4V417V417-I419 HydrophobicContact CG1-CG1 4.06Å
420S36.8Very low35.7Very low99 Ų99138.8 Ų138.869%0.69278%0.783SS**PPolyproline II helixtrans-77.9130.1-177.9-650000111.2V418V418-S420 PolarHBondContact O-N 3.36Å; V418-S420 VanDerWaalsContact O-N 3.15Å
421P53.8Low35.8Very low113 Ų113136.4 Ų136.473%0.73478%0.783SS**PPolyproline II helixtrans-69.5144.3170.829.6-33.8000110.6
422P45.4Very low36.3Very low121 Ų121143 Ų14379%0.78680%0.795SS**PPolyproline II helixtrans-64.3148.9177.226.6-33.9000111.6
423P41Very low36.4Very low124 Ų124146 Ų14681%0.80580%0.8SS**PPolyproline II helixtrans-74.2137.4-16227.7-35.7000114.1
424Q35.1Very low36.5Very low174 Ų174147.3 Ų147.381%0.81380%0.799SS**PPolyproline II helixtrans-66.6138158.9-64.6-178.6-20.100109.6
425N28.9Very low36.4Very low159 Ų159145.3 Ų145.385%0.8579%0.793SS**  trans-123.4106.9170.7-164-22.1000111.2
426F33.1Very low36.3Very low169 Ų169147.2 Ų147.274%0.74179%0.793SS**  trans-113.8111172.2-89.7-80.7000109.6
427K36Very low36.1Very low186 Ų186147.2 Ų147.281%0.80980%0.8SS**  172.3151.9118-93.8155.5-175.2172.10114.5
428S33.4Very low35.7Very low116 Ų116145.3 Ų145.381%0.81180%0.803SS**  trans24.8130.5143.4-47.80000120
429G31.8Very low35.1Very low82 Ų82145.2 Ų145.285%0.84581%0.808SS**  cis127.81331.600000112.7
430R35.6Very low34.8Very low255 Ų255142.9 Ų142.996%0.96281%0.805SS**  trans-153.7117.3173.3-161.9179.7-166.4-1716.2110.7
431G33.7Very low34.6Very low75 Ų75144.6 Ų144.677%0.77381%0.807SS**  trans-9314817900000113.5
432R39.4Very low34Very low253 Ų253145.8 Ų145.896%0.95581%0.806SS**  trans-133.6146.8150.3-87.7-168.6171.1-114.3-0.2109.6
433R34.4Very low33.4Very low226 Ų226149.7 Ų149.785%0.85381%0.811SS**  trans-78.8166.3170.7-59.4170.4-81.6139.8-5.6107.8
434N31.1Very low32.9Very low124 Ų124147.4 Ų147.466%0.66381%0.81SS**  cis-171164.240.5-152.148.8000112.1
435T29.1Very low32.9Very low109 Ų109143.8 Ų143.867%0.66981%0.81SS**  trans37.9110.5149.949.60000122.3
436K30Very low33.1Very low204 Ų204143.5 Ų143.589%0.88781%0.809SS**  33.2115.5111.7-174.1-175.8-179.5-176.40117.6
437A27.6Very low33.3Very low109 Ų109143.5 Ų143.590%0.90182%0.815SS**  trans-125.6147.8146.900000109.2
438G30.2Very low33.3Very low74 Ų74144.6 Ų144.676%0.76382%0.82SS**  trans-166.1134.5172.400000107.4
439S29Very low33.1Very low127 Ų127143 Ų14389%0.88882%0.822SS**  trans-150.6129.2-171.152.50000110.2
440S34.4Very low33Very low101 Ų101143.8 Ų143.871%0.70682%0.82SS**  trans-126.4139.8170.554.50000108.6
441D34.2Very low32.6Very low136 Ų136137.4 Ų137.473%0.72782%0.815SS**  trans72.6114.2150.8-56.6-39.6000123.1
442L39.8Very low32.4Very low138 Ų138139 Ų13972%0.72381%0.814SS**  80.5144.5119.3-66.6170.7000123.6
443F33.8Very low31.9Very low202 Ų202135.1 Ų135.189%0.88681%0.807SS**  trans63.9148.1175.2-55-79.4000116.2
444G30.3Very low31.6Very low76 Ų76130.6 Ų130.678%0.78481%0.805SS**  cis-174.2-178.8-4.200000108.7
445A35.2Very low31.6Very low98 Ų98130.1 Ų130.181%0.8181%0.811SS**  cis-157.1-139.3-2.100000110.2
446D33.6Very low32.8Very low154 Ų154130.7 Ų130.782%0.82482%0.817SS**  trans-68155.1-169.6-54.3-84.3000119.2
447L36.1Very low32.8Very low168 Ų168125.7 Ų125.788%0.8881%0.813SS**  trans-149.5143149.4-165.661.7000112.4
448F35.5Very low32.9Very low210 Ų210127 Ų12792%0.92181%0.805SS**  trans-68.5148.4-168.1-67.5-103.9000116.2
449G30.1Very low33.2Very low82 Ų82131.6 Ų131.685%0.84581%0.811SS**  trans-170.6133.7162.200000111.1
450A28.8Very low33.3Very low98 Ų98134.1 Ų134.181%0.8181%0.807SS**  trans-121.4150.4-169.900000113.3
451S28.5Very low33.4Very low122 Ų122135.8 Ų135.885%0.85381%0.808SS**  trans169.4144.5134.4-89.80000113.8
452S30.1Very low33.2Very low107 Ų107136.9 Ų136.975%0.74881%0.813SS**  trans41.6107149.2-149.80000118.9
453E28.3Very low33Very low172 Ų172136.4 Ų136.480%0.80482%0.816SS**  87.6145.357-166.9177.4-111.300114.6
454T28.1Very low33.7Very low132 Ų132132 Ų13281%0.8181%0.808SS**  trans91.2131.1176.369.60000119.7
455S31.4Very low33.8Very low114 Ų114135.6 Ų135.680%0.79782%0.815SS**  trans-124.2-159.2175-31.80000107.5
456P52.8Low33.8Very low121 Ų121138 Ų13879%0.78681%0.814SS**  cis-127.1-174.7-34.239.6-24.6000111.8
457A30.6Very low33.6Very low98 Ų98137.2 Ų137.281%0.8182%0.815SS**  trans-172.2140.5146.200000112.8
458D30.6Very low33.6Very low136 Ų136135.1 Ų135.173%0.72781%0.809SS**  trans-89.6153173.2-57-92.7000113.2
459L35.1Very low34.8Very low172 Ų172130.4 Ų130.490%0.90180%0.799SS**  trans-157.593.7135.5-140.572000114.7
460F32.9Very low34.9Very low180 Ų180131.4 Ų131.479%0.78979%0.793SS**  trans21.3136151.8-71.4-88.9000124.4
461N36.4Very low35.1Very low136 Ų136131.7 Ų131.773%0.72779%0.789SS**  trans-50.3160.4164.3-60.8-48.4000115.6
462N29.5Very low35.4Very low158 Ų158134.5 Ų134.585%0.84579%0.791SS**  -173.9139.5103.4-92.1-39.2000115.4
463T34.9Very low35.7Very low128 Ų128133.8 Ų133.879%0.78579%0.792SS**  trans-100.3179151.1520000107.8
