A0A087XAW3_POEFO Loading...

Leucine rich repeat containing 56

AlphaFold DB , UniProt , Accession A0A087XAW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 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
1M35.9Very low36.3Very low240 Ų240150.6 Ų150.6100%1.18284%0.836SS**  0129.40-69172.6170.800106.8
2S34.7Very low36.5Very low120 Ų120148.2 Ų148.284%0.83983%0.827SS**  trans57.9158.6172.4-70.60000117.7
3V35.3Very low36.9Very low132 Ų132153.8 Ų153.880%0.883%0.828SS**  cis-150.5160.9-37.9114.20000106.4
4C33.6Very low37.8Very low104 Ų104151.9 Ų151.970%0.70383%0.828SS**  trans-67.2154.8-172.2-46.80000114.6
5H35.8Very low38.7Very low185 Ų185146.7 Ų146.786%0.85682%0.823SS**  trans-142.6102.3143.6-106.8-58.9000109.6
6D35Very low39.4Very low153 Ų153146.4 Ų146.482%0.81883%0.826SS**  trans-93.9142.6159.5-90.4-58.3000108.7
7S35.8Very low39.8Very low108 Ų108143.1 Ų143.176%0.75582%0.822SS**  trans-152.879.3167.9-82.60000111.7
8V35.4Very low40.3Very low124 Ų124148.5 Ų148.575%0.75283%0.826SS**  trans49.7118141.9-176.40000119.3Q10V8-Q10 HydrophobicContact CG1-CB 4.45Å
9V38.6Very low40.5Very low141 Ų141147 Ų14786%0.85582%0.821SS**  trans-85.7141.3152.4175.10000109
10Q38.8Very low40.8Very low178 Ų178148.2 Ų148.283%0.83282%0.82SS**  trans-138.5125.2168.2-160.2166.27.100110.6V8V8-Q10 HydrophobicContact CG1-CB 4.45Å
11E40.8Very low41.1Very low172 Ų172146.7 Ų146.780%0.80482%0.815SS**  trans-83.3-160.1172.1-58.2-173.4122.300111
12V38.2Very low41.8Very low121 Ų121141 Ų14173%0.73379%0.793SS**  trans86.2126.3180178.20000113.1
13R41.6Very low42.3Very low221 Ų221143.5 Ų143.583%0.83479%0.792SS**  cis-152.1168.1-7.4-114173.5-164.1158.61.7109.5
14P50.2Low42.7Very low128 Ų128145.1 Ų145.183%0.83180%0.795SS**  trans-81.8138.1177.933.6-31.5000111.6
15G51.6Low43.5Very low73 Ų73146.5 Ų146.575%0.75381%0.806SS**  trans16552.3178.900000115.8
16T48.6Very low43.9Very low143 Ų143140.8 Ų140.888%0.87780%0.797SS**  trans-158.8130.6166.4-8.60000111R18T16-R18 PolarHBondContact O-N 2.74Å
17A46.2Very low44.8Very low90 Ų90139.8 Ų139.874%0.74480%0.802SS**  trans-71.4120.2-177.800000111.3V19A17-V19 PolarHBondContact O-N 3.38Å
18R49.3Very low45.2Very low240 Ų240137.6 Ų137.691%0.90680%0.797SS**  trans-72.988.4171-82.2-177.2159.7-169-5.2110.2T16 Q20T16-R18 PolarHBondContact O-N 2.74Å; R18-Q20 PolarHBondContact O-N 3.1Å
19V44.4Very low46Very low120 Ų120137.2 Ų137.273%0.72780%0.799SS**  trans-6993.8169.2-176.60000109A17 V21A17-V19 PolarHBondContact O-N 3.38Å; V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.94Å
20Q46.9Very low46.8Very low171 Ų171138.8 Ų138.880%0.79980%0.801SS**  trans-74.1101.1166.7-75.4-173.4-33.700108.9R18 T22R18-Q20 PolarHBondContact O-N 3.1Å; Q20-T22 PolarHBondContact O-N 3.17Å; Q20-T22 VanDerWaalsContact O-N 3.11Å
21V45.9Very low47Very low117 Ų117136.4 Ų136.471%0.70979%0.794SS**  trans-72.7100.5169-178.20000108.4V19 E23V19-V21 HydrophobicContact CG1-CG2 4.16Å; V19-V21 PolarHBondContact O-N 2.94Å; V21-E23 PolarHBondContact O-N 3.4Å
22T50.3Low47.6Very low119 Ų119133.9 Ų133.973%0.7379%0.792SS**  trans-76101.2166.426.80000109.3Q20 L24Q20-T22 PolarHBondContact O-N 3.17Å; Q20-T22 VanDerWaalsContact O-N 3.11Å; T22-L24 PolarHBondContact O-N 2.85Å
23E46.5Very low48.3Very low174 Ų174133.9 Ų133.981%0.81379%0.793SS**  trans-63.9106.9170.4-70-162.5158.700110.1V21 S25V21-E23 PolarHBondContact O-N 3.4Å; E23-S25 PolarHBondContact O-N 3.17Å
24L44.1Very low48.4Very low166 Ų166129.3 Ų129.387%0.86979%0.792SS**  trans-71.793.6171.5-72.9173000109.3T22 G26T22-L24 PolarHBondContact O-N 2.85Å; L24-G26 PolarHBondContact O-N 2.98Å
25S50.4Low48Very low133 Ų133127.5 Ų127.593%0.9379%0.788SS**  trans-69.566.7172.5410000111.7E23E23-S25 PolarHBondContact O-N 3.17Å
26G44.3Very low47.8Very low65 Ų65135.7 Ų135.767%0.6780%0.796SS**  trans-123.6115.9-179.700000112L24 G28L24-G26 PolarHBondContact O-N 2.98Å; G26-G28 PolarHBondContact O-N 3.37Å
27S52.7Low47.4Very low132 Ų132137.8 Ų137.892%0.92379%0.793SS**  trans-70.1123.8-178.455.40000113
28G44.6Very low47.4Very low62 Ų62138 Ų13864%0.63980%0.795SS**  trans-177130.1169.100000112.6G26 I30G26-G28 PolarHBondContact O-N 3.37Å; G28-I30 PolarHBondContact O-N 3.38Å; G28-I30 VanDerWaalsContact O-N 3.07Å
29S53Low46.9Very low115 Ų115132 Ų13280%0.80478%0.78SS**  trans-77.991.2177.855.10000111N31S29-N31 PolarHBondContact O-N 3.1Å
30I55.2Low46.8Very low174 Ų174134.5 Ų134.589%0.89278%0.784SS**  trans-76.352.8175.6-41178.5000110.9G28G28-I30 PolarHBondContact O-N 3.38Å; G28-I30 VanDerWaalsContact O-N 3.07Å
31N41.5Very low46.5Very low128 Ų128133.4 Ų133.468%0.68478%0.784SS**SBendtrans-150.2105.2170-160-1.2000107.3S29 T33S29-N31 PolarHBondContact O-N 3.1Å; N31-T33 PolarHBondContact O-N 2.82Å
32P53.8Low46.3Very low119 Ų119136.5 Ų136.577%0.77379%0.791SS**  trans-68.2104-176.427.4-33.1000109.4
33T53.8Low46Very low122 Ų122138.2 Ų138.275%0.74880%0.795SS**  trans-57.4133.4163.835.10000108.3N31 A35N31-T33 PolarHBondContact O-N 2.82Å; T33-A35 PolarHBondContact O-N 3.27Å
34P43.4Very low45.9Very low124 Ų124139.6 Ų139.681%0.80580%0.799SS**  trans-64.9104.5179.925.8-33.1000108.5R36P34-R36 PolarHBondContact O-N 3.14Å
35A41.8Very low46Very low90 Ų90135.5 Ų135.574%0.74479%0.789SS**  trans-59.9112.217800000108.4T33 K37T33-A35 PolarHBondContact O-N 3.27Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.02Å
36R47.8Very low46.1Very low245 Ų245135.8 Ų135.893%0.92579%0.785SS**  trans-58.2102.4165.4-89.2-175.9165.2-178.2-4.8107P34 A38P34-R36 PolarHBondContact O-N 3.14Å; R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3.16Å
37K38.8Very low46.5Very low188 Ų188139.1 Ų139.182%0.81778%0.783SS**  trans-61.198.5167.2-76.3-174.8176.5-178.40107.6A35 N39A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.02Å; K37-N39 PolarHBondContact O-N 2.84Å
38A47.6Very low46.9Very low94 Ų94136.8 Ų136.878%0.77777%0.765SS**  trans-72.878.9162.500000107.8R36R36-A38 VanDerWaalsContact C-N 3.32Å; R36-A38 PolarHBondContact O-N 3.16Å
39N37.5Very low47.9Very low114 Ų114137.2 Ų137.261%0.6175%0.747SS**SBendtrans-164.4117.6165.1-96.7-24.3000111.5K37 D41K37-N39 PolarHBondContact O-N 2.84Å; N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.2Å
40Q43.5Very low48.7Very low172 Ų172132 Ų13280%0.80471%0.711SS**SBendtrans64.3-5.6133.1-62.7176.7-26.900121.5Q42Q40-Q42 PolarHBondContact O-N 3.13Å
41D40.3Very low49.7Very low149 Ų149124.4 Ų124.480%0.79767%0.673SS**  trans-95.844.4169-63.7-44.4000112.4N39N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.2Å
42Q41Very low51.5Low181 Ų181120.6 Ų120.685%0.84666%0.655SS**  trans-101.2-18.2177.6-81-167.2-34.600114.7Q40Q40-Q42 PolarHBondContact O-N 3.13Å
43D45.5Very low52.7Low155 Ų155121.5 Ų121.583%0.82965%0.647SS**THydrogen-bonded Turntrans-80.1125172.6-74.1-46.8000110.1
44K43.8Very low54Low204 Ų204120.9 Ų120.989%0.88763%0.63SS**THydrogen-bonded Turntrans71.143.3-172.1-49.5-178.2-177.6-1790115.9V46K44-V46 PolarHBondContact O-N 3.44Å
45A46Very low55.9Low80 Ų80115 Ų11566%0.66159%0.592SS**  -56.4126.9126.900000107.4E47A45-E47 PolarHBondContact O-N 3.01Å
46V53.1Low57.9Low139 Ų139113.1 Ų113.184%0.84257%0.568SS**  trans-68104.4174.1179.20000106.8K44K44-V46 PolarHBondContact O-N 3.44Å
47E52.7Low59.6Low134 Ų134108.5 Ų108.563%0.62656%0.561SS**  trans-60.4130.1171.3-73.3-158.3147.500108A45 Y49A45-E47 PolarHBondContact O-N 3.01Å; E47-Y49 PolarHBondContact O-N 2.94Å
48P61Low61.6Low84 Ų84103.4 Ų103.455%0.54554%0.542SS..  trans-59.4138.8175.425.3-33.4000109.2L50 S51P48-L50 PolarHBondContact O-N 2.89Å; P48-L50 VanDerWaalsContact O-N 3.11Å; P48-S51 WeakPolarHBondContact O-CB 2.97Å; P48-S51 PolarHBondContact O-N 2.88Å
49Y64.9Low63.3Low70 Ų70100.3 Ų100.328%0.27552%0.515SS..THydrogen-bonded Turntrans-58.8-28.9-174-170.6-91.5000113.5E47 R54 V74 N79E47-Y49 PolarHBondContact O-N 2.94Å; Y49-R54 VanDerWaalsContact CZ-NH2 3.25Å; Y49-R54 WeakPolarHBondContact O-CD 3.39Å; Y49-R54 PolarHBondContact O-NE 3.29Å; Y49-R54 VanDerWaalsContact O-NE 3.13Å; Y49-R54 PolarHBondContact OH-NH2 2.83Å; Y49-V74 HydrophobicContact CD1-CG1 3.86Å; Y49-V74 HydrophobicContact CD1-CG2 4.39Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 3.92Å; Y49-V74 HydrophobicContact CE1-CG2 4.05Å; Y49-N79 WeakPolarHBondContact CB-OD1 3.4Å; Y49-N79 HydrophobicContact CD1-CB 4.46Å; Y49-N79 HydrophobicContact CD2-CB 4.08Å; Y49-N79 WeakPolarHBondContact CD2-OD1 3.3Å; Y49-N79 HydrophobicContact CG-CB 3.82Å
50L70.4Confident65.3Low7 Ų798.2 Ų98.24%0.03752%0.52CS..THydrogen-bonded Turntrans-103.152.7168.7-61-173.9000111.5P48 L55 L58 I72 L81 F84P48-L50 PolarHBondContact O-N 2.89Å; P48-L50 VanDerWaalsContact O-N 3.11Å; L50-L55 HydrophobicContact CB-CD1 4.42Å; L50-L55 HydrophobicContact CB-CD2 4.38Å; L50-L55 HydrophobicContact CB-CG 4.34Å; L50-L55 HydrophobicContact CD2-CD2 4.08Å; L50-L58 HydrophobicContact CD2-CD1 4.43Å; L50-I72 HydrophobicContact CD1-CD1 4.17Å; L50-I72 HydrophobicContact CD2-CD1 4.5Å; L50-L81 HydrophobicContact CD1-CD2 3.57Å; L50-L81 HydrophobicContact CG-CD2 4.37Å; L50-F84 HydrophobicContact CB-CB 4.32Å; L50-F84 HydrophobicContact CD1-CB 3.73Å; L50-F84 HydrophobicContact CD1-CD1 3.87Å; L50-F84 HydrophobicContact CD1-CD2 4.04Å; L50-F84 HydrophobicContact CD1-CG 3.6Å
51S76.3Confident67Low13 Ų1392.9 Ų92.99%0.09150%0.499CS..  trans-61148.2168750000110P48 K53 R54 L55P48-S51 WeakPolarHBondContact O-CB 2.97Å; P48-S51 PolarHBondContact O-N 2.88Å; S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.38Å; S51-K53 VanDerWaalsContact O-N 3.16Å; S51-R54 WeakPolarHBondContact O-CA 3.39Å; S51-R54 WeakPolarHBondContact O-CB 3.48Å; S51-R54 PolarHBondContact O-N 3.09Å; S51-L55 PolarHBondContact O-N 3.22Å
52P77.9Confident68.9Low48 Ų4893.7 Ų93.731%0.31250%0.498SS..Hα-helixtrans-53.4-41.5-176.7-3136.9000113.4R54 L55 E56 Y87P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.45Å; P52-L55 CarbonylContact O-C 3.57Å; P52-L55 WeakPolarHBondContact O-CB 3.36Å; P52-L55 PolarHBondContact O-N 3.27Å; P52-L55 VanDerWaalsContact O-N 3.14Å; P52-E56 WeakPolarHBondContact O-CG 3.49Å; P52-E56 PolarHBondContact O-N 2.59Å; P52-Y87 HydrophobicContact CG-CD1 4.15Å; P52-Y87 HydrophobicContact CG-CE1 3.79Å; P52-Y87 HydrophobicContact CG-CE2 4.18Å
53K79.6Confident71Confident139 Ų13988.6 Ų88.660%0.60448%0.476SS*.Hα-helixtrans-58.5-35.7174.6-63.7175.1-175.9166.10113.2S51 L57S51-K53 VanDerWaalsContact C-N 3.26Å; S51-K53 PolarHBondContact O-N 3.38Å; S51-K53 VanDerWaalsContact O-N 3.16Å; K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 2.86Å; K53-L57 VanDerWaalsContact O-N 3.1Å
54R81.1Confident72.8Confident108 Ų10882 Ų8241%0.40844%0.441SS..Hα-helixtrans-75.5-36.8178.8-171.1152161.6100.41.1110.6Y49 S51 P52 L57 L58Y49-R54 VanDerWaalsContact CZ-NH2 3.25Å; Y49-R54 WeakPolarHBondContact O-CD 3.39Å; Y49-R54 PolarHBondContact O-NE 3.29Å; Y49-R54 VanDerWaalsContact O-NE 3.13Å; Y49-R54 PolarHBondContact OH-NH2 2.83Å; S51-R54 WeakPolarHBondContact O-CA 3.39Å; S51-R54 WeakPolarHBondContact O-CB 3.48Å; S51-R54 PolarHBondContact O-N 3.09Å; P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.45Å; R54-L57 PolarHBondContact O-N 2.97Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 WeakPolarHBondContact O-CB 3.36Å; R54-L58 VanDerWaalsContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.69Å
55L83.5Confident74.8Confident0 Ų074.4 Ų74.40%041%0.414CS..Hα-helixtrans-62.9-42.8168-68.6167.8000111.9L50 S51 P52 L57 L58 C59 L64 L70 Y87 L88L50-L55 HydrophobicContact CB-CD1 4.42Å; L50-L55 HydrophobicContact CB-CD2 4.38Å; L50-L55 HydrophobicContact CB-CG 4.34Å; L50-L55 HydrophobicContact CD2-CD2 4.08Å; S51-L55 PolarHBondContact O-N 3.22Å; P52-L55 CarbonylContact O-C 3.57Å; P52-L55 WeakPolarHBondContact O-CB 3.36Å; P52-L55 PolarHBondContact O-N 3.27Å; P52-L55 VanDerWaalsContact O-N 3.14Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 2.74Å; L55-C59 WeakPolarHBondContact O-CB 3.2Å; L55-C59 PolarHBondContact O-N 2.98Å; L55-C59 PolarHBondContact O-SG 3.49Å; L55-L64 HydrophobicContact CB-CD1 3.89Å; L55-L64 HydrophobicContact CB-CD2 4.13Å; L55-L64 HydrophobicContact CD1-CD1 4.47Å; L55-L70 HydrophobicContact CD2-CD2 4.3Å; L55-Y87 HydrophobicContact CD1-CD2 3.69Å; L55-Y87 HydrophobicContact CD1-CG 4.22Å; L55-L88 HydrophobicContact CD2-CD1 4.35Å
56E84.3Confident76.7Confident52 Ų5279.3 Ų79.324%0.24342%0.415CS..Hα-helixtrans-58.3-41.8174.9-68.8173.2-119.800112P52 G60 T61 H62 L64P52-E56 WeakPolarHBondContact O-CG 3.49Å; P52-E56 PolarHBondContact O-N 2.59Å; E56-G60 CarbonylContact O-C 3.13Å; E56-G60 WeakPolarHBondContact O-CA 3.4Å; E56-G60 PolarHBondContact O-N 3.43Å; E56-T61 WeakPolarHBondContact CA-O 3.42Å; E56-T61 PolarHBondContact O-N 2.86Å; E56-T61 VanDerWaalsContact O-N 3.1Å; E56-H62 IonicContact OE2-CE1 3.76Å; E56-H62 IonicContact OE2-CG 3.65Å; E56-H62 IonicContact OE2-ND1 2.74Å; E56-H62 PolarHBondContact OE2-ND1 3.42Å; E56-L64 HydrophobicContact CG-CD1 4.36Å; E56-L64 HydrophobicContact CG-CD2 4.19Å; E56-L64 HydrophobicContact CG-CG 4.24Å
57L82.3Confident78.4Confident147 Ų14773.2 Ų73.277%0.7738%0.378SS*.Hα-helixtrans-67.7-37.2175.9-73.1168.6000112.9K53 R54 L55K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.46Å; K53-L57 PolarHBondContact O-N 2.86Å; K53-L57 VanDerWaalsContact O-N 3.1Å; R54-L57 PolarHBondContact O-N 2.97Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.1Å
58L81.2Confident80.2Confident81 Ų8169.9 Ų69.942%0.42437%0.365SS..Hα-helixtrans-72.6-39.5178.1-72.5159.8000112L50 R54 L55 L70 I72L50-L58 HydrophobicContact CD2-CD1 4.43Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 WeakPolarHBondContact O-CB 3.36Å; R54-L58 VanDerWaalsContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CD1 3.3Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 2.69Å; L55-L58 PolarHBondContact O-N 2.74Å; L58-L70 HydrophobicContact CB-CD1 4.45Å; L58-I72 HydrophobicContact CD1-CG2 3.81Å; L58-I72 HydrophobicContact CD2-CG2 4.35Å; L58-I72 HydrophobicContact CG-CG2 4.47Å
59C83.3Confident81.7Confident30 Ų3070 Ų7020%0.20336%0.358CS..Hα-helixtrans-79.3-18.5177.2-56.30000112.9L55 T61 L64 V67L55-C59 WeakPolarHBondContact O-CB 3.2Å; L55-C59 PolarHBondContact O-N 2.98Å; L55-C59 PolarHBondContact O-SG 3.49Å; C59-T61 WeakPolarHBondContact CB-OG1 3.1Å; C59-T61 PolarHBondContact O-N 3.11Å; C59-L64 HydrophobicContact CB-CD2 4.3Å; C59-V67 HydrophobicContact CB-CG1 4.41Å; C59-V67 HydrophobicContact CB-CG2 3.82Å
60G79.3Confident82.9Confident69 Ų6966.9 Ų66.971%0.71135%0.346SS*.THydrogen-bonded Turntrans68.915.4-170.300000113.9E56E56-G60 CarbonylContact O-C 3.13Å; E56-G60 WeakPolarHBondContact O-CA 3.4Å; E56-G60 PolarHBondContact O-N 3.43Å
61T80.4Confident83.9Confident61 Ų6171.5 Ų71.537%0.37437%0.367SS..  trans-141.4130.1-170.858.20000112.5E56 C59 D63 V67E56-T61 WeakPolarHBondContact CA-O 3.42Å; E56-T61 PolarHBondContact O-N 2.86Å; E56-T61 VanDerWaalsContact O-N 3.1Å; C59-T61 WeakPolarHBondContact CB-OG1 3.1Å; C59-T61 PolarHBondContact O-N 3.11Å; T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 3.47Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.4Å
62H79.8Confident84.4Confident165 Ų16571.2 Ų71.276%0.76437%0.365SS*.SBendtrans-69.5-20.3174.1-58.6-60.2000114.2E56E56-H62 IonicContact OE2-CE1 3.76Å; E56-H62 IonicContact OE2-CG 3.65Å; E56-H62 IonicContact OE2-ND1 2.74Å; E56-H62 PolarHBondContact OE2-ND1 3.42Å