464P48.9Very low36Very low111 Ų111130.2 Ų130.272%0.72179%0.791SS**  cis-134.7-173.64.643.7-27.3000114.7
465T31.6Very low36.2Very low150 Ų150132.4 Ų132.492%0.9280%0.798SS**  trans-169.8168.9141.89.60000111.7
466N35.1Very low36.2Very low148 Ų148130.9 Ų130.979%0.79180%0.8SS**  trans-147.3118.2-169.1170.421.5000111.3
467V30Very low35.3Very low138 Ų138131.7 Ų131.784%0.83680%0.797SS**  trans-154138.6171.2-167.80000112.1
468V36.6Very low35.5Very low125 Ų125135.5 Ų135.576%0.75880%0.803SS**  trans-155.5155.4172171.30000106.7
469P60.1Low35.6Very low110 Ų110137 Ų13771%0.71481%0.806SS**  cis-123.4-178-10.436.2-19.4000114.6
470S31.9Very low35.5Very low104 Ų104137.4 Ų137.473%0.72781%0.808SS**  164.5120.7120.8-73.30000117.2
471S34.5Very low35.5Very low104 Ų104132.2 Ų132.273%0.72781%0.805SS**  58.6129.8127-54.60000126.7
472M35Very low35.9Very low180 Ų180131.8 Ų131.889%0.88781%0.81SS**  88.6151.2126.983.7-177.5-76.200125.4
473A34.6Very low36.6Very low92 Ų92130.3 Ų130.376%0.7681%0.809SS**  trans73.8148.5168.600000118.7
474A34.9Very low36.4Very low97 Ų97128.4 Ų128.480%0.80281%0.806SS**  cis-164.2174.5-22.500000110
475L32.6Very low35.6Very low179 Ų179129.6 Ų129.694%0.93781%0.812SS**  trans-66.4143.5176.1-75.194.7000113
476G32.2Very low35.4Very low82 Ų82127.4 Ų127.485%0.84580%0.802SS**  trans-145112165.100000110.2
477N32.6Very low35.3Very low137 Ų137127.1 Ų127.173%0.73381%0.805SS**  trans-112.9120.9-169-171.516.6000111.3
478L35.9Very low36Very low179 Ų179126.1 Ų126.194%0.93780%0.802SS**  trans-139.6141.2167.3-80.7179.5000110.1
479Q31.5Very low35.7Very low167 Ų167124.9 Ų124.978%0.7881%0.805SS**  trans-137.3121.3-154.2177-174.67.400112.1
480L33.9Very low34.3Very low181 Ų181128.6 Ų128.695%0.94882%0.815SS**  trans-145.2138.4157.5-71.2178.8000108.9
481G32.1Very low34.3Very low71 Ų71127.1 Ų127.173%0.73282%0.816SS**  trans-121-157.5172.800000111.1
482P45.4Very low34Very low126 Ų126128.7 Ų128.782%0.81882%0.821SS**  cis-125.6171.6-1.740.9-27.1000114.3
483P45.1Very low33.7Very low128 Ų128132.5 Ų132.583%0.83183%0.826SS**  trans-98168.6175.938.7-35000113.7
484A30.5Very low33.5Very low87 Ų87131.2 Ų131.272%0.71982%0.821SS**  trans-147.9127.4169.900000113.5
485T31Very low33.2Very low137 Ų137132.4 Ų132.484%0.8482%0.824SS**  trans50.6142.6149.851.90000121.5
486S28.4Very low33.4Very low104 Ų104129.5 Ų129.573%0.72782%0.819SS**  cis-168.9166.7-10.148.60000110.1
487V33.1Very low34Very low141 Ų141131.2 Ų131.286%0.85581%0.814SS**  trans-133.7132.2174.6-170.60000110.5
488P43.5Very low34.2Very low117 Ų117129.2 Ų129.276%0.7682%0.817SS**  trans-143.9166.8135.833.7-17.4000112.6
489A31.3Very low34.5Very low99 Ų99126.9 Ų126.982%0.81881%0.813SS**  cis-165.8-174.6-20.300000109.5
490M29.6Very low34.5Very low189 Ų189123 Ų12393%0.93181%0.81SS**  trans-55147.9-176.9-132.274.171.800116.1
491G31.5Very low34.3Very low73 Ų73120.2 Ų120.275%0.75380%0.8SS**  trans179.566.2173.500000120.9
492V29.6Very low34.1Very low136 Ų136122.7 Ų122.782%0.82479%0.794SS**  trans22.2134.5150.4-159.10000122.8
493W28.6Very low33.6Very low261 Ų261125.6 Ų125.699%0.98979%0.79SS**  trans77.7148155-105.515.6000121.4
494G29.4Very low32.8Very low65 Ų65127.4 Ų127.467%0.6779%0.787SS**  trans125.791148.700000119.1
495S30.3Very low32.8Very low121 Ų121131.4 Ų131.485%0.84679%0.793SS**  trans38.5136.7144.350.90000123.2
496S36.4Very low33.4Very low119 Ų119130.5 Ų130.583%0.83279%0.789SS**  trans-70.4142.8171177.30000114.2
497P44.3Very low33.5Very low117 Ų117129.1 Ų129.176%0.7679%0.791SS**  trans-109.7139.2161.836.3-26.9000113.2
498A37.1Very low33.4Very low95 Ų95130.5 Ų130.579%0.78579%0.792SS**  trans-101.1138.5156.800000109
499P42.5Very low32.8Very low130 Ų130129.3 Ų129.384%0.84479%0.792SS**  trans-81.4147.9-178.432.4-34.7000112.6
500A31.1Very low32.9Very low87 Ų87129.2 Ų129.272%0.71979%0.792SS**  trans-145.7128.6172.400000112.2
501T29.6Very low33.5Very low121 Ų121126.3 Ų126.374%0.74279%0.787SS**  trans-153.4115.1172.60.90000105.5
502M28.1Very low33.5Very low123 Ų123126.5 Ų126.561%0.60679%0.788SS**  63.3132.557.7-51.1-176.2-66.200111.3
503Y33.6Very low34.1Very low188 Ų188126.2 Ų126.274%0.73779%0.79SS**  cis-140.2148.219-72.8-86.6000110.6
504H28.1Very low34.4Very low166 Ų166124.9 Ų124.977%0.76978%0.784SS**  71.9115.464.6-102.196.5000116.7
505M31.2Very low35.4Very low171 Ų171127.2 Ų127.284%0.84279%0.787SS**  trans-169.9163.5144.7-94.8-48.595.300109.7
506P44.3Very low35.4Very low118 Ų118126.8 Ų126.877%0.76678%0.776SS**  trans-116.2169.7-143.238.5-25.2000116
507G29.7Very low35.1Very low75 Ų75129.3 Ų129.377%0.77377%0.772SS**  trans-104.8-175-171.400000116.8
508I31.9Very low34.5Very low169 Ų169130 Ų13087%0.86777%0.774SS**  trans-140.4137.3-178.4-94.2171.5000111.7
509A30.3Very low34.4Very low92 Ų92133.4 Ų133.476%0.7677%0.774SS**  trans37.3128.9154.200000124.7
510A33.1Very low34.7Very low98 Ų98132.5 Ų132.581%0.8177%0.768SS**  trans85.8153.8133.400000121.9
511P43.7Very low34.9Very low128 Ų128132.3 Ų132.383%0.83177%0.766SS**  trans-135.2149.9-15838.5-18.2000119
512G30.4Very low35.6Very low76 Ų76131.5 Ų131.578%0.78476%0.763SS**  trans82.9-176.2158.700000117
513P42.3Very low35.6Very low131 Ų131135 Ų13585%0.85178%0.775SS**  cis-126.8-157.7-1.942.4-26.2000114.4
514R35.4Very low35.1Very low233 Ų233130.7 Ų130.788%0.87978%0.778SS**  trans-88.7-157.7179.6-42.8176.6-178.3163.6-1109.8
515P50.7Low35.4Very low113 Ų113128.8 Ų128.873%0.73478%0.778SS**  cis-128.3-150.6-1.834-6.9000111.3
516N30.1Very low35.5Very low113 Ų113126.8 Ų126.860%0.60478%0.777SS**  cis-161175.29.3-155.110.1000113.6
517F30.2Very low34.7Very low172 Ų172129 Ų12975%0.75478%0.779SS**  trans68.9163.8165.8-59.3-57000116
518V30.9Very low35.2Very low132 Ų132132.3 Ų132.380%0.878%0.775SS**  cis-119.4-169.92.2-141.60000112.2
519Q35.5Very low35.7Very low166 Ų166129.7 Ų129.778%0.77677%0.769SS**  trans-159.9176.2-165.2-84.3-75.6-19.900107.7
520P48.8Very low36.5Very low111 Ų111130.3 Ų130.372%0.72177%0.765SS**  cis-131.9-169.8-8.632.9-10.7000113.9
521A34.2Very low36.4Very low82 Ų82129.2 Ų129.268%0.67876%0.756SS**  trans-81.8-174.2153.900000110
522P44.7Very low35.8Very low104 Ų104135.4 Ų135.468%0.67576%0.763SS**  cis-143.6-155.510.633.4-6.1000115
523F27.6Very low36Very low198 Ų198135.3 Ų135.387%0.86876%0.762SS**  trans85.5133.6163-73.6-72000122.1
524A24.4Very low36.2Very low96 Ų96134.9 Ų134.979%0.79376%0.759SS**  trans75.5158.2140.500000121.4
525V34.1Very low36.2Very low126 Ų126131.6 Ų131.676%0.76475%0.754SS**  trans-124.6144.9-171.6179.10000108.6M527V525-M527 HydrophobicContact CG1-CB 4.41Å
526P33.4Very low35.3Very low129 Ų129132.2 Ų132.284%0.83876%0.755SS**  trans-109.2152.115135.5-28.6000111.5
527M27Very low35.5Very low164 Ų164130.8 Ų130.881%0.80876%0.759SS**  trans-148.5137-156.9170.9177.3163.500112.8V525V525-M527 HydrophobicContact CG1-CB 4.41Å
528Q40.8Very low36.1Very low145 Ų145127.7 Ų127.768%0.67876%0.756SS**  trans68.2159.4164.4-73.2-66.2-52.700115
529P41.9Very low36Very low115 Ų115128.3 Ų128.375%0.74775%0.75SS**  cis-138-173.444.639.8-18.6000116
530P47.6Very low35.7Very low105 Ų105129.9 Ų129.968%0.68276%0.755SS**  cis-139.5175.9-4739.9-24.5000115.8
531A30.8Very low34.7Very low74 Ų74129.2 Ų129.261%0.61275%0.753SS**  trans96.5111.5135.800000124.3
532W30.3Very low34.7Very low259 Ų259130.7 Ų130.798%0.98176%0.758SS**  trans83.9149.3135.7-6528.4000119.9
533G35.8Very low34.2Very low73 Ų73131.6 Ų131.675%0.75376%0.764SS**  trans-109.4-150.5-171.600000113.9
534P45.3Very low35.1Very low122 Ų122128 Ų12879%0.79276%0.761SS**  cis-112.8167.212.238.7-24000114
535Q36.2Very low35.5Very low165 Ų165131.7 Ų131.777%0.77177%0.766SS**  40.6128.378.4-60.2-80.2-13.400113.1
536V31.3Very low35.5Very low126 Ų126131.1 Ų131.176%0.76477%0.768SS**  cis-144.5142.929.8-790000110.5
537A35Very low36.7Very low83 Ų83130.7 Ų130.769%0.68677%0.765SS**  69.3158.379.400000115.1
538P42.3Very low38.2Very low107 Ų107127.7 Ų127.770%0.69576%0.758SS**  cis-136.7157.52.839.1-20.9000117.6
539Q28.8Very low37.7Very low144 Ų144128.8 Ų128.867%0.67376%0.762SS**  trans53.4147.1136.3-55.5-64.9-47.300120.4
540F29.3Very low37.4Very low199 Ų199130.1 Ų130.187%0.87376%0.763SS**  cis-146157.342.3-98.8-89.3000115.1
541S27.9Very low36.4Very low98 Ų98133 Ų13369%0.68577%0.767SS**  trans-110174.9179.6560000114.2
542S34Very low36.2Very low113 Ų113141 Ų14179%0.7978%0.782SS**  trans-67.4160.3-171.5-46.90000116.5
543P34.6Very low36.1Very low122 Ų122132.4 Ų132.479%0.79277%0.765SS**  trans-80.2158175.433.2-36.7000114.4
544P46Very low36.5Very low124 Ų124138 Ų13881%0.80577%0.772SS**  trans-100.3-165.9-17640.5-37.4000115.3
545L33Very low36.2Very low173 Ų173138 Ų13891%0.90677%0.772SS**  trans-99.6171.5-165.8-62.483.9000115.2
546S33.9Very low35.9Very low113 Ų113134.8 Ų134.879%0.7977%0.774SS**  trans-84.5-168.9174.5-29.80000113
547P59.5Low36.8Very low120 Ų120134.9 Ų134.978%0.77978%0.777SS**  cis-126.1-122.4-12.937.6-15.7000110.4
548P58.2Low36.6Very low102 Ų102136.1 Ų136.166%0.66278%0.781SS**  cis-127.5175.1-47.838.3-22000115.5
549H29.8Very low36.3Very low167 Ų167138.9 Ų138.977%0.77379%0.789SS**  158.9139.7113.477.4-73.7000117
550L34.9Very low36.7Very low143 Ų143137.9 Ų137.975%0.74980%0.795SS**  trans50.8135149.4-65.5170000126.6
551Q27.2Very low36.7Very low166 Ų166137 Ų13778%0.77679%0.792SS**  trans83.1109139.5-81.2177.9-77.200125.5
552W26.9Very low37.1Very low242 Ų242139 Ų13992%0.91779%0.79SS**  81.2159.6123.5-154.9-98.5000121.9
553A27.8Very low36.9Very low78 Ų78139.5 Ų139.565%0.64579%0.788SS**  trans70.9124.817500000119.6
554Q45.5Very low36.8Very low191 Ų191142.3 Ų142.389%0.89379%0.793SS**  trans-92.2140.5160.9-64.5-92.4-62.900109.2