63D84.8Confident84.9Confident74 Ų7472.8 Ų72.840%0.39638%0.376SS..  trans-100.982.2-180-176.24.7000111.1T61 S65 R66T61-D63 VanDerWaalsContact C-N 3.27Å; T61-D63 PolarHBondContact O-N 3.47Å; D63-S65 PolarHBondContact O-N 3.43Å; D63-S65 WeakPolarHBondContact OD1-CB 3.26Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 PolarHBondContact OD1-OG 2.87Å; D63-R66 PolarHBondContact O-N 2.86Å; D63-R66 WeakPolarHBondContact OD2-CD 3.49Å; D63-R66 WeakPolarHBondContact OD2-CG 3.35Å
64L83.9Confident85.1Confident16 Ų1666.4 Ų66.48%0.08435%0.349CS..G310 helixtrans-61.4-19.7178.8-58.7-178.5000113.1L55 E56 C59 R66 V67 Y87 L88L55-L64 HydrophobicContact CB-CD1 3.89Å; L55-L64 HydrophobicContact CB-CD2 4.13Å; L55-L64 HydrophobicContact CD1-CD1 4.47Å; E56-L64 HydrophobicContact CG-CD1 4.36Å; E56-L64 HydrophobicContact CG-CD2 4.19Å; E56-L64 HydrophobicContact CG-CG 4.24Å; C59-L64 HydrophobicContact CB-CD2 4.3Å; L64-R66 PolarHBondContact O-N 2.88Å; L64-R66 VanDerWaalsContact O-N 3.09Å; L64-V67 HydrophobicContact CD2-CG2 4.41Å; L64-V67 PolarHBondContact O-N 2.91Å; L64-Y87 WeakPolarHBondContact CB-O 3.45Å; L64-L88 HydrophobicContact CB-CD2 3.97Å; L64-L88 HydrophobicContact CD2-CD2 4.22Å
65S85.4Confident85.3Confident45 Ų4563.4 Ų63.432%0.31534%0.34SS..G310 helixtrans-69.6-6.3179.183.20000114.5D63 R90D63-S65 PolarHBondContact O-N 3.43Å; D63-S65 WeakPolarHBondContact OD1-CB 3.26Å; D63-S65 PolarHBondContact OD1-N 3.01Å; D63-S65 PolarHBondContact OD1-OG 2.87Å; S65-R90 WeakPolarHBondContact O-CD 3.36Å; S65-R90 PolarHBondContact O-NH1 2.73Å
66R85.2Confident85.3Confident183 Ų18364.7 Ų64.769%0.69135%0.348SS*.G310 helixtrans-118.28.3-178.9-63.4-178.162.2-152.6-8.2113.5D63 L64 N68D63-R66 PolarHBondContact O-N 2.86Å; D63-R66 WeakPolarHBondContact OD2-CD 3.49Å; D63-R66 WeakPolarHBondContact OD2-CG 3.35Å; L64-R66 PolarHBondContact O-N 2.88Å; L64-R66 VanDerWaalsContact O-N 3.09Å; R66-N68 PolarHBondContact O-N 2.84Å; R66-N68 PolarHBondContact O-OD1 3.08Å
67V88.5Confident85.2Confident12 Ų1269 Ų697%0.07337%0.369CS..  trans-86.5106.8179.3176.60000109.1C59 T61 L64 H69 L88 R90 L91C59-V67 HydrophobicContact CB-CG1 4.41Å; C59-V67 HydrophobicContact CB-CG2 3.82Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.4Å; L64-V67 HydrophobicContact CD2-CG2 4.41Å; L64-V67 PolarHBondContact O-N 2.91Å; V67-H69 VanDerWaalsContact CG1-O 3.26Å; V67-H69 WeakPolarHBondContact CG1-O 3.35Å; V67-L88 HydrophobicContact CB-CD2 3.76Å; V67-L88 HydrophobicContact CG1-CD2 3.97Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; V67-R90 CarbonylContact O-C 3.54Å; V67-L91 HydrophobicContact CG1-CD1 4.28Å
68N90.6Very high85Confident64 Ų6469.4 Ų69.434%0.34237%0.366SS..  trans-92-18.1176.6-67.138.9000112.8R66 R90 E92 Q93R66-N68 PolarHBondContact O-N 2.84Å; R66-N68 PolarHBondContact O-OD1 3.08Å; N68-R90 WeakPolarHBondContact CA-O 3.31Å; N68-E92 HydrophobicContact CB-CG 4.32Å; N68-E92 PolarHBondContact ND2-OE2 2.82Å; N68-E92 PolarHBondContact O-N 2.75Å; N68-Q93 PolarHBondContact O-N 2.92Å
69H92.4Very high84.8Confident86 Ų8667.6 Ų67.640%0.39836%0.357SS..EExtended strand (participates in β ladder)trans-132.7133-178.6178.799.3000110.9V67 Q93V67-H69 VanDerWaalsContact CG1-O 3.26Å; V67-H69 WeakPolarHBondContact CG1-O 3.35Å; H69-Q93 WeakPolarHBondContact CA-O 3.17Å; H69-Q93 HydrophobicContact CB-CB 4.15Å; H69-Q93 PolarHBondContact ND1-OE1 3.35Å
70L90.3Very high84.5Confident4 Ų471.7 Ų71.72%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-135.3132.1175.8-179.764.3000111L55 L58 I72 F84 L88 L91 Q93 L94 K95L55-L70 HydrophobicContact CD2-CD2 4.3Å; L58-L70 HydrophobicContact CB-CD1 4.45Å; L70-I72 HydrophobicContact CD1-CG2 3.74Å; L70-I72 HydrophobicContact CD2-CD1 4Å; L70-I72 HydrophobicContact CD2-CG1 4.31Å; L70-I72 HydrophobicContact CD2-CG2 3.99Å; L70-I72 HydrophobicContact CG-CG1 4.41Å; L70-I72 HydrophobicContact CG-CG2 3.81Å; L70-F84 HydrophobicContact CD2-CE2 4.23Å; L70-L88 HydrophobicContact CD2-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD2 4.33Å; L70-Q93 PolarHBondContact N-O 2.99Å; L70-L94 HydrophobicContact CB-CD1 4.28Å; L70-L94 HydrophobicContact CD2-CD1 4.16Å; L70-L94 HydrophobicContact CG-CD1 4.33Å; L70-K95 PolarHBondContact O-N 3.06Å
71E91.1Very high84.4Confident104 Ų10468.8 Ų68.849%0.48635%0.349SS..EExtended strand (participates in β ladder)trans-115.1122.1166.2179.9164.1-173.700109.7K95E71-K95 WeakPolarHBondContact CA-O 3.44Å; E71-K95 HydrophobicContact CB-CB 4.21Å; E71-K95 HydrophobicContact CG-CB 4.26Å; E71-K95 HydrophobicContact CG-CD 4.12Å; E71-K95 HydrophobicContact CG-CG 4.12Å; E71-K95 WeakPolarHBondContact OE1-CE 3.38Å; E71-K95 IonicContact OE1-NZ 2.69Å; E71-K95 PolarHBondContact OE1-NZ 3.07Å; E71-K95 WeakPolarHBondContact OE2-CD 3.35Å; E71-K95 IonicContact OE2-NZ 2.74Å; E71-K95 PolarHBondContact OE2-NZ 3.25Å
72I88.1Confident83.9Confident8 Ų867.1 Ų67.14%0.04135%0.345CS..  trans-140.4144.8179.852.1175.1000111.3L50 L58 L70 V74 L81 L94 K95 M96 S99L50-I72 HydrophobicContact CD1-CD1 4.17Å; L50-I72 HydrophobicContact CD2-CD1 4.5Å; L58-I72 HydrophobicContact CD1-CG2 3.81Å; L58-I72 HydrophobicContact CD2-CG2 4.35Å; L58-I72 HydrophobicContact CG-CG2 4.47Å; L70-I72 HydrophobicContact CD1-CG2 3.74Å; L70-I72 HydrophobicContact CD2-CD1 4Å; L70-I72 HydrophobicContact CD2-CG1 4.31Å; L70-I72 HydrophobicContact CD2-CG2 3.99Å; L70-I72 HydrophobicContact CG-CG1 4.41Å; L70-I72 HydrophobicContact CG-CG2 3.81Å; I72-V74 HydrophobicContact CB-CG2 4.16Å; I72-V74 HydrophobicContact CD1-CG2 3.95Å; I72-V74 HydrophobicContact CG1-CG2 4.2Å; I72-L81 HydrophobicContact CD1-CD2 4.48Å; I72-L94 HydrophobicContact CD1-CD1 4.32Å; I72-L94 HydrophobicContact CG1-CD1 4.25Å; I72-K95 PolarHBondContact N-O 2.98Å; I72-M96 HydrophobicContact CD1-CE 3.84Å; I72-M96 HydrophobicContact CD1-CG 4.41Å; I72-M96 HydrophobicContact CD1-SD 4.11Å; I72-M96 HydrophobicContact CG1-CE 4.03Å; I72-M96 HydrophobicContact CG1-CG 3.86Å; I72-M96 HydrophobicContact CG1-SD 4.22Å; I72-M96 VanDerWaalsContact O-CA 3.31Å; I72-M96 WeakPolarHBondContact O-CA 3.06Å; I72-S99 PolarHBondContact O-OG 3.5Å
73C87.7Confident83.7Confident81 Ų8163.4 Ų63.455%0.54733%0.331SS..  trans-110123168-171.90000108.1S99C73-S99 WeakPolarHBondContact CA-OG 3.33Å
74V84.6Confident83.8Confident5 Ų560 Ų603%0.0331%0.312CS..  trans-138.6157.3-175.7-1670000110.8Y49 I72 N79 L81 M96 S99 F100Y49-V74 HydrophobicContact CD1-CG1 3.86Å; Y49-V74 HydrophobicContact CD1-CG2 4.39Å; Y49-V74 HydrophobicContact CE1-CB 4.38Å; Y49-V74 HydrophobicContact CE1-CG1 3.92Å; Y49-V74 HydrophobicContact CE1-CG2 4.05Å; I72-V74 HydrophobicContact CB-CG2 4.16Å; I72-V74 HydrophobicContact CD1-CG2 3.95Å; I72-V74 HydrophobicContact CG1-CG2 4.2Å; V74-N79 HydrophobicContact CG1-CB 4.41Å; V74-L81 HydrophobicContact CB-CD2 3.85Å; V74-L81 HydrophobicContact CG1-CD2 3.62Å; V74-L81 HydrophobicContact CG1-CG 4.07Å; V74-L81 HydrophobicContact CG2-CD2 3.75Å; V74-M96 HydrophobicContact CB-CE 4.3Å; V74-M96 HydrophobicContact CG2-CE 4.15Å; V74-S99 PolarHBondContact N-OG 2.85Å; V74-S99 CarbonylContact O-C 3.4Å; V74-S99 WeakPolarHBondContact O-CA 3.08Å; V74-S99 WeakPolarHBondContact O-CB 3.38Å; V74-F100 PolarHBondContact O-N 3.08Å
75D85.8Confident83.7Confident44 Ų4459.3 Ų59.324%0.23531%0.309CS..BIsolated β-bridgetrans-126.9114.6175.2-175.1-28.4000108.7Q77 N79 F100D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CG 3.38Å; D75-Q77 PolarHBondContact OD1-N 3.19Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.41Å; D75-N79 PolarHBondContact O-ND2 2.8Å; D75-F100 HydrophobicContact CB-CB 4.43Å; D75-F100 HydrophobicContact CB-CD2 4.33Å; D75-F100 WeakPolarHBondContact OD2-CD2 3.05Å
76T83.3Confident83.7Confident27 Ų2760.3 Ų60.317%0.16632%0.32CS..THydrogen-bonded Turntrans-80.9-6.6-177.670.20000114.5N79 L81 F100 V101 D106T76-N79 WeakPolarHBondContact CA-O 3.44Å; T76-L81 HydrophobicContact CG2-CD1 3.44Å; T76-L81 VanDerWaalsContact CG2-CD1 3.44Å; T76-L81 HydrophobicContact CG2-CG 3.92Å; T76-F100 PolarHBondContact N-O 2.83Å; T76-F100 PolarHBondContact OG1-O 3.38Å; T76-V101 HydrophobicContact CG2-CG1 4.44Å; T76-V101 HydrophobicContact CG2-CG2 4.08Å; T76-D106 WeakPolarHBondContact CB-OD2 3.45Å; T76-D106 HydrophobicContact CG2-CB 4.04Å; T76-D106 PolarHBondContact OG1-OD2 2.56Å
77Q81.4Confident83.7Confident144 Ų14456.9 Ų56.967%0.67331%0.307SS*.THydrogen-bonded Turntrans-70.2-39.9168.9-53.2-173.714.100110.6D75D75-Q77 VanDerWaalsContact C-N 3.32Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.09Å; D75-Q77 WeakPolarHBondContact OD1-CG 3.38Å; D75-Q77 PolarHBondContact OD1-N 3.19Å
78E77.4Confident83.7Confident154 Ų15456.4 Ų56.472%0.7230%0.304SS*.THydrogen-bonded Turntrans-94.4-28.4179.6-67.5-70154.200112.7
79N77.3Confident83.5Confident43 Ų4356.6 Ų56.623%0.2331%0.309CS..  trans-141.9110.3-167.3-55.1-84.5000114Y49 V74 D75 T76 L81Y49-N79 WeakPolarHBondContact CB-OD1 3.4Å; Y49-N79 HydrophobicContact CD1-CB 4.46Å; Y49-N79 HydrophobicContact CD2-CB 4.08Å; Y49-N79 WeakPolarHBondContact CD2-OD1 3.3Å; Y49-N79 HydrophobicContact CG-CB 3.82Å; V74-N79 HydrophobicContact CG1-CB 4.41Å; D75-N79 WeakPolarHBondContact O-CB 3.41Å; D75-N79 PolarHBondContact O-N 3.41Å; D75-N79 PolarHBondContact O-ND2 2.8Å; T76-N79 WeakPolarHBondContact CA-O 3.44Å; N79-L81 PolarHBondContact O-N 3.49Å
80T77.4Confident83.4Confident117 Ų11759 Ų5972%0.71832%0.315SS*.  trans-62.3123.3169.9-43.10000110.9
81L76.3Confident83.5Confident7 Ų758.9 Ų58.94%0.03731%0.314CS..  trans-67.1-42.7177.3-78.1160.7000111.9L50 I72 V74 T76 N79 F84 M96 V101 D106 L107L50-L81 HydrophobicContact CD1-CD2 3.57Å; L50-L81 HydrophobicContact CG-CD2 4.37Å; I72-L81 HydrophobicContact CD1-CD2 4.48Å; V74-L81 HydrophobicContact CB-CD2 3.85Å; V74-L81 HydrophobicContact CG1-CD2 3.62Å; V74-L81 HydrophobicContact CG1-CG 4.07Å; V74-L81 HydrophobicContact CG2-CD2 3.75Å; T76-L81 HydrophobicContact CG2-CD1 3.44Å; T76-L81 VanDerWaalsContact CG2-CD1 3.44Å; T76-L81 HydrophobicContact CG2-CG 3.92Å; N79-L81 PolarHBondContact O-N 3.49Å; L81-F84 HydrophobicContact CB-CD1 4.28Å; L81-F84 HydrophobicContact CB-CE1 4.4Å; L81-M96 HydrophobicContact CD1-CE 3.85Å; L81-M96 HydrophobicContact CD2-CE 3.89Å; L81-V101 HydrophobicContact CD1-CG2 4.18Å; L81-D106 VanDerWaalsContact CB-O 3.29Å; L81-D106 WeakPolarHBondContact CB-O 3.46Å; L81-D106 HydrophobicContact CD1-CB 4.37Å; L81-L107 HydrophobicContact CD1-CD2 3.94Å
82G71.1Confident83.6Confident27 Ų2757.3 Ų57.328%0.27831%0.307SS..  trans68.5-168.917400000113.4F84 D106G82-F84 WeakPolarHBondContact O-CD1 3.44Å; G82-F84 PolarHBondContact O-N 3.2Å; G82-D106 PolarHBondContact N-O 3.34Å
83D75.9Confident83.9Confident87 Ų8760.5 Ų60.547%0.46532%0.322SS..SBendtrans-76.151.1177.8-70.2-58.9000112.9G85 A86 T109 T110D83-G85 PolarHBondContact O-N 3Å; D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.05Å; D83-T109 PolarHBondContact OD1-N 3.5Å; D83-T110 HydrophobicContact CB-CG2 4.05Å
84F84.9Confident84.2Confident3 Ų356.7 Ų56.71%0.01330%0.296CS..G310 helixtrans-63.7-22179.475.9-87000112.5L50 L70 L81 G82 A86 Y87 L88 L91 L94 L107 L111L50-F84 HydrophobicContact CB-CB 4.32Å; L50-F84 HydrophobicContact CD1-CB 3.73Å; L50-F84 HydrophobicContact CD1-CD1 3.87Å; L50-F84 HydrophobicContact CD1-CD2 4.04Å; L50-F84 HydrophobicContact CD1-CG 3.6Å; L70-F84 HydrophobicContact CD2-CE2 4.23Å; L81-F84 HydrophobicContact CB-CD1 4.28Å; L81-F84 HydrophobicContact CB-CE1 4.4Å; G82-F84 WeakPolarHBondContact O-CD1 3.44Å; G82-F84 PolarHBondContact O-N 3.2Å; F84-A86 PolarHBondContact O-N 3.25Å; F84-Y87 WeakPolarHBondContact O-CB 3.46Å; F84-Y87 PolarHBondContact O-N 3.41Å; F84-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 4.28Å; F84-L88 PolarHBondContact O-N 3.19Å; F84-L91 HydrophobicContact CE2-CD2 4.49Å; F84-L94 HydrophobicContact CE2-CD2 4.46Å; F84-L94 HydrophobicContact CZ-CD2 3.87Å; F84-L107 HydrophobicContact CE1-CB 4.45Å; F84-L107 HydrophobicContact CE1-CD2 4.14Å; F84-L107 HydrophobicContact CZ-CD2 4.37Å; F84-L111 HydrophobicContact CE1-CD1 4.36Å; F84-L111 HydrophobicContact CE2-CD1 4.49Å; F84-L111 HydrophobicContact CE2-CD2 4.5Å; F84-L111 HydrophobicContact CZ-CD1 3.89Å
85G82.8Confident84.7Confident1 Ų159.1 Ų59.11%0.0131%0.306CS..G310 helixtrans-58.5-25.616900000113.9D83 Y87 L88 T110 L111D83-G85 PolarHBondContact O-N 3Å; G85-Y87 PolarHBondContact O-N 3.28Å; G85-L88 CarbonylContact O-C 3.53Å; G85-L88 PolarHBondContact O-N 2.82Å; G85-T110 WeakPolarHBondContact CA-OG1 3.44Å; G85-T110 PolarHBondContact N-OG1 3.26Å; G85-L111 VanDerWaalsContact CA-CD2 3.46Å
86A85.5Confident84.9Confident65 Ų6557 Ų5754%0.53730%0.295SS..G310 helixtrans-63.7-23.9172.300000113.2D83 F84 T110D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.05Å; F84-A86 PolarHBondContact O-N 3.25Å; A86-T110 HydrophobicContact CB-CG2 4.43Å; A86-T110 PolarHBondContact N-OG1 2.77Å
87Y84.5Confident85.2Confident111 Ų11157.7 Ų57.744%0.43530%0.297SS..G310 helixtrans-86.8-19.2172-54.1-55.7000112.8P52 L55 L64 F84 G85 P89P52-Y87 HydrophobicContact CG-CD1 4.15Å; P52-Y87 HydrophobicContact CG-CE1 3.79Å; P52-Y87 HydrophobicContact CG-CE2 4.18Å; L55-Y87 HydrophobicContact CD1-CD2 3.69Å; L55-Y87 HydrophobicContact CD1-CG 4.22Å; L64-Y87 WeakPolarHBondContact CB-O 3.45Å; F84-Y87 WeakPolarHBondContact O-CB 3.46Å; F84-Y87 PolarHBondContact O-N 3.41Å; G85-Y87 PolarHBondContact O-N 3.28Å; Y87-P89 WeakPolarHBondContact O-CD 3.43Å
88L88.8Confident85.6Confident2 Ų255.7 Ų55.71%0.0129%0.291CS..  trans-123.958-174-59.7168.7000111.8L55 L64 V67 L70 F84 G85 R90 L91L55-L88 HydrophobicContact CD2-CD1 4.35Å; L64-L88 HydrophobicContact CB-CD2 3.97Å; L64-L88 HydrophobicContact CD2-CD2 4.22Å; V67-L88 HydrophobicContact CB-CD2 3.76Å; V67-L88 HydrophobicContact CG1-CD2 3.97Å; V67-L88 HydrophobicContact CG2-CD2 4.25Å; L70-L88 HydrophobicContact CD2-CD1 3.63Å; F84-L88 HydrophobicContact CD2-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 4.28Å; F84-L88 PolarHBondContact O-N 3.19Å; G85-L88 CarbonylContact O-C 3.53Å; G85-L88 PolarHBondContact O-N 2.82Å; L88-R90 PolarHBondContact O-N 3.08Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD2 4.3Å; L88-L91 PolarHBondContact O-N 3.46Å
89P87.8Confident86.1Confident68 Ų6848.4 Ų48.444%0.44226%0.257SS..THydrogen-bonded Turntrans-69.17.9-17131.5-39.7000115Y87 H113Y87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-H113 PolarHBondContact O-CD2 2.89Å
90R89.9Confident86.6Confident136 Ų13650.9 Ų50.951%0.51327%0.266SS..THydrogen-bonded Turntrans-130.817.7175.9-66.5-164.4178.8115.1-6113S65 V67 N68 L88 E92S65-R90 WeakPolarHBondContact O-CD 3.36Å; S65-R90 PolarHBondContact O-NH1 2.73Å; V67-R90 CarbonylContact O-C 3.54Å; N68-R90 WeakPolarHBondContact CA-O 3.31Å; L88-R90 PolarHBondContact O-N 3.08Å; R90-E92 PolarHBondContact O-N 3.02Å; R90-E92 VanDerWaalsContact O-N 3.08Å
91L91.7Very high87.2Confident2 Ų245.3 Ų45.31%0.0123%0.232CC..  trans-66.6110.8179.8-164.169.2000110.4V67 L70 F84 L88 Q93 L94 L111 H113 L114V67-L91 HydrophobicContact CG1-CD1 4.28Å; L70-L91 HydrophobicContact CB-CD1 3.63Å; L70-L91 HydrophobicContact CB-CD2 4.33Å; F84-L91 HydrophobicContact CE2-CD2 4.49Å; L88-L91 HydrophobicContact CB-CB 4.16Å; L88-L91 HydrophobicContact CD1-CD2 4.3Å; L88-L91 PolarHBondContact O-N 3.46Å; L91-Q93 WeakPolarHBondContact CD1-O 3.27Å; L91-L94 HydrophobicContact CD2-CB 3.99Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 HydrophobicContact CD2-CD2 4.4Å; L91-L94 HydrophobicContact CD2-CG 4.42Å; L91-L111 HydrophobicContact CB-CD2 4.29Å; L91-L111 HydrophobicContact CD2-CD2 3.91Å; L91-H113 CarbonylContact O-C 3.27Å; L91-H113 VanDerWaalsContact O-C 3.3Å; L91-L114 HydrophobicContact CG-CD1 4.42Å; L91-L114 VanDerWaalsContact O-CA 3.31Å; L91-L114 WeakPolarHBondContact O-CA 3.37Å; L91-L114 PolarHBondContact O-N 3.06Å