555P37.6Very low36.1Very low123 Ų123139.9 Ų139.980%0.79979%0.791SS**  trans-99.5149.3164.635.2-30000112.7
556A29.7Very low36.1Very low96 Ų96138.2 Ų138.279%0.79378%0.783SS**  trans-107.6-168.8174.600000110
557P50.9Low36.1Very low128 Ų128141.1 Ų141.183%0.83178%0.784SS**  trans-88167.7-159.237-38.9000115.4
558S30Very low34.8Very low110 Ų110138.9 Ų138.977%0.76978%0.783SS**  trans-140114165.160.30000111.9
559N35.9Very low34.1Very low164 Ų164140.7 Ų140.788%0.87780%0.795SS**  trans-69.4155161.1-79.5-6.7000110.2
560P37.3Very low34.2Very low123 Ų123138.4 Ų138.480%0.79980%0.798SS**  trans-126.4142.813535.3-27.3000111.9
561F30.6Very low34.3Very low181 Ų181142.9 Ų142.979%0.79481%0.805SS**  trans-127.6137168.3-160.6-112.7000107.8
562Q35.3Very low34.9Very low141 Ų141140.1 Ų140.166%0.65980%0.801SS**  trans67.5135-169-42.3-59.30.900113.8
563T30.9Very low35.7Very low122 Ų122134.1 Ų134.175%0.74879%0.793SS**  cis-151.4141.943.1-73.80000113.5
564M32.5Very low36.2Very low181 Ų181136.7 Ų136.789%0.89280%0.803SS**  trans69.2114.5160-165.7178.8-61.300118.5
565G31.8Very low35.7Very low74 Ų74139 Ų13976%0.76380%0.804SS**  trans153.461.8167.500000118.7
566D32.8Very low35.6Very low137 Ų137138.2 Ų138.273%0.73380%0.799SS**  trans50.8114.1153.2-141.250.3000123.2
567Q33.1Very low36.1Very low174 Ų174140 Ų14081%0.81380%0.802SS**  trans52.7118.3143-65.3178.97500123.3
568G33.2Very low35.2Very low74 Ų74138.8 Ų138.876%0.76380%0.803SS**  trans152.9122.8157.200000115.1
569P41.6Very low35.5Very low139 Ų139143.1 Ų143.190%0.90381%0.808SS**PPolyproline II helixtrans-85.1155.7-170.732.8-35.7000116
570S32.7Very low35.2Very low120 Ų120144.5 Ų144.584%0.83981%0.809SS**PPolyproline II helixtrans-92.8149.7-167.855.70000116.5
571R38Very low34.9Very low237 Ų237144.8 Ų144.889%0.89481%0.809SS**PPolyproline II helixtrans-84.9139.3172.9178.7-175.5178.6-167.81.6112.2
572P39.5Very low35.5Very low108 Ų108142 Ų14270%0.70181%0.809SS**PPolyproline II helixtrans-83.3157-179.333-36.1000114.6
573P43.7Very low35.1Very low115 Ų115139.8 Ų139.875%0.74781%0.814SS**PPolyproline II helixtrans-84.7166.117635.1-35.9000113.8
574P36.9Very low35.1Very low132 Ų132144 Ų14486%0.85782%0.817SS**PPolyproline II helixtrans-78159.4-175.632.3-36.8000114.5
575R35.1Very low35.4Very low240 Ų240140.8 Ų140.891%0.90681%0.807SS**  trans-115136.7-173.4-164.9-176.8-168.71784.4112.2
576P37.3Very low35.9Very low106 Ų106144 Ų14469%0.68880%0.802SS**  trans-77.3163.3171.432.7-35.2000112.5
577P39.3Very low36.2Very low135 Ų135144.2 Ų144.288%0.87780%0.803SS**  trans-79.5153.6-172.832.5-36.5000114
578A31.8Very low37Very low102 Ų102141.4 Ų141.484%0.84380%0.803SS**  trans-128.8151.6171.800000110.5
579K36.9Very low37.7Very low201 Ų201142.3 Ų142.387%0.87480%0.803SS**  trans-94.8139.9174.3-63.7175.7175.8179.60109.9
580E28.9Very low37.5Very low192 Ų192145 Ų14590%0.89780%0.801SS**  trans-166.3158.5139.8-117.2173.7156.200112.8
581T30.5Very low38.3Very low129 Ų129145.8 Ų145.879%0.79180%0.801SS**  trans-158.2170.5-179.851.10000107.8
582P43.5Very low38.8Very low124 Ų124138.6 Ų138.681%0.80579%0.792SS**  cis-118.1-143.3-5.445.1-30.5000109.4
583A28.2Very low39.1Very low93 Ų93141.3 Ų141.377%0.76980%0.8SS**  cis-156.8142.4-8.200000110
584R28.9Very low39Very low212 Ų212141.3 Ų141.380%0.879%0.793SS**  trans-160.5139.2137.8-175.7164.4165.9132.7-6.6109.6E586R584-E586 HydrophobicContact CG-CG 4.49Å; R584-E586 IonicContact CZ-OE1 3.17Å; R584-E586 IonicContact NE-OE1 2.78Å; R584-E586 PolarHBondContact NE-OE1 2.92Å; R584-E586 IonicContact NH2-OE1 2.71Å; R584-E586 PolarHBondContact NH2-OE1 3.38Å
585V40.8Very low39.7Very low113 Ų113141.1 Ų141.169%0.68579%0.792SS**  trans-100126.5176.2170.70000109.1N587V585-N587 WeakPolarHBondContact CG1-OD1 3.46Å
586E40.3Very low40.5Very low142 Ų142137.2 Ų137.266%0.66479%0.789SS**  trans-135.6136.3162.6-65-167.917700109.2R584R584-E586 HydrophobicContact CG-CG 4.49Å; R584-E586 IonicContact CZ-OE1 3.17Å; R584-E586 IonicContact NE-OE1 2.78Å; R584-E586 PolarHBondContact NE-OE1 2.92Å; R584-E586 IonicContact NH2-OE1 2.71Å; R584-E586 PolarHBondContact NH2-OE1 3.38Å
587N40.6Very low40.4Very low140 Ų140135 Ų13575%0.74979%0.785SS**  trans-109.8101.1-157.7-47-70.9000111.7V585V585-N587 WeakPolarHBondContact CG1-OD1 3.46Å
588S48.9Very low40.7Very low115 Ų115135.3 Ų135.380%0.80478%0.779SS**  trans-17695.7155.1-84.70000110.9
589A47.9Very low41.5Very low93 Ų93138.8 Ų138.877%0.76978%0.776SS**  trans-131.617.2178.700000113.6
590F38.4Very low42.3Very low196 Ų196135.9 Ų135.986%0.8677%0.765SS**SBendtrans-123.419.4-177.4-105.2-81.8000114.3
591T48.5Very low43.8Very low137 Ų137136.7 Ų136.784%0.8477%0.765SS**SBendtrans-111.525.3174.4-350000111.5
592A48.6Very low44.9Very low86 Ų86138.6 Ų138.671%0.71176%0.763SS**SBendtrans-120.4-5.7-176.700000113.9
593L46.8Very low45.3Very low164 Ų164139 Ų13986%0.85976%0.757SS**  trans-144.161-179.9-71.3177.7000111.1