92E93.9Very high87.8Confident72 Ų7249.1 Ų49.134%0.33625%0.251SS..  trans-95.1-23.6176.5-59.8-176.4115.900111.5N68 R90 Q115 V116N68-E92 HydrophobicContact CB-CG 4.32Å; N68-E92 PolarHBondContact ND2-OE2 2.82Å; N68-E92 PolarHBondContact O-N 2.75Å; R90-E92 PolarHBondContact O-N 3.02Å; R90-E92 VanDerWaalsContact O-N 3.08Å; E92-Q115 WeakPolarHBondContact O-CA 3.37Å; E92-Q115 WeakPolarHBondContact O-CB 3.25Å; E92-Q115 PolarHBondContact O-N 2.77Å; E92-Q115 PolarHBondContact OE1-NE2 3.31Å; E92-V116 PolarHBondContact O-N 3.17Å
93Q94.8Very high88.7Confident75 Ų7548.7 Ų48.735%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-137.9122.2-172.1-68.2-169.9-2.500111.1N68 H69 L70 L91 V116 W118N68-Q93 PolarHBondContact O-N 2.92Å; H69-Q93 WeakPolarHBondContact CA-O 3.17Å; H69-Q93 HydrophobicContact CB-CB 4.15Å; H69-Q93 PolarHBondContact ND1-OE1 3.35Å; L70-Q93 PolarHBondContact N-O 2.99Å; L91-Q93 WeakPolarHBondContact CD1-O 3.27Å; Q93-V116 WeakPolarHBondContact CA-O 3.45Å; Q93-V116 HydrophobicContact CG-CB 4.21Å; Q93-V116 HydrophobicContact CG-CG2 4.3Å; Q93-W118 HydrophobicContact CB-CZ3 4.04Å; Q93-W118 HydrophobicContact CG-CH2 4.45Å; Q93-W118 HydrophobicContact CG-CZ3 4.4Å
94L93.5Very high89.3Confident0 Ų044.6 Ų44.60%022%0.221CC..EExtended strand (participates in β ladder)trans-127.6123.8178.6177.456.8000110.2L70 I72 F84 L91 M96 L107 L111 L114 V116 L117 W118L70-L94 HydrophobicContact CB-CD1 4.28Å; L70-L94 HydrophobicContact CD2-CD1 4.16Å; L70-L94 HydrophobicContact CG-CD1 4.33Å; I72-L94 HydrophobicContact CD1-CD1 4.32Å; I72-L94 HydrophobicContact CG1-CD1 4.25Å; F84-L94 HydrophobicContact CE2-CD2 4.46Å; F84-L94 HydrophobicContact CZ-CD2 3.87Å; L91-L94 HydrophobicContact CD2-CB 3.99Å; L91-L94 HydrophobicContact CD2-CD1 4.18Å; L91-L94 HydrophobicContact CD2-CD2 4.4Å; L91-L94 HydrophobicContact CD2-CG 4.42Å; L94-M96 HydrophobicContact CD1-CG 3.73Å; L94-M96 HydrophobicContact CD1-SD 3.91Å; L94-M96 HydrophobicContact CD2-CG 4.44Å; L94-M96 HydrophobicContact CD2-SD 3.85Å; L94-M96 HydrophobicContact CG-CG 3.87Å; L94-M96 HydrophobicContact CG-SD 3.94Å; L94-L107 HydrophobicContact CD2-CD2 4.39Å; L94-L111 HydrophobicContact CD2-CD1 3.99Å; L94-L114 HydrophobicContact CB-CD1 3.6Å; L94-L114 HydrophobicContact CB-CD2 4.43Å; L94-V116 PolarHBondContact N-O 2.88Å; L94-L117 HydrophobicContact CB-CD1 4.06Å; L94-L117 HydrophobicContact CD2-CD1 4.01Å; L94-L117 HydrophobicContact CG-CD1 3.97Å; L94-L117 WeakPolarHBondContact O-CA 3.17Å; L94-W118 PolarHBondContact O-N 3.01Å
95K94.1Very high89.4Confident56 Ų5652.4 Ų52.424%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-120.1118.9-180-177.1173.1176.4-130.70110L70 E71 I72 W118L70-K95 PolarHBondContact O-N 3.06Å; E71-K95 WeakPolarHBondContact CA-O 3.44Å; E71-K95 HydrophobicContact CB-CB 4.21Å; E71-K95 HydrophobicContact CG-CB 4.26Å; E71-K95 HydrophobicContact CG-CD 4.12Å; E71-K95 HydrophobicContact CG-CG 4.12Å; E71-K95 WeakPolarHBondContact OE1-CE 3.38Å; E71-K95 IonicContact OE1-NZ 2.69Å; E71-K95 PolarHBondContact OE1-NZ 3.07Å; E71-K95 WeakPolarHBondContact OE2-CD 3.35Å; E71-K95 IonicContact OE2-NZ 2.74Å; E71-K95 PolarHBondContact OE2-NZ 3.25Å; I72-K95 PolarHBondContact N-O 2.98Å; K95-W118 HydrophobicContact CB-CB 4.4Å; K95-W118 HydrophobicContact CB-CE3 3.87Å; K95-W118 HydrophobicContact CG-CB 4.11Å; K95-W118 HydrophobicContact CG-CE3 4.4Å
96M90.2Very high89.6Confident0 Ų054.9 Ų54.90%026%0.264CS..  trans-13029.3-173.6-59-169.262.800113.5I72 V74 L81 L94 N98 S99 V101 L107 W118 M119 C122I72-M96 HydrophobicContact CD1-CE 3.84Å; I72-M96 HydrophobicContact CD1-CG 4.41Å; I72-M96 HydrophobicContact CD1-SD 4.11Å; I72-M96 HydrophobicContact CG1-CE 4.03Å; I72-M96 HydrophobicContact CG1-CG 3.86Å; I72-M96 HydrophobicContact CG1-SD 4.22Å; I72-M96 VanDerWaalsContact O-CA 3.31Å; I72-M96 WeakPolarHBondContact O-CA 3.06Å; V74-M96 HydrophobicContact CB-CE 4.3Å; V74-M96 HydrophobicContact CG2-CE 4.15Å; L81-M96 HydrophobicContact CD1-CE 3.85Å; L81-M96 HydrophobicContact CD2-CE 3.89Å; L94-M96 HydrophobicContact CD1-CG 3.73Å; L94-M96 HydrophobicContact CD1-SD 3.91Å; L94-M96 HydrophobicContact CD2-CG 4.44Å; L94-M96 HydrophobicContact CD2-SD 3.85Å; L94-M96 HydrophobicContact CG-CG 3.87Å; L94-M96 HydrophobicContact CG-SD 3.94Å; M96-N98 PolarHBondContact O-N 2.87Å; M96-S99 WeakPolarHBondContact O-CB 3.29Å; M96-S99 PolarHBondContact O-N 2.97Å; M96-S99 VanDerWaalsContact O-N 3.08Å; M96-S99 PolarHBondContact O-OG 2.97Å; M96-V101 HydrophobicContact CE-CG2 4.33Å; M96-L107 HydrophobicContact CE-CD2 4.21Å; M96-L107 HydrophobicContact SD-CD2 3.58Å; M96-L107 VanDerWaalsContact SD-CD2 3.58Å; M96-W118 PolarHBondContact N-O 3.45Å; M96-M119 HydrophobicContact CB-CG 4.26Å; M96-C122 PolarHBondContact O-SG 3.07Å
97N90.1Very high89.6Confident41 Ų4151.8 Ų51.822%0.21924%0.238CC..THydrogen-bonded Turntrans-56.4136.6-176.6-62.615.4000112.4S99 W118 S120N97-S99 VanDerWaalsContact C-N 3.28Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-W118 WeakPolarHBondContact OD1-CB 3.31Å; N97-W118 PolarHBondContact OD1-O 2.9Å; N97-S120 CarbonylContact C-O 3.57Å; N97-S120 WeakPolarHBondContact CA-O 3.5Å; N97-S120 PolarHBondContact ND2-OG 2.99Å; N97-S120 PolarHBondContact OD1-N 3.32Å
98N89.4Confident89.6Confident103 Ų10347 Ų4755%0.55122%0.223SC*.THydrogen-bonded Turntrans63.324-173.9-39.9-64.1000114.7M96 S120M96-N98 PolarHBondContact O-N 2.87Å; N98-S120 PolarHBondContact N-O 3.25Å
99S89.1Confident89.4Confident0 Ų051.7 Ų51.70%025%0.252CS..  trans-94.5126.8174.2-59.80000111.4I72 C73 V74 M96 N97 V101 C122I72-S99 PolarHBondContact O-OG 3.5Å; C73-S99 WeakPolarHBondContact CA-OG 3.33Å; V74-S99 PolarHBondContact N-OG 2.85Å; V74-S99 CarbonylContact O-C 3.4Å; V74-S99 WeakPolarHBondContact O-CA 3.08Å; V74-S99 WeakPolarHBondContact O-CB 3.38Å; M96-S99 WeakPolarHBondContact O-CB 3.29Å; M96-S99 PolarHBondContact O-N 2.97Å; M96-S99 VanDerWaalsContact O-N 3.08Å; M96-S99 PolarHBondContact O-OG 2.97Å; N97-S99 VanDerWaalsContact C-N 3.28Å; N97-S99 PolarHBondContact O-N 2.9Å; S99-V101 PolarHBondContact O-N 2.77Å; S99-V101 VanDerWaalsContact O-N 3.07Å; S99-C122 CarbonylContact O-C 3.57Å; S99-C122 WeakPolarHBondContact O-CA 3.06Å; S99-C122 WeakPolarHBondContact O-CB 3.48Å; S99-C122 PolarHBondContact O-SG 3.46Å
100F88Confident89.2Confident95 Ų9550.7 Ų50.742%0.41724%0.244SC..BIsolated β-bridgetrans-70.4107.9173.2-64.2-73.6000110V74 D75 T76 C123V74-F100 PolarHBondContact O-N 3.08Å; D75-F100 HydrophobicContact CB-CB 4.43Å; D75-F100 HydrophobicContact CB-CD2 4.33Å; D75-F100 WeakPolarHBondContact OD2-CD2 3.05Å; T76-F100 PolarHBondContact N-O 2.83Å; T76-F100 PolarHBondContact OG1-O 3.38Å; F100-C123 HydrophobicContact CD1-CB 4.38Å
101V89.6Confident89.1Confident0 Ų044.4 Ų44.40%022%0.221CC..  trans-141.3105.5179.5-175.80000108.1T76 L81 M96 S99 S103 D106 M119 C122 L124T76-V101 HydrophobicContact CG2-CG1 4.44Å; T76-V101 HydrophobicContact CG2-CG2 4.08Å; L81-V101 HydrophobicContact CD1-CG2 4.18Å; M96-V101 HydrophobicContact CE-CG2 4.33Å; S99-V101 PolarHBondContact O-N 2.77Å; S99-V101 VanDerWaalsContact O-N 3.07Å; V101-S103 WeakPolarHBondContact CG1-O 3.4Å; V101-D106 HydrophobicContact CG1-CB 4.29Å; V101-M119 HydrophobicContact CB-CE 3.65Å; V101-M119 HydrophobicContact CG1-CE 3.74Å; V101-M119 HydrophobicContact CG2-CE 4.04Å; V101-C122 PolarHBondContact N-O 2.84Å; V101-L124 VanDerWaalsContact O-CA 3.31Å; V101-L124 WeakPolarHBondContact O-CA 3.43Å; V101-L124 WeakPolarHBondContact O-CD1 3.39Å
102M88.3Confident88.9Confident88 Ų8846.9 Ų46.943%0.43324%0.239SC..SBendtrans-80.3-27.7-173-66.1-171.868.800114Q125 D126M102-Q125 PolarHBondContact O-N 3.13Å; M102-Q125 VanDerWaalsContact O-N 3.14Å; M102-D126 PolarHBondContact O-N 2.81Å
103S89.4Confident88.7Confident18 Ų1848.3 Ų48.313%0.12625%0.245CC..BIsolated β-bridgetrans-139.8141178.6-177.40000110.8V101 R105 D106 D126 S128V101-S103 WeakPolarHBondContact CG1-O 3.4Å; S103-R105 PolarHBondContact O-N 3.27Å; S103-R105 VanDerWaalsContact O-N 3.13Å; S103-D106 PolarHBondContact O-N 3.09Å; S103-D126 WeakPolarHBondContact CA-O 3.48Å; S103-D126 PolarHBondContact OG-OD2 3.38Å; S103-S128 PolarHBondContact OG-O 2.99Å; S103-S128 PolarHBondContact OG-OG 2.89Å
104L88.7Confident88.7Confident0 Ų044.7 Ų44.70%023%0.228CC..G310 helixtrans-63.2-18.1177.6-67.6177.6000113.1D106 L107 L117 M119 L124 D126 L127 S128 I130L104-D106 PolarHBondContact O-N 3.05Å; L104-L107 HydrophobicContact CB-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.47Å; L104-L107 PolarHBondContact O-N 2.98Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å; L104-M119 HydrophobicContact CD2-CE 3.89Å; L104-M119 HydrophobicContact CD2-SD 3.39Å; L104-M119 WeakPolarHBondContact CD2-SD 3.29Å; L104-L124 HydrophobicContact CD1-CD2 4.47Å; L104-L124 HydrophobicContact CD2-CD1 4.07Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CG-CD1 4.05Å; L104-L124 HydrophobicContact CG-CD2 4.07Å; L104-D126 PolarHBondContact N-O 3.04Å; L104-L127 HydrophobicContact CD1-CB 4.27Å; L104-L127 HydrophobicContact CD1-CD2 3.93Å; L104-S128 CarbonylContact C-O 3.01Å; L104-I130 HydrophobicContact CD1-CB 3.74Å; L104-I130 HydrophobicContact CD1-CD1 3.87Å; L104-I130 HydrophobicContact CD1-CG1 3.86Å
105R88.1Confident88.8Confident168 Ų16846.9 Ų46.963%0.63424%0.239SC*.G310 helixtrans-59.2-28.2175.5-164.8-175.7-56.1-1482.6113.1S103 L107 G108 S128S103-R105 PolarHBondContact O-N 3.27Å; S103-R105 VanDerWaalsContact O-N 3.13Å; R105-L107 PolarHBondContact O-N 2.84Å; R105-G108 PolarHBondContact O-N 2.85Å; R105-S128 WeakPolarHBondContact CA-O 3.26Å; R105-S128 WeakPolarHBondContact CB-O 3.39Å; R105-S128 PolarHBondContact N-O 3.06Å; R105-S128 PolarHBondContact NE-OG 2.71Å; R105-S128 PolarHBondContact NH2-OG 2.89Å
106D87Confident88.9Confident52 Ų5244.7 Ų44.728%0.27823%0.23SC..G310 helixtrans-61.4-25.7178.3-69.2-12.9000111.9T76 L81 G82 V101 S103 L104 G108T76-D106 WeakPolarHBondContact CB-OD2 3.45Å; T76-D106 HydrophobicContact CG2-CB 4.04Å; T76-D106 PolarHBondContact OG1-OD2 2.56Å; L81-D106 VanDerWaalsContact CB-O 3.29Å; L81-D106 WeakPolarHBondContact CB-O 3.46Å; L81-D106 HydrophobicContact CD1-CB 4.37Å; G82-D106 PolarHBondContact N-O 3.34Å; V101-D106 HydrophobicContact CG1-CB 4.29Å; S103-D106 PolarHBondContact O-N 3.09Å; L104-D106 PolarHBondContact O-N 3.05Å; D106-G108 PolarHBondContact O-N 3.37Å
107L84.4Confident89.1Confident0 Ų044.7 Ų44.70%023%0.23CC..G310 helixtrans-73.1-7.6179.5-57.3168.3000114.1L81 F84 L94 M96 L104 R105 L111 L117 M119 F133L81-L107 HydrophobicContact CD1-CD2 3.94Å; F84-L107 HydrophobicContact CE1-CB 4.45Å; F84-L107 HydrophobicContact CE1-CD2 4.14Å; F84-L107 HydrophobicContact CZ-CD2 4.37Å; L94-L107 HydrophobicContact CD2-CD2 4.39Å; M96-L107 HydrophobicContact CE-CD2 4.21Å; M96-L107 HydrophobicContact SD-CD2 3.58Å; M96-L107 VanDerWaalsContact SD-CD2 3.58Å; L104-L107 HydrophobicContact CB-CD1 4.48Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 3.4Å; L104-L107 WeakPolarHBondContact O-CG 3.47Å; L104-L107 PolarHBondContact O-N 2.98Å; L104-L107 VanDerWaalsContact O-N 3.13Å; R105-L107 PolarHBondContact O-N 2.84Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L117 HydrophobicContact CD1-CD2 4.48Å; L107-M119 HydrophobicContact CD1-SD 4.29Å; L107-F133 HydrophobicContact CB-CZ 4.25Å; L107-F133 HydrophobicContact CD1-CE2 4.32Å; L107-F133 HydrophobicContact CD1-CZ 4Å
108G84.3Confident89.4Confident12 Ų1245.4 Ų45.412%0.12423%0.229CC..  trans74.4-177.2-175.400000113.6R105 D106R105-G108 PolarHBondContact O-N 2.85Å; D106-G108 PolarHBondContact O-N 3.37Å
109T85.5Confident89.6Confident100 Ų10040.5 Ų40.561%0.61320%0.203SC*.SBendtrans-106.59.2-173.464.10000113.5D83 T132D83-T109 PolarHBondContact OD1-N 3.5Å; T109-T132 HydrophobicContact CG2-CG2 4.07Å
110T84.1Confident89.7Confident46 Ų4641.5 Ų41.528%0.28221%0.21SC..  trans-98.30.6-164.2450000114.9D83 G85 A86 S112D83-T110 HydrophobicContact CB-CG2 4.05Å; G85-T110 WeakPolarHBondContact CA-OG1 3.44Å; G85-T110 PolarHBondContact N-OG1 3.26Å; A86-T110 HydrophobicContact CB-CG2 4.43Å; A86-T110 PolarHBondContact N-OG1 2.77Å; T110-S112 PolarHBondContact O-N 2.97Å
111L88Confident89.9Confident4 Ų441.5 Ų41.52%0.02121%0.211CC..  trans-94.643.3-174.8-63.9173.1000113.6F84 G85 L91 L94 L107 H113 L114 F133F84-L111 HydrophobicContact CE1-CD1 4.36Å; F84-L111 HydrophobicContact CE2-CD1 4.49Å; F84-L111 HydrophobicContact CE2-CD2 4.5Å; F84-L111 HydrophobicContact CZ-CD1 3.89Å; G85-L111 VanDerWaalsContact CA-CD2 3.46Å; L91-L111 HydrophobicContact CB-CD2 4.29Å; L91-L111 HydrophobicContact CD2-CD2 3.91Å; L94-L111 HydrophobicContact CD2-CD1 3.99Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.09Å; L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.43Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-F133 HydrophobicContact CB-CD1 4.05Å; L111-F133 HydrophobicContact CB-CE1 3.92Å; L111-F133 HydrophobicContact CD1-CE1 4.31Å
112S86.8Confident89.9Confident55 Ų5541.5 Ų41.539%0.38521%0.211SC..THydrogen-bonded Turntrans-60.3-22.8-173.459.60000115.5T110 S135T110-S112 PolarHBondContact O-N 2.97Å; S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.33Å; S112-S135 PolarHBondContact O-OG 2.81Å
113H90.6Very high89.9Confident101 Ų10139.7 Ų39.747%0.46821%0.206SC..THydrogen-bonded Turntrans-93.92.4179.2-71.9-58.7000114.5P89 L91 L111 Q115P89-H113 PolarHBondContact O-CD2 2.89Å; L91-H113 CarbonylContact O-C 3.27Å; L91-H113 VanDerWaalsContact O-C 3.3Å; L111-H113 PolarHBondContact O-N 3.47Å; L111-H113 VanDerWaalsContact O-N 3.09Å; H113-Q115 PolarHBondContact O-N 2.86Å
114L93.8Very high90Very high0 Ų038.8 Ų38.80%020%0.2CC..  trans-66.4125.8-178.6-169.269000111L91 L94 L111 L117 F133 S135 L136L91-L114 HydrophobicContact CG-CD1 4.42Å; L91-L114 VanDerWaalsContact O-CA 3.31Å; L91-L114 WeakPolarHBondContact O-CA 3.37Å; L91-L114 PolarHBondContact O-N 3.06Å; L94-L114 HydrophobicContact CB-CD1 3.6Å; L94-L114 HydrophobicContact CB-CD2 4.43Å; L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 VanDerWaalsContact O-CB 3.25Å; L111-L114 WeakPolarHBondContact O-CB 3.43Å; L111-L114 PolarHBondContact O-N 3.09Å; L114-L117 HydrophobicContact CD2-CB 4.2Å; L114-L117 HydrophobicContact CD2-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD2 4.45Å; L114-F133 HydrophobicContact CD2-CD1 4.46Å; L114-F133 HydrophobicContact CD2-CG 4.47Å; L114-S135 CarbonylContact O-C 3.52Å; L114-S135 VanDerWaalsContact O-CB 3.31Å; L114-S135 WeakPolarHBondContact O-CB 3.44Å; L114-L136 HydrophobicContact CD2-CD1 4.42Å; L114-L136 VanDerWaalsContact O-CA 3.31Å; L114-L136 WeakPolarHBondContact O-CA 3.46Å; L114-L136 PolarHBondContact O-N 2.85Å; L114-L136 VanDerWaalsContact O-N 3.14Å
115Q95.2Very high90.1Very high46 Ų4643.7 Ų43.722%0.21522%0.223CC..  trans-111.9-32.2-177.5-7017067.100112.1E92 H113 K137 E138E92-Q115 WeakPolarHBondContact O-CA 3.37Å; E92-Q115 WeakPolarHBondContact O-CB 3.25Å; E92-Q115 PolarHBondContact O-N 2.77Å; E92-Q115 PolarHBondContact OE1-NE2 3.31Å; H113-Q115 PolarHBondContact O-N 2.86Å; Q115-K137 HydrophobicContact CB-CD 4.32Å; Q115-K137 HydrophobicContact CG-CD 4.28Å; Q115-K137 PolarHBondContact O-N 3.13Å; Q115-E138 PolarHBondContact O-N 3.21Å; Q115-E138 VanDerWaalsContact O-N 3.08Å
116V96.4Very high90.1Very high9 Ų938.2 Ų38.26%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-132.3129.5179.1-169.60000110.9E92 Q93 L94 W118 E138 Y140E92-V116 PolarHBondContact O-N 3.17Å; Q93-V116 WeakPolarHBondContact CA-O 3.45Å; Q93-V116 HydrophobicContact CG-CB 4.21Å; Q93-V116 HydrophobicContact CG-CG2 4.3Å; L94-V116 PolarHBondContact N-O 2.88Å; V116-W118 HydrophobicContact CB-CH2 4Å; V116-W118 HydrophobicContact CB-CZ2 4.4Å; V116-W118 HydrophobicContact CB-CZ3 4.13Å; V116-W118 HydrophobicContact CG1-CD2 3.9Å; V116-W118 HydrophobicContact CG1-CE3 3.91Å; V116-W118 HydrophobicContact CG1-CH2 3.44Å; V116-W118 VanDerWaalsContact CG1-CH2 3.44Å; V116-W118 HydrophobicContact CG1-CZ2 3.38Å; V116-W118 HydrophobicContact CG1-CZ3 3.71Å; V116-E138 WeakPolarHBondContact CA-O 3.31Å; V116-E138 HydrophobicContact CB-CB 4.41Å; V116-E138 HydrophobicContact CG1-CB 3.93Å; V116-E138 HydrophobicContact CG2-CB 4.13Å; V116-E138 HydrophobicContact CG2-CG 4.41Å; V116-Y140 HydrophobicContact CG1-CD2 4.11Å; V116-Y140 HydrophobicContact CG1-CE2 3.74Å
117L95.3Very high90.2Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-126.4119.8177.1-179.756.2000110.2L94 L104 L107 L114 M119 F133 L136 E138 L139 Y140L94-L117 HydrophobicContact CB-CD1 4.06Å; L94-L117 HydrophobicContact CD2-CD1 4.01Å; L94-L117 HydrophobicContact CG-CD1 3.97Å; L94-L117 WeakPolarHBondContact O-CA 3.17Å; L104-L117 HydrophobicContact CD2-CD2 4.27Å; L107-L117 HydrophobicContact CD1-CD2 4.48Å; L114-L117 HydrophobicContact CD2-CB 4.2Å; L114-L117 HydrophobicContact CD2-CD1 4.38Å; L114-L117 HydrophobicContact CD2-CD2 4.45Å; L117-M119 HydrophobicContact CD1-CG 3.84Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 HydrophobicContact CD2-SD 3.96Å; L117-M119 HydrophobicContact CG-CG 4.06Å; L117-M119 HydrophobicContact CG-SD 4.07Å; L117-F133 HydrophobicContact CD2-CE2 4.43Å; L117-L136 HydrophobicContact CB-CD1 4.08Å; L117-L136 HydrophobicContact CD2-CD1 4.38Å; L117-E138 PolarHBondContact N-O 3.36Å; L117-L139 HydrophobicContact CB-CD1 3.98Å; L117-L139 HydrophobicContact CD2-CD1 3.9Å; L117-L139 HydrophobicContact CG-CD1 4.1Å; L117-Y140 PolarHBondContact O-N 2.74Å
118W95.4Very high90.4Very high57 Ų5736.4 Ų36.422%0.21620%0.198CC..EExtended strand (participates in β ladder)trans-109.4123.6170.2-59.5-88.9000110.5Q93 L94 K95 M96 N97 V116 Y140Q93-W118 HydrophobicContact CB-CZ3 4.04Å; Q93-W118 HydrophobicContact CG-CH2 4.45Å; Q93-W118 HydrophobicContact CG-CZ3 4.4Å; L94-W118 PolarHBondContact O-N 3.01Å; K95-W118 HydrophobicContact CB-CB 4.4Å; K95-W118 HydrophobicContact CB-CE3 3.87Å; K95-W118 HydrophobicContact CG-CB 4.11Å; K95-W118 HydrophobicContact CG-CE3 4.4Å; M96-W118 PolarHBondContact N-O 3.45Å; N97-W118 WeakPolarHBondContact OD1-CB 3.31Å; N97-W118 PolarHBondContact OD1-O 2.9Å; V116-W118 HydrophobicContact CB-CH2 4Å; V116-W118 HydrophobicContact CB-CZ2 4.4Å; V116-W118 HydrophobicContact CB-CZ3 4.13Å; V116-W118 HydrophobicContact CG1-CD2 3.9Å; V116-W118 HydrophobicContact CG1-CE3 3.91Å; V116-W118 HydrophobicContact CG1-CH2 3.44Å; V116-W118 VanDerWaalsContact CG1-CH2 3.44Å; V116-W118 HydrophobicContact CG1-CZ2 3.38Å; V116-W118 HydrophobicContact CG1-CZ3 3.71Å; W118-Y140 AromaticContact CD1-CD2 3.26Å; W118-Y140 AromaticContact CD1-CE2 3.91Å; W118-Y140 AromaticContact CD1-CG 3.42Å; W118-Y140 VanDerWaalsContact CD1-CG 3.42Å; W118-Y140 HydrophobicContact CD2-CD2 4.38Å; W118-Y140 AromaticContact CE2-CD2 3.97Å; W118-Y140 AromaticContact CE2-CE2 3.93Å; W118-Y140 AromaticContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CG 4.37Å; W118-Y140 HydrophobicContact CZ2-CE2 4.41Å; W118-Y140 AromaticContact NE1-CD2 3.2Å; W118-Y140 AromaticContact NE1-CE2 3.31Å; W118-Y140 VanDerWaalsContact NE1-CE2 3.31Å; W118-Y140 AromaticContact NE1-CG 3.68Å; W118-Y140 AromaticContact NE1-CZ 3.88Å
119M93.1Very high90.5Very high0 Ų036.7 Ų36.70%020%0.201CC..  trans-138.558.1177-66.5-17864.500110.1M96 V101 L104 L107 L117 C122 L124 Y140 L141 N144M96-M119 HydrophobicContact CB-CG 4.26Å; V101-M119 HydrophobicContact CB-CE 3.65Å; V101-M119 HydrophobicContact CG1-CE 3.74Å; V101-M119 HydrophobicContact CG2-CE 4.04Å; L104-M119 HydrophobicContact CD2-CE 3.89Å; L104-M119 HydrophobicContact CD2-SD 3.39Å; L104-M119 WeakPolarHBondContact CD2-SD 3.29Å; L107-M119 HydrophobicContact CD1-SD 4.29Å; L117-M119 HydrophobicContact CD1-CG 3.84Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 HydrophobicContact CD2-SD 3.96Å; L117-M119 HydrophobicContact CG-CG 4.06Å; L117-M119 HydrophobicContact CG-SD 4.07Å; M119-C122 VanDerWaalsContact CA-SG 3.52Å; M119-C122 HydrophobicContact CB-CB 4.21Å; M119-C122 HydrophobicContact CE-CB 4.19Å; M119-C122 PolarHBondContact O-SG 2.8Å; M119-C122 VanDerWaalsContact O-SG 3.41Å; M119-L124 HydrophobicContact CE-CD1 4.37Å; M119-L124 HydrophobicContact CE-CD2 4.45Å; M119-Y140 PolarHBondContact N-O 3.17Å; M119-L141 HydrophobicContact CB-CD2 3.82Å; M119-N144 PolarHBondContact O-ND2 2.85Å
120S92.7Very high90.7Very high20 Ų2031.9 Ų31.914%0.1417%0.171CC..THydrogen-bonded Turntrans-69.5134.7176.2-44.10000111.3N97 N98 P142N97-S120 CarbonylContact C-O 3.57Å; N97-S120 WeakPolarHBondContact CA-O 3.5Å; N97-S120 PolarHBondContact ND2-OG 2.99Å; N97-S120 PolarHBondContact OD1-N 3.32Å; N98-S120 PolarHBondContact N-O 3.25Å; S120-P142 WeakPolarHBondContact CA-O 3.41Å; S120-P142 WeakPolarHBondContact OG-CG 3.31Å
121H90.6Very high90.9Very high95 Ų9532 Ų3244%0.4417%0.174SC..THydrogen-bonded Turntrans54.748179.5-59-68.4000114.9P142 Y143H121-P142 PolarHBondContact N-O 2.83Å; H121-Y143 WeakPolarHBondContact CE1-CB 3.21Å; H121-Y143 AromaticContact CE1-CD1 3.98Å; H121-Y143 AromaticContact CE1-CD2 3.76Å; H121-Y143 AromaticContact CE1-CG 3.39Å; H121-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H121-Y143 AromaticContact ND1-CG 3.85Å
122C89.6Confident90.9Very high0 Ų033.6 Ų33.60%018%0.184CC..  trans-101.8-0.8-175.6-67.30000115.2M96 S99 V101 M119 L124 N144M96-C122 PolarHBondContact O-SG 3.07Å; S99-C122 CarbonylContact O-C 3.57Å; S99-C122 WeakPolarHBondContact O-CA 3.06Å; S99-C122 WeakPolarHBondContact O-CB 3.48Å; S99-C122 PolarHBondContact O-SG 3.46Å; V101-C122 PolarHBondContact N-O 2.84Å; M119-C122 VanDerWaalsContact CA-SG 3.52Å; M119-C122 HydrophobicContact CB-CB 4.21Å; M119-C122 HydrophobicContact CE-CB 4.19Å; M119-C122 PolarHBondContact O-SG 2.8Å; M119-C122 VanDerWaalsContact O-SG 3.41Å; C122-L124 PolarHBondContact O-N 2.82Å; C122-N144 VanDerWaalsContact CA-OD1 3.3Å; C122-N144 WeakPolarHBondContact CA-OD1 3.41Å; C122-N144 WeakPolarHBondContact CB-OD1 3.16Å; C122-N144 PolarHBondContact N-OD1 2.78Å
123C89.8Confident91.1Very high50 Ų5031 Ų3134%0.33817%0.166SC..  trans55.927.1-170.8-63.40000113.7F100 Q125 N144F100-C123 HydrophobicContact CD1-CB 4.38Å; C123-Q125 PolarHBondContact O-N 2.9Å; C123-N144 PolarHBondContact N-OD1 3.13Å; C123-N144 VanDerWaalsContact N-OD1 3.09Å
124L91.5Very high91Very high0 Ų031.5 Ų31.50%017%0.172CC..  trans-64.7128178.6-172.269.1000110V101 L104 M119 C122 L127 L141 N144 N145 V146V101-L124 VanDerWaalsContact O-CA 3.31Å; V101-L124 WeakPolarHBondContact O-CA 3.43Å; V101-L124 WeakPolarHBondContact O-CD1 3.39Å; L104-L124 HydrophobicContact CD1-CD2 4.47Å; L104-L124 HydrophobicContact CD2-CD1 4.07Å; L104-L124 HydrophobicContact CD2-CD2 3.9Å; L104-L124 HydrophobicContact CG-CD1 4.05Å; L104-L124 HydrophobicContact CG-CD2 4.07Å; M119-L124 HydrophobicContact CE-CD1 4.37Å; M119-L124 HydrophobicContact CE-CD2 4.45Å; C122-L124 PolarHBondContact O-N 2.82Å; L124-L127 HydrophobicContact CD2-CD2 3.72Å; L124-L127 HydrophobicContact CG-CD2 4.35Å; L124-L141 HydrophobicContact CD2-CD1 4.07Å; L124-L141 HydrophobicContact CD2-CD2 3.75Å; L124-L141 HydrophobicContact CD2-CG 4.48Å; L124-N144 HydrophobicContact CB-CB 4.1Å; L124-N144 WeakPolarHBondContact CB-OD1 3.38Å; L124-N144 PolarHBondContact N-OD1 3.24Å; L124-N145 CarbonylContact O-C 3.6Å; L124-N145 VanDerWaalsContact O-C 3.27Å; L124-N145 WeakPolarHBondContact O-CA 3.45Å; L124-N145 PolarHBondContact O-N 3.29Å; L124-V146 HydrophobicContact CD2-CG2 4.32Å; L124-V146 HydrophobicContact CG-CG2 4.32Å; L124-V146 PolarHBondContact O-N 2.88Å
125Q89.5Confident90.9Very high103 Ų10333 Ų3348%0.48118%0.183SC..  trans-115.7-40.1-179.4-71.317513.600111.8M102 C123 N145M102-Q125 PolarHBondContact O-N 3.13Å; M102-Q125 VanDerWaalsContact O-N 3.14Å; C123-Q125 PolarHBondContact O-N 2.9Å; Q125-N145 HydrophobicContact CG-CB 3.76Å
126D88.2Confident90.9Very high52 Ų5230.9 Ų30.928%0.27817%0.173SC..BIsolated β-bridgetrans-116.2133.2-177.1165.645.1000110.8M102 S103 L104 S128 Q151M102-D126 PolarHBondContact O-N 2.81Å; S103-D126 WeakPolarHBondContact CA-O 3.48Å; S103-D126 PolarHBondContact OG-OD2 3.38Å; L104-D126 PolarHBondContact N-O 3.04Å; D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 VanDerWaalsContact CG-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.3Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 WeakPolarHBondContact OD2-CB 3.06Å; D126-S128 PolarHBondContact OD2-N 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.78Å; D126-Q151 PolarHBondContact OD1-NE2 2.83Å
127L90.5Very high90.8Very high1 Ų133.1 Ų33.11%0.00518%0.182CC..  trans-87.34177.8-58.6-176.5000113.2L104 L124 G129 I130 L141 V146 L149 Q151 V152L104-L127 HydrophobicContact CD1-CB 4.27Å; L104-L127 HydrophobicContact CD1-CD2 3.93Å; L124-L127 HydrophobicContact CD2-CD2 3.72Å; L124-L127 HydrophobicContact CG-CD2 4.35Å; L127-G129 PolarHBondContact O-N 3.32Å; L127-I130 HydrophobicContact CB-CG2 4.31Å; L127-I130 WeakPolarHBondContact O-CB 3.43Å; L127-I130 WeakPolarHBondContact O-CG2 3.31Å; L127-I130 PolarHBondContact O-N 2.93Å; L127-L141 HydrophobicContact CD2-CD1 3.72Å; L127-V146 HydrophobicContact CD1-CG1 3.93Å; L127-V146 HydrophobicContact CD2-CG1 4.15Å; L127-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CG-CG1 3.97Å; L127-L149 HydrophobicContact CD1-CD2 4.33Å; L127-Q151 HydrophobicContact CB-CB 4.4Å; L127-V152 HydrophobicContact CD1-CG2 3.4Å
128S88.7Confident90.9Very high13 Ų1336.4 Ų36.49%0.09120%0.197CC..THydrogen-bonded Turntrans-61.6134.9-172.480.70000113.1S103 L104 R105 D126 Q151S103-S128 PolarHBondContact OG-O 2.99Å; S103-S128 PolarHBondContact OG-OG 2.89Å; L104-S128 CarbonylContact C-O 3.01Å; R105-S128 WeakPolarHBondContact CA-O 3.26Å; R105-S128 WeakPolarHBondContact CB-O 3.39Å; R105-S128 PolarHBondContact N-O 3.06Å; R105-S128 PolarHBondContact NE-OG 2.71Å; R105-S128 PolarHBondContact NH2-OG 2.89Å; D126-S128 VanDerWaalsContact C-N 3.31Å; D126-S128 VanDerWaalsContact CG-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.3Å; D126-S128 PolarHBondContact OD1-N 3.14Å; D126-S128 WeakPolarHBondContact OD2-CB 3.06Å; D126-S128 PolarHBondContact OD2-N 2.93Å; D126-S128 PolarHBondContact OD2-OG 2.78Å; S128-Q151 VanDerWaalsContact CB-OE1 3.28Å
129G85.7Confident90.9Very high18 Ų1833.7 Ų33.719%0.18619%0.187CC..THydrogen-bonded Turntrans100.6-17.6-166.100000114.2L127 S131 T132L127-G129 PolarHBondContact O-N 3.32Å; G129-S131 PolarHBondContact O-N 2.94Å; G129-S131 VanDerWaalsContact O-N 3.14Å; G129-T132 WeakPolarHBondContact O-CB 3.45Å; G129-T132 WeakPolarHBondContact O-CG2 3.3Å; G129-T132 PolarHBondContact O-N 2.82Å; G129-T132 PolarHBondContact O-OG1 3.44Å
130I90.4Very high91.1Very high0 Ų036.1 Ų36.10%020%0.196CC..G310 helixtrans-57.9-31.4-178.4-161.2170.8000114.1L104 L127 T132 F133 L139 Q151 L155L104-I130 HydrophobicContact CD1-CB 3.74Å; L104-I130 HydrophobicContact CD1-CD1 3.87Å; L104-I130 HydrophobicContact CD1-CG1 3.86Å; L127-I130 HydrophobicContact CB-CG2 4.31Å; L127-I130 WeakPolarHBondContact O-CB 3.43Å; L127-I130 WeakPolarHBondContact O-CG2 3.31Å; L127-I130 PolarHBondContact O-N 2.93Å; I130-T132 PolarHBondContact O-N 2.85Å; I130-F133 HydrophobicContact CG1-CD2 4.2Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-F133 VanDerWaalsContact O-N 3.09Å; I130-L139 HydrophobicContact CD1-CD2 3.57Å; I130-Q151 HydrophobicContact CG2-CB 4.14Å; I130-L155 HydrophobicContact CD1-CD1 3.75Å; I130-L155 HydrophobicContact CG1-CD1 3.92Å; I130-L155 HydrophobicContact CG1-CD2 4.42Å; I130-L155 HydrophobicContact CG1-CG 4.44Å
131S87.1Confident91.2Very high49 Ų4935.1 Ų35.134%0.34319%0.189SC..G310 helixtrans-68.98.9175.654.10000115G129 M154G129-S131 PolarHBondContact O-N 2.94Å; G129-S131 VanDerWaalsContact O-N 3.14Å; S131-M154 WeakPolarHBondContact CB-SD 3.23Å
132T87.4Confident91.4Very high37 Ų3731.1 Ų31.123%0.22717%0.172CC..G310 helixtrans-98-6.8168.964.60000113.2T109 G129 I130 D134T109-T132 HydrophobicContact CG2-CG2 4.07Å; G129-T132 WeakPolarHBondContact O-CB 3.45Å; G129-T132 WeakPolarHBondContact O-CG2 3.3Å; G129-T132 PolarHBondContact O-N 2.82Å; G129-T132 PolarHBondContact O-OG1 3.44Å; I130-T132 PolarHBondContact O-N 2.85Å; T132-D134 PolarHBondContact O-N 3.09Å
133F91.1Very high91.5Very high0 Ų036.5 Ų36.50%019%0.193CC..  trans-100.359-178.4-47.5-43.3000111.4L107 L111 L114 L117 I130 S135 L136L107-F133 HydrophobicContact CB-CZ 4.25Å; L107-F133 HydrophobicContact CD1-CE2 4.32Å; L107-F133 HydrophobicContact CD1-CZ 4Å; L111-F133 HydrophobicContact CB-CD1 4.05Å; L111-F133 HydrophobicContact CB-CE1 3.92Å; L111-F133 HydrophobicContact CD1-CE1 4.31Å; L114-F133 HydrophobicContact CD2-CD1 4.46Å; L114-F133 HydrophobicContact CD2-CG 4.47Å; L117-F133 HydrophobicContact CD2-CE2 4.43Å; I130-F133 HydrophobicContact CG1-CD2 4.2Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-F133 VanDerWaalsContact O-N 3.09Å; F133-S135 PolarHBondContact O-N 3.23Å; F133-L136 HydrophobicContact CB-CB 3.93Å; F133-L136 HydrophobicContact CB-CD1 3.77Å; F133-L136 HydrophobicContact CB-CG 4.49Å; F133-L136 HydrophobicContact CD2-CD1 3.94Å; F133-L136 HydrophobicContact CG-CD1 4.19Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.04Å
134D88.1Confident91.7Very high111 Ų11134.3 Ų34.359%0.59418%0.178SC*.THydrogen-bonded Turntrans-50.5-31.8-175.4-59.1-32.6000114.2T132 L136 N157T132-D134 PolarHBondContact O-N 3.09Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-N157 PolarHBondContact O-ND2 2.87Å
135S92.3Very high91.8Very high33 Ų3337.6 Ų37.623%0.23120%0.196CC..THydrogen-bonded Turntrans-81.8-4.1-178.5-63.70000114.8S112 L114 F133S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.33Å; S112-S135 PolarHBondContact O-OG 2.81Å; L114-S135 CarbonylContact O-C 3.52Å; L114-S135 VanDerWaalsContact O-CB 3.31Å; L114-S135 WeakPolarHBondContact O-CB 3.44Å; F133-S135 PolarHBondContact O-N 3.23Å
136L95.1Very high92Very high0 Ų032.7 Ų32.70%017%0.173CC..  trans-73.3128.5-165.8-158.7155.7000112L114 L117 F133 D134 L139 L155 N157 L158L114-L136 HydrophobicContact CD2-CD1 4.42Å; L114-L136 VanDerWaalsContact O-CA 3.31Å; L114-L136 WeakPolarHBondContact O-CA 3.46Å; L114-L136 PolarHBondContact O-N 2.85Å; L114-L136 VanDerWaalsContact O-N 3.14Å; L117-L136 HydrophobicContact CB-CD1 4.08Å; L117-L136 HydrophobicContact CD2-CD1 4.38Å; F133-L136 HydrophobicContact CB-CB 3.93Å; F133-L136 HydrophobicContact CB-CD1 3.77Å; F133-L136 HydrophobicContact CB-CG 4.49Å; F133-L136 HydrophobicContact CD2-CD1 3.94Å; F133-L136 HydrophobicContact CG-CD1 4.19Å; F133-L136 WeakPolarHBondContact O-CB 3.37Å; F133-L136 PolarHBondContact O-N 3.04Å; D134-L136 VanDerWaalsContact C-N 3.34Å; L136-L139 HydrophobicContact CD2-CB 3.84Å; L136-L155 HydrophobicContact CD2-CD1 4.46Å; L136-N157 CarbonylContact O-C 3.59Å; L136-N157 VanDerWaalsContact O-C 3.25Å; L136-L158 HydrophobicContact CD2-CD1 3.69Å; L136-L158 PolarHBondContact O-N 2.8Å