594D40.7Very low46.2Very low115 Ų115137.2 Ų137.262%0.61575%0.748SS**  trans-106.4112.9157.1178.3-0.3000107.9L596D594-L596 PolarHBondContact O-N 3.29Å; D594-L596 PolarHBondContact OD1-N 2.93Å
595P51.3Low47.5Very low129 Ų129135.2 Ų135.284%0.83875%0.745SS**THydrogen-bonded Turntrans-80.25.3-178.734.2-35.7000114.3
596L51.4Low48.3Very low158 Ų158135 Ų13583%0.82774%0.74SS**THydrogen-bonded Turntrans-126.624.1179.1-136.873.3000114.9D594 D598D594-L596 PolarHBondContact O-N 3.29Å; D594-L596 PolarHBondContact OD1-N 2.93Å; L596-D598 PolarHBondContact O-N 3.37Å
597G35.3Very low49Very low60 Ų60135.9 Ų135.962%0.61975%0.746SS**  trans-76.198.6171.400000113.5
598D46.5Very low49.9Very low140 Ų140138 Ų13875%0.74975%0.749SS**  trans-49.1132.8176.4-108.7-43.7000114.4L596L596-D598 PolarHBondContact O-N 3.37Å
599K48.3Very low50.4Low176 Ų176139.2 Ų139.277%0.76574%0.74SS**  trans179151.5132.1-92.6151.5-143.684.30114
600E54.6Low50.6Low139 Ų139141.8 Ų141.865%0.6574%0.741SS**  trans47.9100.6159.465.9-173.2106.200121.4K602E600-K602 PolarHBondContact O-N 3.23Å; E600-K602 VanDerWaalsContact O-N 3.15Å; E600-K602 IonicContact OE2-NZ 2.66Å; E600-K602 PolarHBondContact OE2-NZ 3.39Å
601K58.8Low51.1Low209 Ų209141.6 Ų141.691%0.90974%0.74SS**  trans-62.5108.2164.1-62.9177.9-179.8-179.50111.3
602K54.7Low51.3Low170 Ų170143.9 Ų143.974%0.73974%0.741SS**  trans-98.5132.3166.9-81.8-173.8168.794.80111.7E600E600-K602 PolarHBondContact O-N 3.23Å; E600-K602 VanDerWaalsContact O-N 3.15Å; E600-K602 IonicContact OE2-NZ 2.66Å; E600-K602 PolarHBondContact OE2-NZ 3.39Å
603I51.5Low51.7Low131 Ų131148 Ų14867%0.67275%0.75SS**  trans-67.1137.3-172.8-8963000111.3K605I603-K605 HydrophobicContact CG2-CB 3.55Å; I603-K605 PolarHBondContact O-N 3.45Å
604G48.1Very low51.5Low57 Ų57144.8 Ų144.859%0.58875%0.747SS**THydrogen-bonded Turntrans-66.918.6-178.300000117
605K56.4Low51.6Low169 Ų169149 Ų14974%0.73576%0.76SS**THydrogen-bonded Turntrans-91.6-16-173.6-160.9165.8-174.6171.20114.1I603I603-K605 HydrophobicContact CG2-CB 3.55Å; I603-K605 PolarHBondContact O-N 3.45Å
606D55.8Low51.4Low110 Ų110148.3 Ų148.359%0.58876%0.756SS**SBendtrans-96.4-23.1178.4-80.2-40.1000114.7F608 K609D606-F608 PolarHBondContact O-N 2.92Å; D606-F608 VanDerWaalsContact O-N 3.17Å; D606-K609 PolarHBondContact O-N 3.37Å; D606-K609 IonicContact OD1-NZ 2.64Å; D606-K609 PolarHBondContact OD1-NZ 3.06Å
607M56.9Low50.7Low159 Ų159147 Ų14778%0.78376%0.757SS**G310 helixtrans-65.2-21-180-66.8-165-70.800113.8K609M607-K609 PolarHBondContact O-N 2.82Å
608F58.1Low50.7Low186 Ų186148.9 Ų148.982%0.81677%0.766SS**G310 helixtrans-85-3-174.4-127.2-89.5000115.3D606D606-F608 PolarHBondContact O-N 2.92Å; D606-F608 VanDerWaalsContact O-N 3.17Å
609K60.5Low50.1Low139 Ų139150.3 Ų150.360%0.60477%0.772SS**G310 helixtrans-83.3-18.5-176.8-71.6174.7-175.7154.90114.6D606 M607 F611D606-K609 PolarHBondContact O-N 3.37Å; D606-K609 IonicContact OD1-NZ 2.64Å; D606-K609 PolarHBondContact OD1-NZ 3.06Å; M607-K609 PolarHBondContact O-N 2.82Å; K609-F611 VanDerWaalsContact C-N 3.34Å; K609-F611 PolarHBondContact O-N 3.09Å
610N51.2Low49.8Very low147 Ų147147.9 Ų147.979%0.78678%0.775SS**G310 helixtrans-85.55.7-170.2-70.9-7.1000115.3
611F50.1Low48.7Very low193 Ų193146.1 Ų146.185%0.84678%0.784SS**G310 helixtrans-95.15.7-176.7-109.9-81.6000115.8K609 L613K609-F611 VanDerWaalsContact C-N 3.34Å; K609-F611 PolarHBondContact O-N 3.09Å; F611-L613 PolarHBondContact O-N 3.27Å
612Q52.8Low47.7Very low185 Ų185147.8 Ų147.886%0.86478%0.784SS**  trans-98.550.4-180-64.9-171.226.500113.9
613L55.5Low46.7Very low172 Ų172149.8 Ų149.890%0.90179%0.793SS**  trans-153.254.5174.6-118.7163.6000115F611F611-L613 PolarHBondContact O-N 3.27Å
614A42.1Very low45.9Very low97 Ų97147 Ų14780%0.80280%0.797SS**  trans-134.6100168.500000111.2
615K44.3Very low45.1Very low203 Ų203153.7 Ų153.788%0.88381%0.813SS**PPolyproline II helixtrans-81.3127.1172.8-77.7176175172.40110
616P47.2Very low44Very low115 Ų115152.7 Ų152.775%0.74782%0.82SS**PPolyproline II helixtrans-70.6149.816430.5-33.1000110.6
617P36.5Very low42.8Very low131 Ų131151.3 Ų151.385%0.85182%0.824SS**PPolyproline II helixtrans-71.1149.417530.4-34.8000111.5
618A34.6Very low41.7Very low99 Ų99149.4 Ų149.482%0.81883%0.827SS**PPolyproline II helixtrans-98.5142.5-172.400000113.7
619I35.1Very low40.3Very low169 Ų169145.7 Ų145.787%0.86782%0.824SS**  trans-131.9139163.4-64.6-177.4000106.7
620P41Very low38.8Very low126 Ų126143.6 Ų143.682%0.81883%0.832SS**  trans-103.1140.5-145.636.5-34.5000116.5
621A32.3Very low37.6Very low102 Ų102141.2 Ų141.284%0.84383%0.834SS**  trans-144.1122.7160.300000112.5
622R36.7Very low36.6Very low244 Ų244136.4 Ų136.492%0.92183%0.829SS**  trans-19.7130.1172.4-64.4172.6170.498.7-0.4119.1
623K34.3Very low36.1Very low211 Ų211132.7 Ų132.792%0.91782%0.821SS**  41.7116.3122.4-174.2-170-178.4-172.80117.3