137K95.7Very high92.1Very high56 Ų5632.9 Ų32.924%0.24318%0.178CC..  trans-118.2-32.2-174.1-66.3161.4-163.8173.40112.5Q115 R159 L160Q115-K137 HydrophobicContact CB-CD 4.32Å; Q115-K137 HydrophobicContact CG-CD 4.28Å; Q115-K137 PolarHBondContact O-N 3.13Å; K137-R159 WeakPolarHBondContact O-CA 3.47Å; K137-R159 WeakPolarHBondContact O-CB 3.36Å; K137-R159 PolarHBondContact O-N 3.36Å; K137-L160 PolarHBondContact O-N 3.03Å
138E96.7Very high92.2Very high70 Ų7035.2 Ų35.233%0.32719%0.19SC..EExtended strand (participates in β ladder)trans-134.8119.9-175.6-57176.9-155.300109.7Q115 V116 L117 Y140 L160Q115-E138 PolarHBondContact O-N 3.21Å; Q115-E138 VanDerWaalsContact O-N 3.08Å; V116-E138 WeakPolarHBondContact CA-O 3.31Å; V116-E138 HydrophobicContact CB-CB 4.41Å; V116-E138 HydrophobicContact CG1-CB 3.93Å; V116-E138 HydrophobicContact CG2-CB 4.13Å; V116-E138 HydrophobicContact CG2-CG 4.41Å; L117-E138 PolarHBondContact N-O 3.36Å; E138-Y140 HydrophobicContact CB-CD2 4.44Å; E138-Y140 HydrophobicContact CB-CE2 3.67Å; E138-Y140 PolarHBondContact OE2-OH 3.23Å; E138-L160 WeakPolarHBondContact CA-O 3.44Å; E138-L160 HydrophobicContact CB-CB 4.33Å; E138-L160 HydrophobicContact CG-CB 4.12Å
139L96Very high92.3Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-122.4117.4-177.8-17659000109.5L117 I130 L136 L141 L158 L160 L161 D162L117-L139 HydrophobicContact CB-CD1 3.98Å; L117-L139 HydrophobicContact CD2-CD1 3.9Å; L117-L139 HydrophobicContact CG-CD1 4.1Å; I130-L139 HydrophobicContact CD1-CD2 3.57Å; L136-L139 HydrophobicContact CD2-CB 3.84Å; L139-L141 HydrophobicContact CD1-CD1 4.3Å; L139-L141 HydrophobicContact CD1-CD2 3.93Å; L139-L141 HydrophobicContact CD1-CG 4.01Å; L139-L141 HydrophobicContact CD2-CD1 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.39Å; L139-L141 HydrophobicContact CG-CD1 4.04Å; L139-L141 HydrophobicContact CG-CD2 4.39Å; L139-L141 HydrophobicContact CG-CG 3.9Å; L139-L158 HydrophobicContact CB-CD1 3.9Å; L139-L160 PolarHBondContact N-O 3.37Å; L139-L161 HydrophobicContact CB-CD1 4.04Å; L139-L161 HydrophobicContact CD2-CD1 3.75Å; L139-L161 HydrophobicContact CG-CD1 4.05Å; L139-D162 PolarHBondContact O-N 2.86Å
140Y96.2Very high92.6Very high50 Ų5035.8 Ų35.820%0.19619%0.191CC..EExtended strand (participates in β ladder)trans-116.9103.9-179.7-56-97.9000109.9V116 L117 W118 M119 E138 P142 L160 D162V116-Y140 HydrophobicContact CG1-CD2 4.11Å; V116-Y140 HydrophobicContact CG1-CE2 3.74Å; L117-Y140 PolarHBondContact O-N 2.74Å; W118-Y140 AromaticContact CD1-CD2 3.26Å; W118-Y140 AromaticContact CD1-CE2 3.91Å; W118-Y140 AromaticContact CD1-CG 3.42Å; W118-Y140 VanDerWaalsContact CD1-CG 3.42Å; W118-Y140 HydrophobicContact CD2-CD2 4.38Å; W118-Y140 AromaticContact CE2-CD2 3.97Å; W118-Y140 AromaticContact CE2-CE2 3.93Å; W118-Y140 AromaticContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CD2 4Å; W118-Y140 HydrophobicContact CG-CG 4.37Å; W118-Y140 HydrophobicContact CZ2-CE2 4.41Å; W118-Y140 AromaticContact NE1-CD2 3.2Å; W118-Y140 AromaticContact NE1-CE2 3.31Å; W118-Y140 VanDerWaalsContact NE1-CE2 3.31Å; W118-Y140 AromaticContact NE1-CG 3.68Å; W118-Y140 AromaticContact NE1-CZ 3.88Å; M119-Y140 PolarHBondContact N-O 3.17Å; E138-Y140 HydrophobicContact CB-CD2 4.44Å; E138-Y140 HydrophobicContact CB-CE2 3.67Å; E138-Y140 PolarHBondContact OE2-OH 3.23Å; Y140-P142 WeakPolarHBondContact O-CD 3.27Å; Y140-L160 HydrophobicContact CD1-CD2 3.85Å; Y140-L160 HydrophobicContact CE1-CD1 4.22Å; Y140-L160 HydrophobicContact CE1-CD2 3.41Å; Y140-L160 VanDerWaalsContact CE1-CD2 3.41Å; Y140-L160 HydrophobicContact CE1-CG 4.49Å; Y140-L160 HydrophobicContact CE2-CD2 4.2Å; Y140-L160 HydrophobicContact CG-CD2 4.41Å; Y140-D162 HydrophobicContact CD1-CB 3.88Å; Y140-D162 HydrophobicContact CG-CB 4.48Å
141L94.9Very high92.5Very high0 Ų037.8 Ų37.80%020%0.201CC..  trans-116.737.5179.5-55.9178000113.5M119 L124 L127 L139 N144 V146 D162 L163 N166M119-L141 HydrophobicContact CB-CD2 3.82Å; L124-L141 HydrophobicContact CD2-CD1 4.07Å; L124-L141 HydrophobicContact CD2-CD2 3.75Å; L124-L141 HydrophobicContact CD2-CG 4.48Å; L127-L141 HydrophobicContact CD2-CD1 3.72Å; L139-L141 HydrophobicContact CD1-CD1 4.3Å; L139-L141 HydrophobicContact CD1-CD2 3.93Å; L139-L141 HydrophobicContact CD1-CG 4.01Å; L139-L141 HydrophobicContact CD2-CD1 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.39Å; L139-L141 HydrophobicContact CG-CD1 4.04Å; L139-L141 HydrophobicContact CG-CD2 4.39Å; L139-L141 HydrophobicContact CG-CG 3.9Å; L141-N144 PolarHBondContact O-ND2 3.44Å; L141-V146 HydrophobicContact CD1-CG2 4.47Å; L141-D162 PolarHBondContact N-O 3.09Å; L141-L163 HydrophobicContact CB-CD2 4.28Å; L141-L163 HydrophobicContact CD1-CD2 4.17Å; L141-N166 PolarHBondContact O-ND2 2.83Å
142P94.4Very high92.6Very high11 Ų1135.5 Ų35.57%0.07119%0.185CC..THydrogen-bonded Turntrans-67.6142.5-173.932.2-37.4000111.5S120 H121 Y140 N144 D162 E164S120-P142 WeakPolarHBondContact CA-O 3.41Å; S120-P142 WeakPolarHBondContact OG-CG 3.31Å; H121-P142 PolarHBondContact N-O 2.83Å; Y140-P142 WeakPolarHBondContact O-CD 3.27Å; P142-N144 PolarHBondContact O-ND2 3.14Å; P142-D162 WeakPolarHBondContact CD-OD2 3.29Å; P142-D162 WeakPolarHBondContact CG-OD2 3.35Å; P142-E164 CarbonylContact C-O 3.56Å; P142-E164 VanDerWaalsContact CA-O 3.31Å; P142-E164 WeakPolarHBondContact CA-O 3.31Å; P142-E164 HydrophobicContact CB-CB 3.85Å
143Y93.4Very high92.6Very high113 Ų11335 Ų3544%0.44318%0.184SC..THydrogen-bonded Turntrans57.748.7-178.5-58.8-89.5000114.4H121 E164H121-Y143 WeakPolarHBondContact CE1-CB 3.21Å; H121-Y143 AromaticContact CE1-CD1 3.98Å; H121-Y143 AromaticContact CE1-CD2 3.76Å; H121-Y143 AromaticContact CE1-CG 3.39Å; H121-Y143 WeakPolarHBondContact ND1-CB 3.36Å; H121-Y143 AromaticContact ND1-CG 3.85Å; Y143-E164 HydrophobicContact CE2-CG 4.28Å; Y143-E164 VanDerWaalsContact CE2-OE1 3.29Å; Y143-E164 WeakPolarHBondContact CE2-OE1 3.34Å; Y143-E164 PolarHBondContact N-O 3.4Å; Y143-E164 PolarHBondContact OH-OE1 3.47Å
144N93.6Very high92.4Very high3 Ų341 Ų412%0.01621%0.214CC..  trans-109.7-169.4169.5-74.3-72.7000111.5M119 C122 C123 L124 L141 P142 V146 N166M119-N144 PolarHBondContact O-ND2 2.85Å; C122-N144 VanDerWaalsContact CA-OD1 3.3Å; C122-N144 WeakPolarHBondContact CA-OD1 3.41Å; C122-N144 WeakPolarHBondContact CB-OD1 3.16Å; C122-N144 PolarHBondContact N-OD1 2.78Å; C123-N144 PolarHBondContact N-OD1 3.13Å; C123-N144 VanDerWaalsContact N-OD1 3.09Å; L124-N144 HydrophobicContact CB-CB 4.1Å; L124-N144 WeakPolarHBondContact CB-OD1 3.38Å; L124-N144 PolarHBondContact N-OD1 3.24Å; L141-N144 PolarHBondContact O-ND2 3.44Å; P142-N144 PolarHBondContact O-ND2 3.14Å; N144-V146 HydrophobicContact CB-CG2 4.26Å; N144-N166 WeakPolarHBondContact CA-OD1 3.29Å; N144-N166 VanDerWaalsContact CB-OD1 3.23Å; N144-N166 WeakPolarHBondContact CB-OD1 3.31Å; N144-N166 PolarHBondContact O-OD1 3.12Å
145N93.2Very high92.5Very high70 Ų7036 Ų3637%0.37419%0.187SC..  trans-117.126.9-177.4-67110.3000112.3L124 Q125L124-N145 CarbonylContact O-C 3.6Å; L124-N145 VanDerWaalsContact O-C 3.27Å; L124-N145 WeakPolarHBondContact O-CA 3.45Å; L124-N145 PolarHBondContact O-N 3.29Å; Q125-N145 HydrophobicContact CG-CB 3.76Å
146V93.5Very high92.4Very high0 Ų041.2 Ų41.20%021%0.208CC..  trans-69.8131.8-179.4-177.40000109.9L124 L127 L141 N144 L149 N166 C167 V168L124-V146 HydrophobicContact CD2-CG2 4.32Å; L124-V146 HydrophobicContact CG-CG2 4.32Å; L124-V146 PolarHBondContact O-N 2.88Å; L127-V146 HydrophobicContact CD1-CG1 3.93Å; L127-V146 HydrophobicContact CD2-CG1 4.15Å; L127-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CG-CG1 3.97Å; L141-V146 HydrophobicContact CD1-CG2 4.47Å; N144-V146 HydrophobicContact CB-CG2 4.26Å; V146-L149 HydrophobicContact CG1-CD2 3.86Å; V146-N166 WeakPolarHBondContact CB-OD1 3.37Å; V146-N166 WeakPolarHBondContact CG2-OD1 3.31Å; V146-N166 PolarHBondContact N-OD1 3.31Å; V146-N166 VanDerWaalsContact N-OD1 3.14Å; V146-C167 CarbonylContact O-C 3.3Å; V146-C167 WeakPolarHBondContact O-CA 3.41Å; V146-C167 WeakPolarHBondContact O-CB 3.41Å; V146-C167 PolarHBondContact O-N 3.25Å; V146-V168 PolarHBondContact O-N 3.37Å
147S90.8Very high92.2Very high55 Ų5544.5 Ų44.539%0.38523%0.225SC..  trans-125.6-34.9174.156.90000113.2Q173S147-Q173 WeakPolarHBondContact O-CG 3.46Å
148D91.4Very high92.2Very high50 Ų5041.8 Ų41.827%0.26721%0.214SC..  trans-89.4124.2174.817631.6000111.5S150 Q151 Q173D148-S150 VanDerWaalsContact CG-OG 3.27Å; D148-S150 WeakPolarHBondContact OD1-CB 3.39Å; D148-S150 PolarHBondContact OD1-N 3.21Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; D148-S150 PolarHBondContact OD2-OG 3.36Å; D148-S150 VanDerWaalsContact OD2-OG 3.11Å; D148-Q151 PolarHBondContact OD2-NE2 2.99Å; D148-Q151 VanDerWaalsContact OD2-NE2 3.1Å; D148-Q173 PolarHBondContact OD1-OE1 2.99Å
149L91.6Very high92.1Very high0 Ų044.2 Ų44.20%022%0.22CC..  trans-113.6-0.6178-59.1-177.6000112.7L127 V146 Q151 V152 L163 V168 Q173 L177L127-L149 HydrophobicContact CD1-CD2 4.33Å; V146-L149 HydrophobicContact CG1-CD2 3.86Å; L149-Q151 PolarHBondContact O-N 3.14Å; L149-V152 HydrophobicContact CB-CG2 4.44Å; L149-V152 HydrophobicContact CD2-CG2 4.32Å; L149-V152 WeakPolarHBondContact O-CB 3.36Å; L149-V152 PolarHBondContact O-N 3.28Å; L149-L163 HydrophobicContact CD1-CD1 3.95Å; L149-L163 HydrophobicContact CD2-CD1 3.72Å; L149-L163 HydrophobicContact CD2-CD2 4.24Å; L149-V168 HydrophobicContact CD1-CG1 4.08Å; L149-V168 HydrophobicContact CD1-CG2 4Å; L149-V168 HydrophobicContact CD2-CG2 4.28Å; L149-V168 HydrophobicContact CG-CG2 4.17Å; L149-Q173 HydrophobicContact CB-CB 4.34Å; L149-Q173 HydrophobicContact CD1-CB 4.29Å; L149-Q173 HydrophobicContact CG-CB 4.31Å; L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD1 4.05Å; L149-L177 HydrophobicContact CD1-CD2 4.33Å; L149-L177 HydrophobicContact CD1-CG 4.22Å
150S90.9Very high92.1Very high43 Ų4345.8 Ų45.830%0.30123%0.228SC..THydrogen-bonded Turntrans-53-30.4-178.264.10000113.7D148 A153 Y176D148-S150 VanDerWaalsContact CG-OG 3.27Å; D148-S150 WeakPolarHBondContact OD1-CB 3.39Å; D148-S150 PolarHBondContact OD1-N 3.21Å; D148-S150 PolarHBondContact OD1-OG 3.43Å; D148-S150 PolarHBondContact OD2-OG 3.36Å; D148-S150 VanDerWaalsContact OD2-OG 3.11Å; S150-A153 WeakPolarHBondContact O-CB 3.49Å; S150-Y176 VanDerWaalsContact CA-CD2 3.45Å
151Q88.3Confident92.1Very high42 Ų4243.4 Ų43.420%0.19622%0.219CC..THydrogen-bonded Turntrans-80.3-22.5-176.6-45.2-176.940.100112.7D126 L127 S128 I130 D148 L149 A153 M154D126-Q151 PolarHBondContact OD1-NE2 2.83Å; L127-Q151 HydrophobicContact CB-CB 4.4Å; S128-Q151 VanDerWaalsContact CB-OE1 3.28Å; I130-Q151 HydrophobicContact CG2-CB 4.14Å; D148-Q151 PolarHBondContact OD2-NE2 2.99Å; D148-Q151 VanDerWaalsContact OD2-NE2 3.1Å; L149-Q151 PolarHBondContact O-N 3.14Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.02Å; Q151-M154 PolarHBondContact O-N 2.68Å
152V89.5Confident92.2Very high1 Ų144.4 Ų44.41%0.00622%0.224CC..G310 helixtrans-67.8-28.4176.5-174.90000111.2L127 L149 M154 L155 L158 L161 L177 C180L127-V152 HydrophobicContact CD1-CG2 3.4Å; L149-V152 HydrophobicContact CB-CG2 4.44Å; L149-V152 HydrophobicContact CD2-CG2 4.32Å; L149-V152 WeakPolarHBondContact O-CB 3.36Å; L149-V152 PolarHBondContact O-N 3.28Å; V152-M154 PolarHBondContact O-N 2.67Å; V152-L155 WeakPolarHBondContact O-CB 3.21Å; V152-L155 PolarHBondContact O-N 2.99Å; V152-L158 HydrophobicContact CG1-CD2 3.65Å; V152-L161 HydrophobicContact CG1-CD2 4.05Å; V152-L177 HydrophobicContact CB-CD2 3.98Å; V152-L177 HydrophobicContact CG1-CD2 3.75Å; V152-C180 PolarHBondContact O-SG 3.28Å; V152-C180 VanDerWaalsContact O-SG 3.39Å
153A88.1Confident92.1Very high26 Ų2643.9 Ų43.922%0.21522%0.22CC..G310 helixtrans-56.3-17.9177.600000114.4S150 Q151 L155 L179S150-A153 WeakPolarHBondContact O-CB 3.49Å; Q151-A153 VanDerWaalsContact C-N 3.25Å; Q151-A153 PolarHBondContact O-N 3.02Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L179 HydrophobicContact CB-CB 4.03Å; A153-L179 HydrophobicContact CB-CD1 3.77Å; A153-L179 HydrophobicContact CB-CG 4.48Å
154M87Confident92.2Very high126 Ų12641.3 Ų41.362%0.62121%0.213SC*.G310 helixtrans-78.4-12.3176-60.4-170.469.600113.8S131 Q151 V152 E156S131-M154 WeakPolarHBondContact CB-SD 3.23Å; Q151-M154 PolarHBondContact O-N 2.68Å; V152-M154 PolarHBondContact O-N 2.67Å; M154-E156 PolarHBondContact O-N 3.46Å
155L90.8Very high92.1Very high7 Ų742.4 Ų42.44%0.03722%0.224CC..  trans-87.883.7-176.2-64.3-178.9000112.6I130 L136 V152 A153 N157 L158I130-L155 HydrophobicContact CD1-CD1 3.75Å; I130-L155 HydrophobicContact CG1-CD1 3.92Å; I130-L155 HydrophobicContact CG1-CD2 4.42Å; I130-L155 HydrophobicContact CG1-CG 4.44Å; L136-L155 HydrophobicContact CD2-CD1 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.21Å; V152-L155 PolarHBondContact O-N 2.99Å; A153-L155 VanDerWaalsContact C-N 3.33Å; L155-N157 PolarHBondContact O-N 2.82Å; L155-L158 HydrophobicContact CB-CB 3.87Å; L155-L158 HydrophobicContact CD1-CB 4.45Å; L155-L158 HydrophobicContact CD1-CD1 4.26Å; L155-L158 HydrophobicContact CD1-CD2 4.13Å; L155-L158 PolarHBondContact O-N 2.81Å
156E88.6Confident92.2Very high143 Ų14339.3 Ų39.367%0.66821%0.208SC*.THydrogen-bonded Turntrans-56.3-33.6178-64.3-170.1174.500113.7M154 N182M154-E156 PolarHBondContact O-N 3.46Å; E156-N182 PolarHBondContact O-ND2 2.81Å
157N92.8Very high92.1Very high68 Ų6841.6 Ų41.636%0.36422%0.223SC..THydrogen-bonded Turntrans-89.2-5.5-174-76.7-59.2000115.2D134 L136 L155D134-N157 PolarHBondContact O-ND2 2.87Å; L136-N157 CarbonylContact O-C 3.59Å; L136-N157 VanDerWaalsContact O-C 3.25Å; L155-N157 PolarHBondContact O-N 2.82Å
158L95Very high92.2Very high0 Ų039 Ų390%021%0.205CC..  trans-64.6135.9-175.7-169.767.2000111.6L136 L139 V152 L155 L160 L161 N182 L183L136-L158 HydrophobicContact CD2-CD1 3.69Å; L136-L158 PolarHBondContact O-N 2.8Å; L139-L158 HydrophobicContact CB-CD1 3.9Å; V152-L158 HydrophobicContact CG1-CD2 3.65Å; L155-L158 HydrophobicContact CB-CB 3.87Å; L155-L158 HydrophobicContact CD1-CB 4.45Å; L155-L158 HydrophobicContact CD1-CD1 4.26Å; L155-L158 HydrophobicContact CD1-CD2 4.13Å; L155-L158 PolarHBondContact O-N 2.81Å; L158-L160 WeakPolarHBondContact CD1-O 3.35Å; L158-L161 HydrophobicContact CD2-CB 4.2Å; L158-L161 HydrophobicContact CD2-CD2 4.32Å; L158-N182 CarbonylContact O-C 3.55Å; L158-N182 VanDerWaalsContact O-CB 3.31Å; L158-N182 WeakPolarHBondContact O-CB 3.24Å; L158-L183 HydrophobicContact CD2-CD1 4.3Å; L158-L183 HydrophobicContact CG-CD1 4.26Å; L158-L183 WeakPolarHBondContact O-CA 3.49Å; L158-L183 PolarHBondContact O-N 2.93Å; L158-L183 VanDerWaalsContact O-N 3.1Å
159R95.3Very high92.1Very high120 Ų12038.9 Ų38.945%0.45321%0.205SC..  trans-125.9-37.5-177-61.6176.4-178.1-169.7-4.2112.8K137 N182 Q184 T185K137-R159 WeakPolarHBondContact O-CA 3.47Å; K137-R159 WeakPolarHBondContact O-CB 3.36Å; K137-R159 PolarHBondContact O-N 3.36Å; R159-N182 HydrophobicContact CG-CB 4.4Å; R159-Q184 PolarHBondContact O-N 2.92Å; R159-T185 PolarHBondContact O-N 3.41Å