624G33.9Very low34.9Very low74 Ų74130.7 Ų130.776%0.76382%0.816SS**  cis145.6150.91.400000111
625E31.5Very low34.4Very low197 Ų197132 Ų13292%0.92181%0.814SS**  trans-143.4176.5-175.6-138.5-179.1131.300114
626V32.7Very low33.8Very low147 Ų147130.4 Ų130.489%0.89181%0.807SS**  trans-91.7162.1-165.9-176.70000111.8
627A32.3Very low33.2Very low81 Ų81132.3 Ų132.367%0.66981%0.806SS**  trans-105.9173.5-169.600000114.7
628S33.9Very low33.1Very low119 Ų119132.6 Ų132.683%0.83281%0.811SS**  trans79.8152.9157.9-630000118.4
629S27.6Very low33.1Very low108 Ų108131.8 Ų131.876%0.75581%0.813SS**  cis-175.2162.6-23-173.50000109.6
630A28.4Very low33.2Very low95 Ų95127.4 Ų127.479%0.78580%0.802SS**  trans64.9158.4159.300000117.9
631A27.2Very low33Very low98 Ų98130 Ų13081%0.8180%0.8SS**  cis-157.7172.8-22.200000110.1
632A29.5Very low33.5Very low92 Ų92132.3 Ų132.376%0.7680%0.799SS**  trans-81.8-179.2175.900000111.6
633P42.1Very low33.9Very low107 Ų107126.9 Ų126.970%0.69578%0.784SS**  cis-152.3176.218.743.3-21.2000121.2
634T29.8Very low34.3Very low130 Ų130126.6 Ų126.680%0.79878%0.778SS**  trans75.7146.8144.946.30000124.3
635V31.5Very low35.1Very low123 Ų123132.6 Ų132.675%0.74578%0.784SS**  trans101.894.9155.8-165.60000119.3
636K32.1Very low36.1Very low170 Ų170127.6 Ų127.674%0.73977%0.771SS**  trans72.8157.3141.4-77.3172.1144.5-1220123.8
637E33.4Very low36.3Very low156 Ų156126.4 Ų126.473%0.72976%0.759SS**  trans60.7100.6156.4-78.3135.2-130.600119.2
638S34.8Very low36.8Very low136 Ų136132.4 Ų132.495%0.95177%0.77SS**  trans-95.3114.3163.5-55.20000109.4
639G34.1Very low37.1Very low83 Ų83133.5 Ų133.586%0.85677%0.771SS**  trans-164.723.2-172.600000115.9
640A37.4Very low37.4Very low77 Ų77131.4 Ų131.464%0.63677%0.767SS**  trans-158.5123.1170.800000110.9
641F36.5Very low37.7Very low179 Ų179134 Ų13479%0.78577%0.773SS**SBendtrans-137.9-23.3162.2-159.7-101.4000112.7E643F641-E643 PolarHBondContact O-N 3.17Å
642D43.8Very low38.1Very low152 Ų152133.4 Ų133.481%0.81377%0.768SS**G310 helixtrans-70.1-11.3174.8-61.1-81.3000115
643E46.1Very low38.4Very low130 Ų130136 Ų13661%0.60776%0.764SS**G310 helixtrans-83.8-14-176.9-158.4166.6-165.100113.6F641 F645 S646F641-E643 PolarHBondContact O-N 3.17Å; E643-F645 VanDerWaalsContact C-N 3.26Å; E643-F645 PolarHBondContact O-N 2.71Å; E643-S646 PolarHBondContact O-N 2.78Å
644Y42.6Very low37.8Very low205 Ų205138.9 Ų138.980%0.80477%0.768SS**G310 helixtrans-75.5-6.1-172-140.5-91.4000115.5
645F49.8Very low38.2Very low200 Ų200136.7 Ų136.788%0.87776%0.764SS**G310 helixtrans-118.2-2.1174.7-77.6-80.7000114E643E643-F645 VanDerWaalsContact C-N 3.26Å; E643-F645 PolarHBondContact O-N 2.71Å
646S52.7Low38.7Very low92 Ų92135.4 Ų135.464%0.64377%0.766SS**SBendtrans-122.89.3-159.4-570000115.1E643E643-S646 PolarHBondContact O-N 2.78Å
647N37.4Very low39.2Very low122 Ų122134.3 Ų134.365%0.65277%0.768SS**  trans-153.882173.9-141-15.1000117.1
648K42.6Very low40Very low206 Ų206133.7 Ų133.790%0.89677%0.765SS**  trans-163107.2131.8-117.8175.2-176.6178.10114.1
649V39.8Very low40.6Very low142 Ų142133.5 Ų133.586%0.86175%0.753SS**  trans-86.4150159.9-84.30000110.7
650G33.7Very low40.9Very low65 Ų65136.2 Ų136.267%0.6775%0.748SS**  trans143.1117152.600000118.2
651V35.4Very low41.2Very low150 Ų150142.4 Ų142.491%0.90976%0.761SS**  trans56.1127.5132.9-1740000118.8
652A36Very low41.3Very low84 Ų84140.4 Ų140.469%0.69476%0.758SS**  cis-162.6-136.7-13.600000106.9
653Q33.9Very low41.1Very low148 Ų148139.5 Ų139.569%0.69275%0.752SS**  cis-169.4136.82.7-179.846.327.600110.6
654E30.7Very low40.6Very low167 Ų167138.4 Ų138.478%0.7876%0.759SS**  trans62.1151.9163.4-117153137.600118.9
655A38.4Very low40.1Very low84 Ų84138.9 Ų138.969%0.69476%0.759SS**  cis-150.8169.75.100000112
656A41.3Very low39.2Very low96 Ų96136.8 Ų136.879%0.79375%0.754SS**  trans69.5148.6167.400000117.5
657D42.8Very low38.3Very low146 Ų146137.9 Ų137.978%0.78176%0.762SS**  cis-149.9165.5-2.6-137.817.5000114.1
658H49.8Very low38Very low144 Ų144137 Ų13767%0.66777%0.765SS**  trans-23.6135.6-177.8-77.7-84.7000124.6
659D46.8Very low37.5Very low132 Ų132135.6 Ų135.671%0.70677%0.767SS**  74.8158.6124.4-58.7-12000126
660D42.3Very low37Very low139 Ų139132.2 Ų132.274%0.74375%0.753SS**  trans60.2103.6166.9-67.6-18.7000120.7
661F42.6Very low36.8Very low208 Ų208135.7 Ų135.791%0.91276%0.756SS**  -168.2120.291.6-109-73.7000112.3
662D39.6Very low36.6Very low137 Ų137134.9 Ų134.973%0.73375%0.747SS**  trans-103.6124.2-169.3-147.629.9000113.9
663I39.3Very low36.3Very low132 Ų132137.5 Ų137.568%0.67775%0.75SS**  trans56.5150.4130.2-79.5179.1000122.9
664S34.7Very low36.2Very low107 Ų107134.6 Ų134.675%0.74875%0.751SS**  trans79.5161.8157.978.60000118.8
665R32.5Very low36.2Very low215 Ų215131.3 Ų131.381%0.81175%0.752SS**  cis-165.5152.7-49.7-111.8-175.8178-155.61.2106.3
666M31.6Very low35.9Very low156 Ų156135.7 Ų135.777%0.76876%0.755SS**  trans13.5122152.7-43.5-178.6-45.700119.2
667S32.5Very low35.3Very low115 Ų115138.6 Ų138.680%0.80475%0.752SS**  -179.3146.8104.3-166.50000112.9
668S31.3Very low34.7Very low104 Ų104138 Ų13873%0.72775%0.754SS**  trans-71.2146.2156.950.10000112
669L31.8Very low34.2Very low177 Ų177136.2 Ų136.293%0.92776%0.755SS**  -170.3161.7123.4-163.851.4000111.9
670A29.7Very low33.3Very low70 Ų70135.6 Ų135.658%0.57976%0.756SS**  trans-87.6166.7-157.300000119.1
671N28.8Very low32.7Very low138 Ų138137 Ų13774%0.73876%0.758SS**  trans81.3129.8136.2-73.13.5000124.8
672N32.1Very low32.2Very low134 Ų134133.3 Ų133.372%0.71775%0.752SS**  trans72.5153.2140.2-60.36.2000119.4
673D29.5Very low32.2Very low139 Ų139132.3 Ų132.374%0.74375%0.753SS**  cis-151.2172.16-142.7-54.1000112.9
674A33Very low31.9Very low87 Ų87130.1 Ų130.172%0.71976%0.755SS**  trans68135.8156.300000120
675A30.7Very low32Very low97 Ų97133.9 Ų133.980%0.80276%0.761SS**  cis-161.6162.5-2.100000115
676K31.6Very low31.9Very low176 Ų176129.1 Ų129.177%0.76576%0.761SS**  trans10396.2136.7-151.3169.8-176.7178.40121.5
677Q29.3Very low31.6Very low157 Ų157129.8 Ų129.873%0.73477%0.766SS**  trans79.7108.6135.4-69.5172.7-25.300123.1
678V30Very low31.7Very low133 Ų133130.5 Ų130.581%0.80677%0.766SS**  57.8137.3118.7177.40000119.7
679P39.2Very low32.3Very low107 Ų107131.6 Ų131.670%0.69577%0.771SS**  cis-127.4151.512.422.31.2000118.3
680V27Very low32Very low120 Ų120126.2 Ų126.273%0.72776%0.758SS**  trans45.594.7137-171.90000117.8
681Q30.6Very low32.1Very low168 Ų168130.6 Ų130.679%0.78577%0.771SS**  82.6133.676-78.7175.8-14.700115
682T30.8Very low32.3Very low130 Ų130131.1 Ų131.180%0.79877%0.773SS**  cis-159.9162.3-8.3-1.10000110.9
683P40.5Very low32Very low116 Ų116132 Ų13275%0.75378%0.778SS**  trans-117.8170.2-178.641.7-30.6000116.1
684A31.9Very low31.9Very low86 Ų86129.6 Ų129.671%0.71178%0.777SS**  trans59.1116.4144.500000123.6
685Q38.4Very low31.8Very low187 Ų187129.2 Ų129.287%0.87477%0.774SS**  trans80.8145.3135-68.4-173.9-0.200123.2
686S28.9Very low31.8Very low115 Ų115134.7 Ų134.780%0.80478%0.78SS**  trans63132.6165.474.10000120.1
687L26.6Very low31.6Very low169 Ų169131.9 Ų131.989%0.88578%0.782SS**  trans178.1129.4140.9-103166.6000112.7
688T33.5Very low31.7Very low131 Ų131130.1 Ų130.180%0.80479%0.787SS**  trans-148.4162.9151.955.10000106.9
689P43.7Very low31.8Very low127 Ų127128.1 Ų128.183%0.82579%0.785SS**  cis-126.7172.9-0.241.1-27.2000115.3
690G27Very low31.8Very low63 Ų63129.1 Ų129.165%0.64979%0.791SS**  trans110.6142.1145.300000119.3
691L31.6Very low32.1Very low163 Ų163129.6 Ų129.685%0.85379%0.794SS**  trans65.3143.5153.9-78.972.2000117.9
692L32Very low32.6Very low149 Ų149127.2 Ų127.278%0.7879%0.793SS**  cis-154.4148.9-3-105.4-178.1000111.6
693D26.5Very low32.5Very low153 Ų153128.2 Ų128.282%0.81879%0.794SS**  trans60.9171.2134-148.719.5000123.4
694A27.7Very low31.9Very low88 Ų88129.3 Ų129.373%0.72779%0.793SS**  trans-86.8158.2-156.900000117.6
695A29.7Very low31.9Very low79 Ų79130 Ų13065%0.65379%0.793SS**  trans-150.8152.4155.600000112.5
696F30.5Very low31.6Very low211 Ų211125 Ų12593%0.92578%0.784SS**  trans84.9120.1171.4-54.5-67.9000119.3
697S27.8Very low31.7Very low118 Ų118128.1 Ų128.183%0.82579%0.786SS**  trans-163.4169.3172.7-172.90000109.6
698S31.7Very low31.9Very low119 Ų119125.9 Ų125.983%0.83278%0.779SS**  trans70.3144.2-173.9-630000115.3
699A31.8Very low31.6Very low91 Ų91127.2 Ų127.275%0.75278%0.78SS**  cis-162.2179.9000000108.4
700P40.8Very low31Very low128 Ų128126.5 Ų126.583%0.83177%0.774SS**  cis-133.5-167.110.442.9-23.6000116.4
701V32.8Very low31.1Very low131 Ų131132.6 Ų132.679%0.79479%0.785SS**  trans-99.6171.8-169.5-142.90000113.3
702P39.8Very low30.9Very low118 Ų118128 Ų12877%0.76678%0.776SS**  -140.9156.4105.338.5-26.4000116.9
703N30Very low30.9Very low150 Ų150131.4 Ų131.480%0.80279%0.785SS**  trans-10.1156.5166.8-57.5-11000120.4
704N28.2Very low31.1Very low140 Ų140127.4 Ų127.475%0.74978%0.781SS**  cis-163.4159.132.5-157.12.7000114.4
705S31.8Very low31.5Very low100 Ų100131.6 Ų131.670%0.69979%0.785SS**  trans43.1139.4150.457.30000122.4
706A31.3Very low31.8Very low83 Ų83134.1 Ų134.169%0.68679%0.788SS**  cis-169.8165.1-6.100000111.8
707Q32Very low32.3Very low180 Ų180133.3 Ų133.384%0.84179%0.789SS**  trans27144.6139.4-62.6175.9-17.200121.3
708T29.4Very low32.8Very low121 Ų121137.5 Ų137.574%0.74279%0.793SS**  cis-174.4170.72.718.60000110.9
709L28.6Very low33Very low159 Ų159139.4 Ų139.483%0.83279%0.794SS**  trans73.7131.6162.3-134.569.3000115.8
710V30.1Very low33.3Very low113 Ų113145 Ų14569%0.68580%0.801SS**  cis115.9122.99.7171.20000113.1
711Q28.9Very low33.3Very low191 Ų191143 Ų14389%0.89380%0.795SS**  trans65.3150.2174.4-70.5168.9-39.800117.8
712G28Very low33.4Very low65 Ų65147.4 Ų147.467%0.6780%0.804SS**  cis161.9157.1-10.800000114.6