160L96.1Very high92Very high34 Ų3440.8 Ų40.818%0.17821%0.214CC..EExtended strand (participates in β ladder)trans-125.2128.8176.7-174.4154.1000109.2K137 E138 L139 Y140 L158 D162 T185K137-L160 PolarHBondContact O-N 3.03Å; E138-L160 WeakPolarHBondContact CA-O 3.44Å; E138-L160 HydrophobicContact CB-CB 4.33Å; E138-L160 HydrophobicContact CG-CB 4.12Å; L139-L160 PolarHBondContact N-O 3.37Å; Y140-L160 HydrophobicContact CD1-CD2 3.85Å; Y140-L160 HydrophobicContact CE1-CD1 4.22Å; Y140-L160 HydrophobicContact CE1-CD2 3.41Å; Y140-L160 VanDerWaalsContact CE1-CD2 3.41Å; Y140-L160 HydrophobicContact CE1-CG 4.49Å; Y140-L160 HydrophobicContact CE2-CD2 4.2Å; Y140-L160 HydrophobicContact CG-CD2 4.41Å; L158-L160 WeakPolarHBondContact CD1-O 3.35Å; L160-D162 HydrophobicContact CD2-CB 4.21Å; L160-T185 WeakPolarHBondContact CA-O 3.38Å; L160-T185 HydrophobicContact CD1-CG2 4.04Å; L160-T185 HydrophobicContact CG-CG2 4Å
161L95.8Very high91.9Very high0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-128.4112.4173.4179.156.1000109.4L139 V152 L158 L163 L177 L183 T185 L186 T187L139-L161 HydrophobicContact CB-CD1 4.04Å; L139-L161 HydrophobicContact CD2-CD1 3.75Å; L139-L161 HydrophobicContact CG-CD1 4.05Å; V152-L161 HydrophobicContact CG1-CD2 4.05Å; L158-L161 HydrophobicContact CD2-CB 4.2Å; L158-L161 HydrophobicContact CD2-CD2 4.32Å; L161-L163 HydrophobicContact CD1-CD1 4.2Å; L161-L163 HydrophobicContact CD1-CD2 4.38Å; L161-L163 HydrophobicContact CD1-CG 3.95Å; L161-L163 HydrophobicContact CD2-CD1 3.8Å; L161-L163 HydrophobicContact CD2-CG 4.44Å; L161-L163 HydrophobicContact CG-CD1 3.86Å; L161-L163 HydrophobicContact CG-CG 3.96Å; L161-L177 HydrophobicContact CD2-CD1 3.94Å; L161-L177 HydrophobicContact CD2-CD2 3.5Å; L161-L177 HydrophobicContact CD2-CG 4.37Å; L161-L183 HydrophobicContact CB-CD1 3.89Å; L161-T185 PolarHBondContact N-O 3.14Å; L161-L186 HydrophobicContact CB-CD1 3.99Å; L161-L186 HydrophobicContact CD2-CD1 3.91Å; L161-L186 HydrophobicContact CG-CD1 3.91Å; L161-L186 CarbonylContact O-C 3.19Å; L161-L186 VanDerWaalsContact O-CA 3.29Å; L161-L186 WeakPolarHBondContact O-CA 3.47Å; L161-T187 PolarHBondContact O-N 3.14Å
162D95.6Very high92Very high20 Ų2042.5 Ų42.511%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-105.5117172.9165.529.4000109.7L139 Y140 L141 P142 L160 E164L139-D162 PolarHBondContact O-N 2.86Å; Y140-D162 HydrophobicContact CD1-CB 3.88Å; Y140-D162 HydrophobicContact CG-CB 4.48Å; L141-D162 PolarHBondContact N-O 3.09Å; P142-D162 WeakPolarHBondContact CD-OD2 3.29Å; P142-D162 WeakPolarHBondContact CG-OD2 3.35Å; L160-D162 HydrophobicContact CD2-CB 4.21Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 2.75Å
163L94.3Very high92.1Very high0 Ų044.3 Ų44.30%023%0.229CC..  trans-123.525.4178.8-70.6166.4000110.8L141 L149 L161 G165 N166 T187 L188 N191L141-L163 HydrophobicContact CB-CD2 4.28Å; L141-L163 HydrophobicContact CD1-CD2 4.17Å; L149-L163 HydrophobicContact CD1-CD1 3.95Å; L149-L163 HydrophobicContact CD2-CD1 3.72Å; L149-L163 HydrophobicContact CD2-CD2 4.24Å; L161-L163 HydrophobicContact CD1-CD1 4.2Å; L161-L163 HydrophobicContact CD1-CD2 4.38Å; L161-L163 HydrophobicContact CD1-CG 3.95Å; L161-L163 HydrophobicContact CD2-CD1 3.8Å; L161-L163 HydrophobicContact CD2-CG 4.44Å; L161-L163 HydrophobicContact CG-CD1 3.86Å; L161-L163 HydrophobicContact CG-CG 3.96Å; L163-G165 PolarHBondContact O-N 2.98Å; L163-N166 VanDerWaalsContact C-ND2 3.32Å; L163-N166 WeakPolarHBondContact O-CB 3.21Å; L163-N166 PolarHBondContact O-N 2.92Å; L163-N166 PolarHBondContact O-ND2 2.94Å; L163-T187 CarbonylContact C-O 3.55Å; L163-T187 WeakPolarHBondContact CA-O 3.45Å; L163-T187 WeakPolarHBondContact CB-O 3.19Å; L163-T187 PolarHBondContact N-O 3.31Å; L163-L188 HydrophobicContact CB-CD2 3.89Å; L163-L188 HydrophobicContact CD1-CD2 3.91Å; L163-N191 PolarHBondContact O-ND2 2.84Å
164E94.8Very high92.2Very high60 Ų6043.1 Ų43.128%0.2822%0.219SC..THydrogen-bonded Turntrans-47.2134.5177.7-167.8-165.3156.400111.2P142 Y143 D162 N166 T187 E189P142-E164 CarbonylContact C-O 3.56Å; P142-E164 VanDerWaalsContact CA-O 3.31Å; P142-E164 WeakPolarHBondContact CA-O 3.31Å; P142-E164 HydrophobicContact CB-CB 3.85Å; Y143-E164 HydrophobicContact CE2-CG 4.28Å; Y143-E164 VanDerWaalsContact CE2-OE1 3.29Å; Y143-E164 WeakPolarHBondContact CE2-OE1 3.34Å; Y143-E164 PolarHBondContact N-O 3.4Å; Y143-E164 PolarHBondContact OH-OE1 3.47Å; D162-E164 WeakPolarHBondContact OD1-CB 3.4Å; D162-E164 PolarHBondContact OD1-N 2.75Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-ND2 3.1Å; E164-N166 VanDerWaalsContact O-ND2 3.09Å; E164-T187 HydrophobicContact CB-CG2 4.18Å; E164-E189 CarbonylContact C-O 3.56Å; E164-E189 WeakPolarHBondContact CA-O 3.31Å
165G91.5Very high92.4Very high25 Ų2542.4 Ų42.426%0.25821%0.214SC..THydrogen-bonded Turntrans64.425.5172.400000116.4L163 E189L163-G165 PolarHBondContact O-N 2.98Å; G165-E189 PolarHBondContact N-O 3.45Å
166N94.7Very high92.5Very high6 Ų645.9 Ų45.93%0.03223%0.227CC..  trans-90.1-173.5177-83.4-92.1000113.5L141 N144 V146 L163 E164 N191 P192L141-N166 PolarHBondContact O-ND2 2.83Å; N144-N166 WeakPolarHBondContact CA-OD1 3.29Å; N144-N166 VanDerWaalsContact CB-OD1 3.23Å; N144-N166 WeakPolarHBondContact CB-OD1 3.31Å; N144-N166 PolarHBondContact O-OD1 3.12Å; V146-N166 WeakPolarHBondContact CB-OD1 3.37Å; V146-N166 WeakPolarHBondContact CG2-OD1 3.31Å; V146-N166 PolarHBondContact N-OD1 3.31Å; V146-N166 VanDerWaalsContact N-OD1 3.14Å; L163-N166 VanDerWaalsContact C-ND2 3.32Å; L163-N166 WeakPolarHBondContact O-CB 3.21Å; L163-N166 PolarHBondContact O-N 2.92Å; L163-N166 PolarHBondContact O-ND2 2.94Å; E164-N166 VanDerWaalsContact C-N 3.32Å; E164-N166 PolarHBondContact O-N 3.3Å; E164-N166 PolarHBondContact O-ND2 3.1Å; E164-N166 VanDerWaalsContact O-ND2 3.09Å; N166-N191 WeakPolarHBondContact CA-OD1 3.36Å; N166-N191 WeakPolarHBondContact CB-OD1 3.42Å; N166-N191 PolarHBondContact O-OD1 3.19Å; N166-P192 WeakPolarHBondContact O-CD 3.49Å
167C92.5Very high92.6Very high47 Ų4739.1 Ų39.132%0.31820%0.196SC..  trans-104.920.5-173.9-64.40000114.2V146 D169V146-C167 CarbonylContact O-C 3.3Å; V146-C167 WeakPolarHBondContact O-CA 3.41Å; V146-C167 WeakPolarHBondContact O-CB 3.41Å; V146-C167 PolarHBondContact O-N 3.25Å; C167-D169 PolarHBondContact O-N 3.18Å
168V92.1Very high92.3Very high0 Ų037 Ų370%019%0.19CC..  trans-70.6118.7179.8-173.70000110.1V146 L149 Q173 N191 P192 V193V146-V168 PolarHBondContact O-N 3.37Å; L149-V168 HydrophobicContact CD1-CG1 4.08Å; L149-V168 HydrophobicContact CD1-CG2 4Å; L149-V168 HydrophobicContact CD2-CG2 4.28Å; L149-V168 HydrophobicContact CG-CG2 4.17Å; V168-Q173 HydrophobicContact CG1-CB 3.92Å; V168-N191 HydrophobicContact CB-CB 4.47Å; V168-N191 WeakPolarHBondContact CB-OD1 3.46Å; V168-N191 WeakPolarHBondContact CG2-OD1 3.22Å; V168-N191 PolarHBondContact N-OD1 3.21Å; V168-N191 VanDerWaalsContact N-OD1 3.16Å; V168-P192 VanDerWaalsContact O-CD 3.24Å; V168-P192 WeakPolarHBondContact O-CD 3.45Å; V168-V193 HydrophobicContact CB-CG1 4.26Å; V168-V193 HydrophobicContact CG1-CB 4.46Å; V168-V193 HydrophobicContact CG1-CG1 4.06Å; V168-V193 WeakPolarHBondContact O-CB 3.39Å; V168-V193 WeakPolarHBondContact O-CG1 3.26Å; V168-V193 PolarHBondContact O-N 3.24Å
169D89.9Confident92.1Very high49 Ų4942.5 Ų42.526%0.26222%0.219SC..  trans-125.80.3-170.575.6-27.9000116.7C167 P192 R196 N198 P199C167-D169 PolarHBondContact O-N 3.18Å; D169-P192 HydrophobicContact CB-CB 3.64Å; D169-P192 HydrophobicContact CB-CG 4.14Å; D169-R196 IonicContact OD2-NH2 2.68Å; D169-N198 CarbonylContact O-C 3.25Å; D169-P199 WeakPolarHBondContact O-CD 3.49Å; D169-P199 WeakPolarHBondContact OD2-CB 3.49Å
170D89.8Confident91.9Very high39 Ų3936.8 Ų36.821%0.20920%0.197CC..  trans-131.3134.7177.2-161.1-38.8000111.7I172 Q173D170-I172 PolarHBondContact O-N 3.22Å; D170-I172 WeakPolarHBondContact OD1-CG1 3.3Å; D170-I172 PolarHBondContact OD1-N 3.14Å; D170-Q173 WeakPolarHBondContact O-CB 3.42Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact O-N 3.09Å
171L87.7Confident91.5Very high31 Ų3139.2 Ų39.216%0.16222%0.215CC..Hα-helixtrans-58.5-26.2172.2-79.3172.8000113.4Q173 I174 Q175 V193 P197 Y207 A212 L216L171-Q173 PolarHBondContact O-N 2.85Å; L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.33Å; L171-I174 PolarHBondContact O-N 3.02Å; L171-Q175 PolarHBondContact O-N 2.92Å; L171-Q175 VanDerWaalsContact O-N 3.1Å; L171-V193 HydrophobicContact CD2-CG2 4.03Å; L171-V193 HydrophobicContact CG-CG2 4.14Å; L171-P197 WeakPolarHBondContact CB-O 3.13Å; L171-P197 HydrophobicContact CD1-CB 3.49Å; L171-P197 VanDerWaalsContact CD1-CB 3.49Å; L171-P197 HydrophobicContact CG-CB 4.26Å; L171-P197 VanDerWaalsContact CG-O 3.31Å; L171-P197 WeakPolarHBondContact CG-O 3.47Å; L171-P197 PolarHBondContact N-O 3.44Å; L171-Y207 HydrophobicContact CD1-CE2 4.34Å; L171-A212 HydrophobicContact CD1-CB 3.92Å; L171-A212 HydrophobicContact CD2-CB 3.91Å; L171-L216 HydrophobicContact CB-CD1 4.06Å; L171-L216 HydrophobicContact CD2-CD1 3.88Å; L171-L216 HydrophobicContact CG-CD1 4.48Å
172I90.3Very high91.3Very high91 Ų9142.3 Ų42.347%0.46723%0.231SC..Hα-helixtrans-57-35174.1-64.6171.1000110.6D170 I174 Q175 Y176D170-I172 PolarHBondContact O-N 3.22Å; D170-I172 WeakPolarHBondContact OD1-CG1 3.3Å; D170-I172 PolarHBondContact OD1-N 3.14Å; I172-I174 VanDerWaalsContact C-N 3.31Å; I172-I174 PolarHBondContact O-N 3.36Å; I172-Q175 WeakPolarHBondContact O-CB 3.36Å; I172-Q175 PolarHBondContact O-N 3.39Å; I172-Y176 HydrophobicContact CG2-CE2 4.41Å
173Q91.3Very high91.2Very high39 Ų3941.3 Ų41.318%0.18223%0.226CC..Hα-helixtrans-67.7-32.4176.7-65.5-65.7-11.600112.6S147 D148 L149 V168 D170 L171 Q175 Y176S147-Q173 WeakPolarHBondContact O-CG 3.46Å; D148-Q173 PolarHBondContact OD1-OE1 2.99Å; L149-Q173 HydrophobicContact CB-CB 4.34Å; L149-Q173 HydrophobicContact CD1-CB 4.29Å; L149-Q173 HydrophobicContact CG-CB 4.31Å; V168-Q173 HydrophobicContact CG1-CB 3.92Å; D170-Q173 WeakPolarHBondContact O-CB 3.42Å; D170-Q173 PolarHBondContact O-N 3.25Å; D170-Q173 VanDerWaalsContact O-N 3.09Å; L171-Q173 PolarHBondContact O-N 2.85Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Y176 PolarHBondContact O-N 3Å
174I91.4Very high91.2Very high0 Ų043.8 Ų43.80%024%0.238CC..Hα-helixtrans-73.1-29.3175.5-59.8-173.4000111.1L171 I172 Y176 L177 G178 L188 V193 Y209 V213 L216 V217L171-I174 HydrophobicContact CD2-CD1 4.22Å; L171-I174 WeakPolarHBondContact O-CB 3.33Å; L171-I174 PolarHBondContact O-N 3.02Å; I172-I174 VanDerWaalsContact C-N 3.31Å; I172-I174 PolarHBondContact O-N 3.36Å; I174-Y176 PolarHBondContact O-N 3.16Å; I174-L177 WeakPolarHBondContact O-CB 3.33Å; I174-L177 PolarHBondContact O-N 2.87Å; I174-G178 PolarHBondContact O-N 3.36Å; I174-L188 HydrophobicContact CD1-CD1 3.61Å; I174-L188 HydrophobicContact CG1-CD1 4.2Å; I174-V193 HydrophobicContact CD1-CG1 3.93Å; I174-V193 HydrophobicContact CD1-CG2 3.84Å; I174-Y209 HydrophobicContact CD1-CE2 4.19Å; I174-V213 HydrophobicContact CD1-CG2 3.66Å; I174-V213 HydrophobicContact CG2-CB 4.5Å; I174-V213 HydrophobicContact CG2-CG1 4.04Å; I174-V213 HydrophobicContact CG2-CG2 4.17Å; I174-L216 HydrophobicContact CB-CD1 4.26Å; I174-L216 HydrophobicContact CG2-CB 4.37Å; I174-L216 HydrophobicContact CG2-CD1 4.26Å; I174-V217 HydrophobicContact CG2-CG2 3.77Å
175Q90.9Very high91.2Very high112 Ų11242.3 Ų42.352%0.52323%0.233SC..Hα-helixtrans-58.7-32.5175.4-166175.833.700112.5L171 I172 Q173 L177 G178 L216L171-Q175 PolarHBondContact O-N 2.92Å; L171-Q175 VanDerWaalsContact O-N 3.1Å; I172-Q175 WeakPolarHBondContact O-CB 3.36Å; I172-Q175 PolarHBondContact O-N 3.39Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 2.92Å; Q175-G178 PolarHBondContact O-N 3.45Å; Q175-G178 VanDerWaalsContact O-N 3.1Å; Q175-L216 HydrophobicContact CB-CD2 4.16Å; Q175-L216 HydrophobicContact CG-CD2 4.12Å
176Y91.6Very high91.3Very high80 Ų8041.1 Ų41.131%0.31422%0.22SC..Hα-helixtrans-65.2-31.2174.2-60.6-56.4000113.1S150 I172 Q173 I174 G178 L179S150-Y176 VanDerWaalsContact CA-CD2 3.45Å; I172-Y176 HydrophobicContact CG2-CE2 4.41Å; Q173-Y176 PolarHBondContact O-N 3Å; I174-Y176 PolarHBondContact O-N 3.16Å; Y176-G178 PolarHBondContact O-N 2.54Å; Y176-L179 HydrophobicContact CD1-CD1 4.42Å; Y176-L179 WeakPolarHBondContact O-CB 3.2Å; Y176-L179 PolarHBondContact O-N 2.81Å; Y176-L179 VanDerWaalsContact O-N 3.14Å
177L90.9Very high91.3Very high0 Ų041.9 Ų41.90%023%0.225CC..Hα-helixtrans-68.1-25.5173.3-55.1-176.9000112.2L149 V152 L161 I174 Q175 L179 C180 L183 L186 V217L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD1 4.05Å; L149-L177 HydrophobicContact CD1-CD2 4.33Å; L149-L177 HydrophobicContact CD1-CG 4.22Å; V152-L177 HydrophobicContact CB-CD2 3.98Å; V152-L177 HydrophobicContact CG1-CD2 3.75Å; L161-L177 HydrophobicContact CD2-CD1 3.94Å; L161-L177 HydrophobicContact CD2-CD2 3.5Å; L161-L177 HydrophobicContact CD2-CG 4.37Å; I174-L177 WeakPolarHBondContact O-CB 3.33Å; I174-L177 PolarHBondContact O-N 2.87Å; Q175-L177 VanDerWaalsContact C-N 3.31Å; Q175-L177 PolarHBondContact O-N 2.92Å; L177-L179 PolarHBondContact O-N 3.37Å; L177-C180 WeakPolarHBondContact O-CB 3.49Å; L177-C180 PolarHBondContact O-N 3.34Å; L177-C180 VanDerWaalsContact O-N 3.09Å; L177-L183 HydrophobicContact CB-CD2 4.03Å; L177-L186 HydrophobicContact CD1-CD1 3.77Å; L177-L186 HydrophobicContact CD1-CD2 3.76Å; L177-L186 HydrophobicContact CD1-CG 4.45Å; L177-V217 HydrophobicContact CB-CG2 4.15Å
178G87.6Confident91.3Very high23 Ų2339.6 Ų39.624%0.23721%0.21CC..THydrogen-bonded Turntrans-60.6-20.3171.300000113.5I174 Q175 Y176 L216 Q219I174-G178 PolarHBondContact O-N 3.36Å; Q175-G178 PolarHBondContact O-N 3.45Å; Q175-G178 VanDerWaalsContact O-N 3.1Å; Y176-G178 PolarHBondContact O-N 2.54Å; G178-L216 WeakPolarHBondContact CA-O 3.43Å; G178-Q219 PolarHBondContact O-NE2 2.68Å
179L90Very high91.2Very high116 Ų11645.7 Ų45.761%0.60724%0.238SC*.THydrogen-bonded Turntrans-79.2-18.3175.6-57.7173.6000113.3A153 Y176 L177 P181A153-L179 HydrophobicContact CB-CB 4.03Å; A153-L179 HydrophobicContact CB-CD1 3.77Å; A153-L179 HydrophobicContact CB-CG 4.48Å; Y176-L179 HydrophobicContact CD1-CD1 4.42Å; Y176-L179 WeakPolarHBondContact O-CB 3.2Å; Y176-L179 PolarHBondContact O-N 2.81Å; Y176-L179 VanDerWaalsContact O-N 3.14Å; L177-L179 PolarHBondContact O-N 3.37Å; L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.45Å
180C91.3Very high91.1Very high0 Ų045.4 Ų45.40%025%0.248CC..  trans-80.3106.3-179-60.70000111V152 L177 N182 L183 Q219V152-C180 PolarHBondContact O-SG 3.28Å; V152-C180 VanDerWaalsContact O-SG 3.39Å; L177-C180 WeakPolarHBondContact O-CB 3.49Å; L177-C180 PolarHBondContact O-N 3.34Å; L177-C180 VanDerWaalsContact O-N 3.09Å; C180-N182 VanDerWaalsContact C-N 3.34Å; C180-N182 PolarHBondContact O-N 3.11Å; C180-L183 HydrophobicContact CB-CB 3.96Å; C180-L183 HydrophobicContact CB-CD2 4.48Å; C180-L183 PolarHBondContact O-N 3.11Å; C180-Q219 PolarHBondContact O-NE2 2.73Å
181P87.9Confident91.2Very high85 Ų8543.6 Ų43.655%0.55224%0.238SC*.THydrogen-bonded Turntrans-74.5-21.3-166.330.7-36.4000114.2L179L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.45Å
182N92.1Very high91.3Very high65 Ų6544.1 Ų44.135%0.34824%0.243SC..THydrogen-bonded Turntrans-99.8-2.2-177.1-76.6-71.2000114.2E156 L158 R159 C180 Q184E156-N182 PolarHBondContact O-ND2 2.81Å; L158-N182 CarbonylContact O-C 3.55Å; L158-N182 VanDerWaalsContact O-CB 3.31Å; L158-N182 WeakPolarHBondContact O-CB 3.24Å; R159-N182 HydrophobicContact CG-CB 4.4Å; C180-N182 VanDerWaalsContact C-N 3.34Å; C180-N182 PolarHBondContact O-N 3.11Å; N182-Q184 WeakPolarHBondContact O-CG 3.49Å; N182-Q184 PolarHBondContact O-N 2.86Å; N182-Q184 PolarHBondContact O-NE2 2.8Å