713F30.9Very low33Very low221 Ų221145.8 Ų145.897%0.96981%0.809SS**  trans73.4151.6169.9-76.7-88.3000121.8
714G31.7Very low33.1Very low70 Ų70143.3 Ų143.372%0.72281%0.809SS**  trans85.691.7161.100000116.1
715Q36.5Very low33.9Very low176 Ų176141.6 Ų141.682%0.82281%0.806SS**  78.7142.159.1-125.2-171.7-50.800116
716D34.5Very low34.2Very low132 Ų132144.3 Ų144.371%0.70681%0.812SS**  trans64.889.3163.7-48.5-28.2000121
717M41.4Very low34.8Very low193 Ų193146 Ų14695%0.95182%0.816SS**  trans-141.731.8158.1-84-163.4-75.700113.5
718F38.5Very low35.2Very low207 Ų207144.9 Ų144.991%0.90882%0.816SS**  trans-92.3-1.3178.2-146.3-97.6000114.4
719D35.5Very low35.9Very low159 Ų159144.7 Ų144.785%0.8582%0.817SS**  trans-110.179.5177.9-86.8-58.2000112.3
720K38.4Very low35.9Very low209 Ų209147.5 Ų147.591%0.90982%0.823SS**  trans-164.345.5165.2-118.8150.2-168.7162.70115.4
721A41.8Very low35.8Very low85 Ų85145.9 Ų145.970%0.70283%0.829SS**SBendtrans-140.133.8-175.300000116.1
722F34.4Very low36.2Very low224 Ų224143.7 Ų143.798%0.98283%0.828SS**SBendtrans-168.3142.4151.9-96.5-64.7000110.7
723G30.8Very low36.9Very low84 Ų84146.2 Ų146.287%0.86683%0.833SS**  trans108.7128172.700000116.1
724A33Very low36.9Very low97 Ų97143.5 Ų143.580%0.80283%0.825SS**  trans-122.9-172.1171.600000108.4
725P44.1Very low36.8Very low105 Ų105145.6 Ų145.668%0.68282%0.82SS**  cis-133.6161.7-8.940.2-24.2000116
726D37.9Very low36.4Very low157 Ų157142.4 Ų142.484%0.8481%0.812SS**  trans56.6174150-65.1-20.7000119.8
727P43.9Very low36.1Very low118 Ų118142.5 Ų142.577%0.76682%0.817SS**  cis-130-171.20.743.5-26.8000116.5
728N41.5Very low35.5Very low157 Ų157138.5 Ų138.584%0.8480%0.804SS**  trans-59.2161.6-178.9-57.9-59.1000117
729P42.9Very low35Very low117 Ų117137.5 Ų137.576%0.7680%0.802SS**  trans-138.8118.3136.535.4-20.6000115.1
730F30.1Very low34.6Very low218 Ų218134 Ų13496%0.95680%0.795SS**  -174.4112.6121.4-117-81.2000110.7
731G27.3Very low34.1Very low79 Ų79130.1 Ų130.181%0.81479%0.794SS**  trans153.888.4-179.100000113.3
732V37.3Very low33.3Very low144 Ų144129.5 Ų129.587%0.87380%0.796SS**  trans-86.6165175.3-87.80000111.8
733P43.2Very low33.1Very low118 Ų118123.9 Ų123.977%0.76679%0.785SS**  cis-130.7168.17.526.2-2.8000117.6
734M29.8Very low33.1Very low165 Ų165125.3 Ų125.381%0.81378%0.777SS**  trans-8.3154.4145.9-81.7179.6151.700119.6
735N29.3Very low33.3Very low114 Ų114128 Ų12861%0.6178%0.778SS**  cis-160.4147.727.7-140.77000116.9
736T29.3Very low32.8Very low108 Ų108127.9 Ų127.966%0.66378%0.775SS**  trans51.9142.6145.143.50000124.7
737V28.4Very low32.6Very low134 Ų134130.4 Ų130.481%0.81278%0.779SS**  trans76.7147.3149.1162.10000118
738V28Very low32.2Very low109 Ų109127.9 Ų127.966%0.66177%0.774SS**  cis164.6130-39143.60000108.1
739Q27.6Very low32Very low186 Ų186128.3 Ų128.387%0.86978%0.776SS**  trans61.3163.8160.7-80.8177-35.900121.7
740A27.1Very low31.7Very low87 Ų87126.5 Ų126.572%0.71977%0.771SS**  trans93.1111.1149.800000119.8
741S28.5Very low32.2Very low126 Ų126126 Ų12688%0.88177%0.769SS**  47.3118124.1-51.30000121
742G26.1Very low32.9Very low73 Ų73125.4 Ų125.475%0.75376%0.763SS**  131.6121.3122.100000118.5
743S29.1Very low33.2Very low106 Ų106125.3 Ų125.374%0.74176%0.758SS**  trans70.7149135.2-167.30000120.4
744T32Very low33.9Very low113 Ų113124.5 Ų124.569%0.69375%0.753SS**  trans59.6116.1163.938.70000116.5
745D35.3Very low34.6Very low153 Ų153125.9 Ų125.982%0.81876%0.755SS**  70.7162.753.3-162.514.7000112.6
746V34.5Very low35.2Very low103 Ų103128.2 Ų128.262%0.62479%0.79SS**  trans88.1102.3176.9-170.30000116.7
747F34.5Very low35.5Very low210 Ų210129.3 Ų129.392%0.92180%0.796SS**  trans69.8152.4152.9-78.1-132000118.4
748G34.6Very low35.8Very low65 Ų65129 Ų12967%0.6780%0.795SS**  cis-179.8146.8-3.600000112.2
749D37Very low36.3Very low166 Ų166130.1 Ų130.189%0.88880%0.803SS**  trans-72.2145.6-171.1-158.7-6.4000113.3
750A36.9Very low36.8Very low79 Ų79126.8 Ų126.865%0.65380%0.799SS**  trans-156.896.4178.900000112.9
751F40.4Very low37.4Very low207 Ų207129.3 Ų129.391%0.90880%0.804SS**  trans69.5124.7175.7-65.1-92.1000116.9
752G42Very low38Very low67 Ų67129.5 Ų129.569%0.69180%0.799SS**  cis151.8110.3-5.500000112.7P754G752-P754 WeakPolarHBondContact O-CD 3.17Å
753N43.9Very low38.8Very low142 Ų142133.6 Ų133.676%0.75980%0.802SS**  trans-80.3120.9177.2-174.931.3000111.5F755N753-F755 PolarHBondContact O-N 3.41Å
754P58.3Low39.6Very low102 Ų102135.7 Ų135.766%0.66281%0.807SS**SBendtrans-85.5104.1177.332.9-31.2000111.5G752G752-P754 WeakPolarHBondContact O-CD 3.17Å
755F43.4Very low40.2Very low194 Ų194137.6 Ų137.685%0.85182%0.816SS**  trans73.989.2174.5-58.1-82000116.9N753N753-F755 PolarHBondContact O-N 3.41Å
756A41.9Very low40.7Very low163 Ų163136.2 Ų136.2100%1.34782%0.816SS**  34.20118.800000118.5

Retrieved 756 of 756 residues in 653.7 ms (Link to these results)