183L93.9Very high91.2Very high0 Ų039.8 Ų39.80%022%0.221CC..  trans-67.4122.3-173.8-175.164000110.9L158 L161 L177 C180 V217 Q219 L220L158-L183 HydrophobicContact CD2-CD1 4.3Å; L158-L183 HydrophobicContact CG-CD1 4.26Å; L158-L183 WeakPolarHBondContact O-CA 3.49Å; L158-L183 PolarHBondContact O-N 2.93Å; L158-L183 VanDerWaalsContact O-N 3.1Å; L161-L183 HydrophobicContact CB-CD1 3.89Å; L177-L183 HydrophobicContact CB-CD2 4.03Å; C180-L183 HydrophobicContact CB-CB 3.96Å; C180-L183 HydrophobicContact CB-CD2 4.48Å; C180-L183 PolarHBondContact O-N 3.11Å; L183-V217 HydrophobicContact CD2-CG1 4.28Å; L183-Q219 WeakPolarHBondContact O-CG 3.44Å; L183-L220 HydrophobicContact CG-CD1 4.31Å
184Q93Very high91Very high51 Ų5139.5 Ų39.524%0.23822%0.223CC..  trans-124.9-31.7-171.9-75.9164.672.400113.1R159 N182 L220 R221 Y222R159-Q184 PolarHBondContact O-N 2.92Å; N182-Q184 WeakPolarHBondContact O-CG 3.49Å; N182-Q184 PolarHBondContact O-N 2.86Å; N182-Q184 PolarHBondContact O-NE2 2.8Å; Q184-L220 WeakPolarHBondContact O-CD1 3.33Å; Q184-R221 HydrophobicContact CB-CB 4.39Å; Q184-R221 HydrophobicContact CB-CG 4.25Å; Q184-R221 HydrophobicContact CG-CG 4.12Å; Q184-R221 CarbonylContact O-C 3.33Å; Q184-R221 WeakPolarHBondContact O-CA 3.38Å; Q184-R221 WeakPolarHBondContact O-CB 3.46Å; Q184-R221 PolarHBondContact O-N 2.92Å; Q184-Y222 PolarHBondContact O-N 2.66Å
185T94.5Very high90.7Very high29 Ų2945.9 Ų45.918%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-125.4129.2177.7-600000109.3R159 L160 L161 Y222R159-T185 PolarHBondContact O-N 3.41Å; L160-T185 WeakPolarHBondContact CA-O 3.38Å; L160-T185 HydrophobicContact CD1-CG2 4.04Å; L160-T185 HydrophobicContact CG-CG2 4Å; L161-T185 PolarHBondContact N-O 3.14Å; T185-Y222 WeakPolarHBondContact CA-O 3.33Å
186L95.2Very high90.4Very high0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-134.9126.1178.5177.959.6000108.7L161 L177 L188 V213 L220 Y222 L223 D224L161-L186 HydrophobicContact CB-CD1 3.99Å; L161-L186 HydrophobicContact CD2-CD1 3.91Å; L161-L186 HydrophobicContact CG-CD1 3.91Å; L161-L186 CarbonylContact O-C 3.19Å; L161-L186 VanDerWaalsContact O-CA 3.29Å; L161-L186 WeakPolarHBondContact O-CA 3.47Å; L177-L186 HydrophobicContact CD1-CD1 3.77Å; L177-L186 HydrophobicContact CD1-CD2 3.76Å; L177-L186 HydrophobicContact CD1-CG 4.45Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CG 4.03Å; L186-L188 HydrophobicContact CD2-CD1 3.72Å; L186-L188 HydrophobicContact CD2-CG 4.46Å; L186-L188 HydrophobicContact CG-CD1 3.88Å; L186-L188 HydrophobicContact CG-CG 4.09Å; L186-V213 HydrophobicContact CD2-CG1 4.14Å; L186-L220 HydrophobicContact CB-CD1 3.56Å; L186-L220 HydrophobicContact CB-CD2 3.92Å; L186-L220 HydrophobicContact CB-CG 4.39Å; L186-L220 HydrophobicContact CD2-CD2 4.27Å; L186-Y222 PolarHBondContact N-O 3.4Å; L186-L223 HydrophobicContact CB-CD1 4.36Å; L186-L223 HydrophobicContact CD2-CD1 4.31Å; L186-L223 HydrophobicContact CG-CD1 4.26Å; L186-L223 CarbonylContact O-C 3.59Å; L186-L223 VanDerWaalsContact O-CA 3.31Å; L186-L223 WeakPolarHBondContact O-CA 3.31Å; L186-D224 PolarHBondContact O-N 2.99Å
187T94.3Very high89.9Confident22 Ų2241.6 Ų41.614%0.13523%0.234CC..EExtended strand (participates in β ladder)trans-115.4124.6171-60.80000108.8L161 L163 E164L161-T187 PolarHBondContact O-N 3.14Å; L163-T187 CarbonylContact C-O 3.55Å; L163-T187 WeakPolarHBondContact CA-O 3.45Å; L163-T187 WeakPolarHBondContact CB-O 3.19Å; L163-T187 PolarHBondContact N-O 3.31Å; E164-T187 HydrophobicContact CB-CG2 4.18Å
188L92Very high89.5Confident0 Ų044.4 Ų44.40%025%0.249CC..  trans-133.68.8-178.2-85168.7000111.7L163 I174 L186 N191 S194 Y209 D224L163-L188 HydrophobicContact CB-CD2 3.89Å; L163-L188 HydrophobicContact CD1-CD2 3.91Å; I174-L188 HydrophobicContact CD1-CD1 3.61Å; I174-L188 HydrophobicContact CG1-CD1 4.2Å; L186-L188 HydrophobicContact CD1-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CG 4.03Å; L186-L188 HydrophobicContact CD2-CD1 3.72Å; L186-L188 HydrophobicContact CD2-CG 4.46Å; L186-L188 HydrophobicContact CG-CD1 3.88Å; L186-L188 HydrophobicContact CG-CG 4.09Å; L188-N191 WeakPolarHBondContact O-CB 3.34Å; L188-N191 PolarHBondContact O-N 3.12Å; L188-N191 PolarHBondContact O-ND2 3.09Å; L188-S194 PolarHBondContact O-OG 3.1Å; L188-Y209 WeakPolarHBondContact CB-OH 3.4Å; L188-Y209 VanDerWaalsContact CD1-OH 3.3Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.42Å; L188-D224 PolarHBondContact N-OD1 2.79Å
189E90.9Very high89.1Confident127 Ų12746 Ų4659%0.59326%0.255SS*.THydrogen-bonded Turntrans-49.2144.4173.4-178.4161.8-174.200111.9E164 G165 N191 D224E164-E189 CarbonylContact C-O 3.56Å; E164-E189 WeakPolarHBondContact CA-O 3.31Å; G165-E189 PolarHBondContact N-O 3.45Å; E189-N191 PolarHBondContact O-N 3.2Å; E189-N191 PolarHBondContact O-ND2 2.85Å; E189-D224 HydrophobicContact CB-CB 4.44Å; E189-D224 PolarHBondContact N-OD1 3.04Å
190G86.9Confident88.4Confident44 Ų4445 Ų4545%0.45426%0.264SS..THydrogen-bonded Turntrans81.5-18.6-17800000115.8
191N92.1Very high87.5Confident0 Ų046.3 Ų46.30%027%0.273CS..SBendtrans-68.7152.4-179-75-96.3000112.7L163 N166 V168 L188 E189 V193 S194L163-N191 PolarHBondContact O-ND2 2.84Å; N166-N191 WeakPolarHBondContact CA-OD1 3.36Å; N166-N191 WeakPolarHBondContact CB-OD1 3.42Å; N166-N191 PolarHBondContact O-OD1 3.19Å; V168-N191 HydrophobicContact CB-CB 4.47Å; V168-N191 WeakPolarHBondContact CB-OD1 3.46Å; V168-N191 WeakPolarHBondContact CG2-OD1 3.22Å; V168-N191 PolarHBondContact N-OD1 3.21Å; V168-N191 VanDerWaalsContact N-OD1 3.16Å; L188-N191 WeakPolarHBondContact O-CB 3.34Å; L188-N191 PolarHBondContact O-N 3.12Å; L188-N191 PolarHBondContact O-ND2 3.09Å; E189-N191 PolarHBondContact O-N 3.2Å; E189-N191 PolarHBondContact O-ND2 2.85Å; N191-V193 VanDerWaalsContact C-N 3.29Å; N191-V193 HydrophobicContact CB-CG1 3.95Å; N191-V193 PolarHBondContact O-N 2.89Å; N191-S194 WeakPolarHBondContact O-CB 3.33Å; N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 PolarHBondContact O-OG 3.21Å
192P88.5Confident86.6Confident43 Ų4347.5 Ų47.528%0.27928%0.281SS..G310 helixtrans-57.3-35.7172.1-24.531.3000114.5N166 V168 D169 S194 K195 R196N166-P192 WeakPolarHBondContact O-CD 3.49Å; V168-P192 VanDerWaalsContact O-CD 3.24Å; V168-P192 WeakPolarHBondContact O-CD 3.45Å; D169-P192 HydrophobicContact CB-CB 3.64Å; D169-P192 HydrophobicContact CB-CG 4.14Å; P192-S194 PolarHBondContact O-N 3.37Å; P192-K195 PolarHBondContact O-N 3.21Å; P192-R196 PolarHBondContact O-N 3.06Å
193V89.1Confident85.2Confident0 Ų051.9 Ų51.90%030%0.299CS..G310 helixtrans-63.3-17.917969.70000113.8V168 L171 I174 N191 K195 R196 Y207 Y209V168-V193 HydrophobicContact CB-CG1 4.26Å; V168-V193 HydrophobicContact CG1-CB 4.46Å; V168-V193 HydrophobicContact CG1-CG1 4.06Å; V168-V193 WeakPolarHBondContact O-CB 3.39Å; V168-V193 WeakPolarHBondContact O-CG1 3.26Å; V168-V193 PolarHBondContact O-N 3.24Å; L171-V193 HydrophobicContact CD2-CG2 4.03Å; L171-V193 HydrophobicContact CG-CG2 4.14Å; I174-V193 HydrophobicContact CD1-CG1 3.93Å; I174-V193 HydrophobicContact CD1-CG2 3.84Å; N191-V193 VanDerWaalsContact C-N 3.29Å; N191-V193 HydrophobicContact CB-CG1 3.95Å; N191-V193 PolarHBondContact O-N 2.89Å; V193-K195 PolarHBondContact O-N 3.14Å; V193-R196 CarbonylContact C-O 3.51Å; V193-R196 WeakPolarHBondContact CA-O 3.39Å; V193-R196 VanDerWaalsContact O-O 3.12Å; V193-Y207 VanDerWaalsContact O-CE1 3.25Å; V193-Y207 WeakPolarHBondContact O-CE1 3.49Å; V193-Y207 PolarHBondContact O-OH 3.42Å; V193-Y209 HydrophobicContact CG1-CE2 4.35Å; V193-Y209 WeakPolarHBondContact O-CD2 3.42Å
194S86.8Confident83.5Confident33 Ų3354.6 Ų54.623%0.23132%0.321CS..G310 helixtrans-73.8-13.1171.7-44.50000113.4L188 N191 P192L188-S194 PolarHBondContact O-OG 3.1Å; N191-S194 WeakPolarHBondContact O-CB 3.33Å; N191-S194 PolarHBondContact O-N 3.33Å; N191-S194 PolarHBondContact O-OG 3.21Å; P192-S194 PolarHBondContact O-N 3.37Å
195K85.9Confident82Confident133 Ų13362.2 Ų62.258%0.57836%0.357SS*.THydrogen-bonded Turntrans-114.3-17.5-174.8-63.1168.4-175.6158.80113.7P192 V193P192-K195 PolarHBondContact O-N 3.21Å; V193-K195 PolarHBondContact O-N 3.14Å
196R83.4Confident80.9Confident68 Ų6869.7 Ų69.726%0.25739%0.39SS..  trans-156.8147.9178.261.5-176-179166.86.2110.1D169 P192 V193 N198 P199 Y207D169-R196 IonicContact OD2-NH2 2.68Å; P192-R196 PolarHBondContact O-N 3.06Å; V193-R196 CarbonylContact C-O 3.51Å; V193-R196 WeakPolarHBondContact CA-O 3.39Å; V193-R196 VanDerWaalsContact O-O 3.12Å; R196-N198 WeakPolarHBondContact CD-O 3.36Å; R196-P199 VanDerWaalsContact CZ-CA 3.44Å; R196-P199 PolarHBondContact NH1-O 3.36Å; R196-Y207 VanDerWaalsContact C-CE1 3.4Å
197P81.8Confident80.3Confident34 Ų3471.9 Ų71.922%0.22140%0.398CS..SBendtrans-70-30.5-179.526-34.5000114L171 S201 Y207L171-P197 WeakPolarHBondContact CB-O 3.13Å; L171-P197 HydrophobicContact CD1-CB 3.49Å; L171-P197 VanDerWaalsContact CD1-CB 3.49Å; L171-P197 HydrophobicContact CG-CB 4.26Å; L171-P197 VanDerWaalsContact CG-O 3.31Å; L171-P197 WeakPolarHBondContact CG-O 3.47Å; L171-P197 PolarHBondContact N-O 3.44Å; P197-S201 WeakPolarHBondContact CD-OG 3.43Å; P197-Y207 HydrophobicContact CB-CD2 4.26Å; P197-Y207 HydrophobicContact CB-CE2 3.72Å; P197-Y207 HydrophobicContact CG-CD2 4.32Å; P197-Y207 HydrophobicContact CG-CE2 4.27Å
198N82.7Confident79.9Confident60 Ų6075.8 Ų75.832%0.32142%0.418SS..SBendtrans-154.3164.1-179.967.833.7000110.8D169 R196 A200 S201D169-N198 CarbonylContact O-C 3.25Å; R196-N198 WeakPolarHBondContact CD-O 3.36Å; N198-A200 VanDerWaalsContact C-N 3.28Å; N198-A200 PolarHBondContact O-N 3.23Å; N198-A200 PolarHBondContact OD1-N 2.98Å; N198-S201 PolarHBondContact O-N 3.39Å; N198-S201 PolarHBondContact O-OG 3.43Å; N198-S201 WeakPolarHBondContact OD1-CB 3.25Å; N198-S201 PolarHBondContact OD1-N 3.21Å; N198-S201 PolarHBondContact OD1-OG 2.95Å
199P78.5Confident79.7Confident56 Ų5676.7 Ų76.736%0.36442%0.422SS..THydrogen-bonded Turntrans-69.3-19.6-173.221.5-31.1000116D169 R196D169-P199 WeakPolarHBondContact O-CD 3.49Å; D169-P199 WeakPolarHBondContact OD2-CB 3.49Å; R196-P199 VanDerWaalsContact CZ-CA 3.44Å; R196-P199 PolarHBondContact NH1-O 3.36Å
200A76.4Confident79.6Confident96 Ų9675.2 Ų75.279%0.79341%0.411SS*.THydrogen-bonded Turntrans-89.1-19.9-179.200000113.6N198N198-A200 VanDerWaalsContact C-N 3.28Å; N198-A200 PolarHBondContact O-N 3.23Å; N198-A200 PolarHBondContact OD1-N 2.98Å
201S71.9Confident79.6Confident26 Ų2675.4 Ų75.418%0.18241%0.408CS..SBendtrans-68.3141-179.458.50000112.5P197 N198P197-S201 WeakPolarHBondContact CD-OG 3.43Å; N198-S201 PolarHBondContact O-N 3.39Å; N198-S201 PolarHBondContact O-OG 3.43Å; N198-S201 WeakPolarHBondContact OD1-CB 3.25Å; N198-S201 PolarHBondContact OD1-N 3.21Å; N198-S201 PolarHBondContact OD1-OG 2.95Å
202P68Low79.5Confident111 Ų11176.4 Ų76.472%0.72142%0.416SS*.  trans-63152163.630.2-34.5000109.4A204P202-A204 PolarHBondContact O-N 2.98Å
203Q62.4Low79.6Confident157 Ų15774.3 Ų74.373%0.73440%0.403SS*.  trans-63.9105.5174.1-72.9177.3-3300109.5
204A59.3Low79.5Confident56 Ų5678.6 Ų78.646%0.46342%0.419SS..  trans-88.9120.217600000109.5P202 E206 Y207P202-A204 PolarHBondContact O-N 2.98Å; A204-E206 PolarHBondContact O-N 3.44Å; A204-E206 VanDerWaalsContact O-N 3.11Å; A204-Y207 WeakPolarHBondContact O-CB 3.48Å; A204-Y207 PolarHBondContact O-N 2.93Å
205E61.9Low79.7Confident211 Ų21184.8 Ų84.899%0.98644%0.444SS*.THydrogen-bonded Turntrans-66.3-11.8-178.9-59.1-167.7164.400113.4
206E70.4Confident79.9Confident187 Ų18780.7 Ų80.787%0.87443%0.428SS*.THydrogen-bonded Turntrans-1027.9179.2-159.4168.5-160.300113.5A204 N208A204-E206 PolarHBondContact O-N 3.44Å; A204-E206 VanDerWaalsContact O-N 3.11Å; E206-N208 PolarHBondContact O-N 3Å
207Y82.4Confident80.3Confident45 Ų4577.5 Ų77.518%0.17642%0.417CS..  trans-71.299.4-177.3171.3-120.6000113L171 V193 R196 P197 A204 Y209 A212L171-Y207 HydrophobicContact CD1-CE2 4.34Å; V193-Y207 VanDerWaalsContact O-CE1 3.25Å; V193-Y207 WeakPolarHBondContact O-CE1 3.49Å; V193-Y207 PolarHBondContact O-OH 3.42Å; R196-Y207 VanDerWaalsContact C-CE1 3.4Å; P197-Y207 HydrophobicContact CB-CD2 4.26Å; P197-Y207 HydrophobicContact CB-CE2 3.72Å; P197-Y207 HydrophobicContact CG-CD2 4.32Å; P197-Y207 HydrophobicContact CG-CE2 4.27Å; A204-Y207 WeakPolarHBondContact O-CB 3.48Å; A204-Y207 PolarHBondContact O-N 2.93Å; Y207-Y209 VanDerWaalsContact C-N 3.33Å; Y207-Y209 PolarHBondContact O-N 3.47Å; Y207-A212 HydrophobicContact CE2-CB 4.42Å
208N85.9Confident80.6Confident104 Ų10480.7 Ų80.756%0.55644%0.437SS*.  trans-79.378.9172.4-170.2-13.1000111.8E206 R210 A211 A212E206-N208 PolarHBondContact O-N 3Å; N208-R210 VanDerWaalsContact C-N 3.26Å; N208-R210 PolarHBondContact O-N 3.42Å; N208-R210 PolarHBondContact OD1-N 3.44Å; N208-A211 HydrophobicContact CB-CB 4.12Å; N208-A211 PolarHBondContact O-N 2.96Å; N208-A211 VanDerWaalsContact O-N 3.1Å; N208-A211 PolarHBondContact OD1-N 2.98Å; N208-A211 VanDerWaalsContact OD1-N 3.14Å; N208-A212 PolarHBondContact O-N 3.32Å
209Y88.9Confident80.9Confident19 Ų1980.3 Ų80.38%0.07543%0.434CS..Hα-helixtrans-41.8-48.3171.7159.7-106.9000113.7I174 L188 V193 Y207 A211 A212 V213I174-Y209 HydrophobicContact CD1-CE2 4.19Å; L188-Y209 WeakPolarHBondContact CB-OH 3.4Å; L188-Y209 VanDerWaalsContact CD1-OH 3.3Å; L188-Y209 WeakPolarHBondContact CD1-OH 3.42Å; V193-Y209 HydrophobicContact CG1-CE2 4.35Å; V193-Y209 WeakPolarHBondContact O-CD2 3.42Å; Y207-Y209 VanDerWaalsContact C-N 3.33Å; Y207-Y209 PolarHBondContact O-N 3.47Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.09Å; Y209-A212 PolarHBondContact O-N 2.96Å; Y209-V213 HydrophobicContact CD2-CG2 3.86Å; Y209-V213 HydrophobicContact CE2-CG2 3.26Å; Y209-V213 PolarHBondContact O-N 3.01Å
210R87.4Confident81.5Confident97 Ų9778.1 Ų78.137%0.36642%0.419SS..Hα-helixtrans-66.7-31.7-176-76.4-170.1149.8132.1-11.9113N208 R214 L223 D224 V226N208-R210 VanDerWaalsContact C-N 3.26Å; N208-R210 PolarHBondContact O-N 3.42Å; N208-R210 PolarHBondContact OD1-N 3.44Å; R210-R214 VanDerWaalsContact O-CB 3.31Å; R210-R214 WeakPolarHBondContact O-CB 3.45Å; R210-R214 PolarHBondContact O-N 3.39Å; R210-R214 VanDerWaalsContact O-N 3.12Å; R210-L223 HydrophobicContact CB-CD2 4.11Å; R210-L223 HydrophobicContact CG-CD2 3.84Å; R210-L223 HydrophobicContact CG-CG 4.43Å; R210-L223 PolarHBondContact NH2-O 2.68Å; R210-D224 IonicContact CZ-OD2 3.04Å; R210-D224 IonicContact NE-OD2 2.68Å; R210-D224 PolarHBondContact NE-OD2 3.45Å; R210-D224 VanDerWaalsContact NH2-CB 3.35Å; R210-D224 PolarHBondContact NH2-O 2.63Å; R210-D224 IonicContact NH2-OD2 2.66Å; R210-D224 PolarHBondContact NH2-OD2 3.36Å; R210-D224 VanDerWaalsContact NH2-OD2 3.12Å; R210-V226 VanDerWaalsContact NH2-CG2 3.34Å
211A87.4Confident82.2Confident48 Ų4880.5 Ų80.540%0.39741%0.407SS..Hα-helixtrans-68.3-44173.500000111.6N208 Y209 V213 R214 E215N208-A211 HydrophobicContact CB-CB 4.12Å; N208-A211 PolarHBondContact O-N 2.96Å; N208-A211 VanDerWaalsContact O-N 3.1Å; N208-A211 PolarHBondContact OD1-N 2.98Å; N208-A211 VanDerWaalsContact OD1-N 3.14Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.09Å; A211-V213 PolarHBondContact O-N 3.33Å; A211-R214 WeakPolarHBondContact O-CB 3.18Å; A211-R214 PolarHBondContact O-N 2.67Å; A211-E215 PolarHBondContact O-N 3.04Å
212A89.8Confident83.2Confident20 Ų2083.6 Ų83.617%0.16542%0.416CS..Hα-helixtrans-62.3-44178.300000112.4L171 Y207 N208 Y209 R214 E215 L216L171-A212 HydrophobicContact CD1-CB 3.92Å; L171-A212 HydrophobicContact CD2-CB 3.91Å; Y207-A212 HydrophobicContact CE2-CB 4.42Å; N208-A212 PolarHBondContact O-N 3.32Å; Y209-A212 PolarHBondContact O-N 2.96Å; A212-R214 VanDerWaalsContact C-N 3.32Å; A212-R214 PolarHBondContact O-N 3.1Å; A212-E215 PolarHBondContact O-N 3.11Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.19Å; A212-L216 VanDerWaalsContact O-N 3.1Å
213V90.6Very high84.4Confident0 Ų078.5 Ų78.50%038%0.382CS..Hα-helixtrans-65.3-35.9175.3178.90000112I174 L186 Y209 A211 E215 L216 V217 L220 L223I174-V213 HydrophobicContact CD1-CG2 3.66Å; I174-V213 HydrophobicContact CG2-CB 4.5Å; I174-V213 HydrophobicContact CG2-CG1 4.04Å; I174-V213 HydrophobicContact CG2-CG2 4.17Å; L186-V213 HydrophobicContact CD2-CG1 4.14Å; Y209-V213 HydrophobicContact CD2-CG2 3.86Å; Y209-V213 HydrophobicContact CE2-CG2 3.26Å; Y209-V213 PolarHBondContact O-N 3.01Å; A211-V213 PolarHBondContact O-N 3.33Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 2.87Å; V213-L216 PolarHBondContact O-N 2.97Å; V213-V217 HydrophobicContact CG1-CG2 4.44Å; V213-V217 PolarHBondContact O-N 2.96Å; V213-L220 HydrophobicContact CG1-CD2 4.43Å; V213-L223 HydrophobicContact CB-CD2 3.87Å; V213-L223 HydrophobicContact CG1-CD1 3.93Å; V213-L223 HydrophobicContact CG1-CD2 3.85Å
214R88.6Confident85.8Confident89 Ų8972 Ų7234%0.33635%0.352SS..Hα-helixtrans-64.8-32.9175.7-175.3178.2-172.4128.922.9112.8R210 A211 A212 V228 E229R210-R214 VanDerWaalsContact O-CB 3.31Å; R210-R214 WeakPolarHBondContact O-CB 3.45Å; R210-R214 PolarHBondContact O-N 3.39Å; R210-R214 VanDerWaalsContact O-N 3.12Å; A211-R214 WeakPolarHBondContact O-CB 3.18Å; A211-R214 PolarHBondContact O-N 2.67Å; A212-R214 VanDerWaalsContact C-N 3.32Å; A212-R214 PolarHBondContact O-N 3.1Å; R214-V228 HydrophobicContact CG-CG1 3.95Å; R214-V228 PolarHBondContact NH1-O 3.5Å; R214-V228 PolarHBondContact NH2-O 3.1Å; R214-E229 PolarHBondContact NH1-O 3.4Å; R214-E229 PolarHBondContact NH2-O 3.1Å; R214-E229 VanDerWaalsContact NH2-O 3.11Å
215E89.9Confident87.1Confident164 Ų16475.9 Ų75.977%0.76637%0.365SS*.Hα-helixtrans-73.3-41.1175.1-172.2173.7178.300111.9A211 A212 V213A211-E215 PolarHBondContact O-N 3.04Å; A212-E215 PolarHBondContact O-N 3.11Å; V213-E215 VanDerWaalsContact C-N 3.3Å; V213-E215 PolarHBondContact O-N 2.87Å
216L90.9Very high88.4Confident47 Ų4769.7 Ų69.725%0.24634%0.342CS..Hα-helixtrans-76.7-30.4-179.6-65.5172.2000114.1L171 I174 Q175 G178 A212 V213 P218L171-L216 HydrophobicContact CB-CD1 4.06Å; L171-L216 HydrophobicContact CD2-CD1 3.88Å; L171-L216 HydrophobicContact CG-CD1 4.48Å; I174-L216 HydrophobicContact CB-CD1 4.26Å; I174-L216 HydrophobicContact CG2-CB 4.37Å; I174-L216 HydrophobicContact CG2-CD1 4.26Å; Q175-L216 HydrophobicContact CB-CD2 4.16Å; Q175-L216 HydrophobicContact CG-CD2 4.12Å; G178-L216 WeakPolarHBondContact CA-O 3.43Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.19Å; A212-L216 VanDerWaalsContact O-N 3.1Å; V213-L216 PolarHBondContact O-N 2.97Å; L216-P218 VanDerWaalsContact C-CD 3.48Å
217V91.4Very high89.1Confident1 Ų165.3 Ų65.31%0.00632%0.32CS..  trans-129.165.1-175.6-163.70000110.7I174 L177 L183 V213 Q219 L220I174-V217 HydrophobicContact CG2-CG2 3.77Å; L177-V217 HydrophobicContact CB-CG2 4.15Å; L183-V217 HydrophobicContact CD2-CG1 4.28Å; V213-V217 HydrophobicContact CG1-CG2 4.44Å; V213-V217 PolarHBondContact O-N 2.96Å; V217-Q219 VanDerWaalsContact C-OE1 3.31Å; V217-Q219 HydrophobicContact CG1-CG 4.11Å; V217-Q219 PolarHBondContact O-N 3.17Å; V217-Q219 VanDerWaalsContact O-N 3.14Å; V217-L220 HydrophobicContact CG1-CB 4.18Å; V217-L220 VanDerWaalsContact O-CB 3.22Å; V217-L220 WeakPolarHBondContact O-CB 3.26Å; V217-L220 PolarHBondContact O-N 2.83Å; V217-L220 VanDerWaalsContact O-N 3.14Å
218P87.4Confident89.1Confident101 Ų10164.4 Ų64.466%0.65632%0.319SS*.THydrogen-bonded Turntrans-67.6-12.9-172.828.4-37.2000115L216 L220L216-P218 VanDerWaalsContact C-CD 3.48Å; P218-L220 VanDerWaalsContact C-N 3.26Å
219Q90.1Very high88.1Confident52 Ų5265.2 Ų65.224%0.24332%0.319CS..THydrogen-bonded Turntrans-73.4-15173.462-91.447.200113.9G178 C180 L183 V217G178-Q219 PolarHBondContact O-NE2 2.68Å; C180-Q219 PolarHBondContact O-NE2 2.73Å; L183-Q219 WeakPolarHBondContact O-CG 3.44Å; V217-Q219 VanDerWaalsContact C-OE1 3.31Å; V217-Q219 HydrophobicContact CG1-CG 4.11Å; V217-Q219 PolarHBondContact O-N 3.17Å; V217-Q219 VanDerWaalsContact O-N 3.14Å
220L91.4Very high86.4Confident10 Ų1070.8 Ų70.85%0.05235%0.346CS..  trans-68.7139.7-170.1-165.369.5000112.8L183 Q184 L186 V213 V217 P218 Y222 L223 V228L183-L220 HydrophobicContact CG-CD1 4.31Å; Q184-L220 WeakPolarHBondContact O-CD1 3.33Å; L186-L220 HydrophobicContact CB-CD1 3.56Å; L186-L220 HydrophobicContact CB-CD2 3.92Å; L186-L220 HydrophobicContact CB-CG 4.39Å; L186-L220 HydrophobicContact CD2-CD2 4.27Å; V213-L220 HydrophobicContact CG1-CD2 4.43Å; V217-L220 HydrophobicContact CG1-CB 4.18Å; V217-L220 VanDerWaalsContact O-CB 3.22Å; V217-L220 WeakPolarHBondContact O-CB 3.26Å; V217-L220 PolarHBondContact O-N 2.83Å; V217-L220 VanDerWaalsContact O-N 3.14Å; P218-L220 VanDerWaalsContact C-N 3.26Å; L220-Y222 WeakPolarHBondContact CD1-O 3.45Å; L220-Y222 WeakPolarHBondContact CG-O 3.33Å; L220-L223 HydrophobicContact CD2-CB 3.76Å; L220-L223 HydrophobicContact CD2-CD1 3.93Å; L220-L223 HydrophobicContact CD2-CD2 4.49Å; L220-L223 HydrophobicContact CD2-CG 4.27Å; L220-V228 HydrophobicContact CD2-CG2 4.36Å; L220-V228 HydrophobicContact CG-CG2 4.4Å
221R90.4Very high84.5Confident145 Ų14571.4 Ų71.455%0.54736%0.357SS..SBendtrans-108-29.8179.7-60.7-177.9175.4178.9-10.9113.3Q184 K227 V228Q184-R221 HydrophobicContact CB-CB 4.39Å; Q184-R221 HydrophobicContact CB-CG 4.25Å; Q184-R221 HydrophobicContact CG-CG 4.12Å; Q184-R221 CarbonylContact O-C 3.33Å; Q184-R221 WeakPolarHBondContact O-CA 3.38Å; Q184-R221 WeakPolarHBondContact O-CB 3.46Å; Q184-R221 PolarHBondContact O-N 2.92Å; R221-K227 CarbonylContact O-C 3.56Å; R221-K227 WeakPolarHBondContact O-CA 3.34Å; R221-V228 PolarHBondContact O-N 2.87Å
222Y92.3Very high82.6Confident92 Ų9276.6 Ų76.636%0.36137%0.37SS..EExtended strand (participates in β ladder)trans-137.8131.5177.9-63.6-87.8000110Q184 T185 L186 L220 V226 K227Q184-Y222 PolarHBondContact O-N 2.66Å; T185-Y222 WeakPolarHBondContact CA-O 3.33Å; L186-Y222 PolarHBondContact N-O 3.4Å; L220-Y222 WeakPolarHBondContact CD1-O 3.45Å; L220-Y222 WeakPolarHBondContact CG-O 3.33Å; Y222-V226 CarbonylContact C-O 3.34Å; Y222-V226 WeakPolarHBondContact CA-O 3.45Å; Y222-K227 HydrophobicContact CD1-CB 3.9Å; Y222-K227 HydrophobicContact CD1-CG 4.1Å; Y222-K227 HydrophobicContact CE1-CB 3.66Å; Y222-K227 HydrophobicContact CE1-CD 4.09Å; Y222-K227 HydrophobicContact CE1-CG 3.6Å
223L93Very high80.5Confident4 Ų483.8 Ų83.82%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-128.1112.5177.6-179.256.1000108.6L186 R210 V213 L220 V226 V228L186-L223 HydrophobicContact CB-CD1 4.36Å; L186-L223 HydrophobicContact CD2-CD1 4.31Å; L186-L223 HydrophobicContact CG-CD1 4.26Å; L186-L223 CarbonylContact O-C 3.59Å; L186-L223 VanDerWaalsContact O-CA 3.31Å; L186-L223 WeakPolarHBondContact O-CA 3.31Å; R210-L223 HydrophobicContact CB-CD2 4.11Å; R210-L223 HydrophobicContact CG-CD2 3.84Å; R210-L223 HydrophobicContact CG-CG 4.43Å; R210-L223 PolarHBondContact NH2-O 2.68Å; V213-L223 HydrophobicContact CB-CD2 3.87Å; V213-L223 HydrophobicContact CG1-CD1 3.93Å; V213-L223 HydrophobicContact CG1-CD2 3.85Å; L220-L223 HydrophobicContact CD2-CB 3.76Å; L220-L223 HydrophobicContact CD2-CD1 3.93Å; L220-L223 HydrophobicContact CD2-CD2 4.49Å; L220-L223 HydrophobicContact CD2-CG 4.27Å; L223-V226 PolarHBondContact N-O 3.05Å; L223-V226 PolarHBondContact O-N 3.27Å; L223-V226 VanDerWaalsContact O-N 3.13Å; L223-V228 HydrophobicContact CB-CG2 3.74Å
224D91.5Very high78.2Confident19 Ų1988.6 Ų88.610%0.10243%0.434CS..THydrogen-bonded Turntrans44.963.8-171.8-14.7-78.3000111.5L186 L188 E189 R210 V226L186-D224 PolarHBondContact O-N 2.99Å; L188-D224 PolarHBondContact N-OD1 2.79Å; E189-D224 HydrophobicContact CB-CB 4.44Å; E189-D224 PolarHBondContact N-OD1 3.04Å; R210-D224 IonicContact CZ-OD2 3.04Å; R210-D224 IonicContact NE-OD2 2.68Å; R210-D224 PolarHBondContact NE-OD2 3.45Å; R210-D224 VanDerWaalsContact NH2-CB 3.35Å; R210-D224 PolarHBondContact NH2-O 2.63Å; R210-D224 IonicContact NH2-OD2 2.66Å; R210-D224 PolarHBondContact NH2-OD2 3.36Å; R210-D224 VanDerWaalsContact NH2-OD2 3.12Å; D224-V226 PolarHBondContact O-N 3.45Å
225D86.9Confident75.6Confident139 Ų13990.8 Ų90.874%0.74346%0.462SS*.THydrogen-bonded Turntrans55.1-7.1-173.6-71.7-25.8000117.8
226V88.8Confident72.7Confident80 Ų8087.9 Ų87.949%0.48546%0.458SS..EExtended strand (participates in β ladder)trans-86.5128.1176.5178.30000110.5R210 Y222 L223 D224 V228R210-V226 VanDerWaalsContact NH2-CG2 3.34Å; Y222-V226 CarbonylContact C-O 3.34Å; Y222-V226 WeakPolarHBondContact CA-O 3.45Å; L223-V226 PolarHBondContact N-O 3.05Å; L223-V226 PolarHBondContact O-N 3.27Å; L223-V226 VanDerWaalsContact O-N 3.13Å; D224-V226 PolarHBondContact O-N 3.45Å; V226-V228 PolarHBondContact O-N 3.29Å
227K86.3Confident70.5Confident96 Ų9691.2 Ų91.242%0.41749%0.486SS..EExtended strand (participates in β ladder)trans-70.4125.7-179.6-162.4-179.8-176.1-162.10111.5R221 Y222 E229R221-K227 CarbonylContact O-C 3.56Å; R221-K227 WeakPolarHBondContact O-CA 3.34Å; Y222-K227 HydrophobicContact CD1-CB 3.9Å; Y222-K227 HydrophobicContact CD1-CG 4.1Å; Y222-K227 HydrophobicContact CE1-CB 3.66Å; Y222-K227 HydrophobicContact CE1-CD 4.09Å; Y222-K227 HydrophobicContact CE1-CG 3.6Å; K227-E229 HydrophobicContact CD-CB 4.34Å; K227-E229 WeakPolarHBondContact CE-OE1 3.43Å; K227-E229 VanDerWaalsContact CE-OE2 3.29Å; K227-E229 WeakPolarHBondContact CE-OE2 3.37Å; K227-E229 HydrophobicContact CG-CB 4.27Å; K227-E229 IonicContact NZ-OE1 2.73Å; K227-E229 PolarHBondContact NZ-OE1 2.99Å; K227-E229 IonicContact NZ-OE2 3.99Å; K227-E229 PolarHBondContact NZ-OE2 3.11Å; K227-E229 PolarHBondContact O-N 3.14Å
228V81.4Confident67.9Low26 Ų2694.1 Ų94.116%0.15850%0.504CS..  trans-8235.5-176.8-166.70000111.1R214 L220 R221 L223 V226R214-V228 HydrophobicContact CG-CG1 3.95Å; R214-V228 PolarHBondContact NH1-O 3.5Å; R214-V228 PolarHBondContact NH2-O 3.1Å; L220-V228 HydrophobicContact CD2-CG2 4.36Å; L220-V228 HydrophobicContact CG-CG2 4.4Å; R221-V228 PolarHBondContact O-N 2.87Å; L223-V228 HydrophobicContact CB-CG2 3.74Å; V226-V228 PolarHBondContact O-N 3.29Å
229E66.4Low66.4Low121 Ų12192.6 Ų92.657%0.56549%0.492SS*.  trans-70175.5-175.5-137.3157.9-142.500112R214 K227 D231R214-E229 PolarHBondContact NH1-O 3.4Å; R214-E229 PolarHBondContact NH2-O 3.1Å; R214-E229 VanDerWaalsContact NH2-O 3.11Å; K227-E229 HydrophobicContact CD-CB 4.34Å; K227-E229 WeakPolarHBondContact CE-OE1 3.43Å; K227-E229 VanDerWaalsContact CE-OE2 3.29Å; K227-E229 WeakPolarHBondContact CE-OE2 3.37Å; K227-E229 HydrophobicContact CG-CB 4.27Å; K227-E229 IonicContact NZ-OE1 2.73Å; K227-E229 PolarHBondContact NZ-OE1 2.99Å; K227-E229 IonicContact NZ-OE2 3.99Å; K227-E229 PolarHBondContact NZ-OE2 3.11Å; K227-E229 PolarHBondContact O-N 3.14Å; E229-D231 PolarHBondContact O-N 3.22Å
230E53.3Low64.6Low135 Ų13596.4 Ų96.463%0.63151%0.51SS*.  trans-7679.2-151.8-58.3-164.1133.600116.2K232E230-K232 HydrophobicContact CB-CD 4.19Å; E230-K232 HydrophobicContact CB-CG 4.16Å; E230-K232 HydrophobicContact CG-CD 4.39Å; E230-K232 PolarHBondContact O-N 3.17Å; E230-K232 VanDerWaalsContact OE1-CE 3.26Å; E230-K232 WeakPolarHBondContact OE1-CE 3.21Å; E230-K232 IonicContact OE1-NZ 2.68Å; E230-K232 PolarHBondContact OE1-NZ 2.89Å; E230-K232 IonicContact OE2-NZ 2.63Å
231D46.6Very low62.9Low111 Ų111102.9 Ų102.959%0.59454%0.54SS*.  trans-68.547.4159.9-95.2-32.7000112.3E229 L233 T234E229-D231 PolarHBondContact O-N 3.22Å; D231-L233 PolarHBondContact O-N 3.27Å; D231-T234 PolarHBondContact O-N 3.24Å; D231-T234 PolarHBondContact OD1-OG1 3.1Å
232K46.7Very low61.4Low156 Ų15699 Ų9968%0.67853%0.53SS*.THydrogen-bonded Turntrans-71.111.4178.9-82.2179.4172168.60114.1E230E230-K232 HydrophobicContact CB-CD 4.19Å; E230-K232 HydrophobicContact CB-CG 4.16Å; E230-K232 HydrophobicContact CG-CD 4.39Å; E230-K232 PolarHBondContact O-N 3.17Å; E230-K232 VanDerWaalsContact OE1-CE 3.26Å; E230-K232 WeakPolarHBondContact OE1-CE 3.21Å; E230-K232 IonicContact OE1-NZ 2.68Å; E230-K232 PolarHBondContact OE1-NZ 2.89Å; E230-K232 IonicContact OE2-NZ 2.63Å
233L45.7Very low60.1Low171 Ų171101.2 Ų101.290%0.89554%0.538SS*.THydrogen-bonded Turntrans-132.97.5-180-70.5174.7000113.5D231D231-L233 PolarHBondContact O-N 3.27Å
234T42.4Very low58.8Low101 Ų101104 Ų10462%0.6255%0.553SS**  trans-124.826.7-167.3-9.80000113.8D231D231-T234 PolarHBondContact O-N 3.24Å; D231-T234 PolarHBondContact OD1-OG1 3.1Å
235C33.8Very low57.8Low136 Ų136108.4 Ų108.492%0.91958%0.575SS**  trans-128.968.4162-163.40000111.5
236C29Very low56.8Low102 Ų102105.5 Ų105.569%0.68956%0.559SS**SBendtrans-140.4125.9149.5-169.30000106.1T238C236-T238 PolarHBondContact O-N 2.97Å; C236-T238 PolarHBondContact O-OG1 3.22Å
237S46.3Very low55.6Low117 Ų117107.7 Ų107.782%0.81856%0.559SS**  trans-71.674.7-176.555.50000110.8
238T35.9Very low54.2Low62 Ų62108 Ų10838%0.3856%0.563SS.*  trans-96.7108.2161.441.30000106.3C236 D242 W243C236-T238 PolarHBondContact O-N 2.97Å; C236-T238 PolarHBondContact O-OG1 3.22Å; T238-D242 HydrophobicContact CG2-CB 4.3Å; T238-W243 PolarHBondContact OG1-NE1 3.48Å
239T55.2Low53Low69 Ų69109 Ų10942%0.42357%0.571SS.*  trans-60.2162.3174.5630000109.9E241 D242 W243T239-E241 PolarHBondContact O-N 2.77Å; T239-E241 VanDerWaalsContact O-N 3.12Å; T239-E241 WeakPolarHBondContact OG1-CB 3.45Å; T239-E241 PolarHBondContact OG1-N 3.35Å; T239-D242 WeakPolarHBondContact CB-OD2 3.48Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 VanDerWaalsContact O-N 3.09Å; T239-D242 VanDerWaalsContact OG1-CG 3.3Å; T239-D242 PolarHBondContact OG1-N 2.97Å; T239-D242 PolarHBondContact OG1-OD2 2.91Å; T239-W243 PolarHBondContact O-N 3.24Å
240Q52.4Low52.6Low133 Ų133110.3 Ų110.362%0.62158%0.576SS**Hα-helixtrans-54.4-30.6169.3-175.463.937.500111.1W243 D244Q240-W243 PolarHBondContact O-N 2.84Å; Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.38Å
241E55.7Low52.6Low145 Ų145109.9 Ų109.968%0.67857%0.574SS**Hα-helixtrans-70.2-40.4177.9-49-175.3149.800111.8T239 W243 D244 I245T239-E241 PolarHBondContact O-N 2.77Å; T239-E241 VanDerWaalsContact O-N 3.12Å; T239-E241 WeakPolarHBondContact OG1-CB 3.45Å; T239-E241 PolarHBondContact OG1-N 3.35Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.8Å; E241-D244 CarbonylContact O-C 3.58Å; E241-D244 PolarHBondContact O-N 3.46Å; E241-D244 VanDerWaalsContact O-N 3.15Å; E241-I245 WeakPolarHBondContact O-CB 3.26Å; E241-I245 VanDerWaalsContact O-CG1 3.25Å; E241-I245 WeakPolarHBondContact O-CG1 3.38Å; E241-I245 PolarHBondContact O-N 3.07Å
242D58.8Low52.7Low63 Ų63111.8 Ų111.834%0.33758%0.579SS.*Hα-helixtrans-61.3-40.4172.5-65.7-65.3000112T238 T239 D244 I245 L246T238-D242 HydrophobicContact CG2-CB 4.3Å; T239-D242 WeakPolarHBondContact CB-OD2 3.48Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 VanDerWaalsContact O-N 3.09Å; T239-D242 VanDerWaalsContact OG1-CG 3.3Å; T239-D242 PolarHBondContact OG1-N 2.97Å; T239-D242 PolarHBondContact OG1-OD2 2.91Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.19Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-L246 WeakPolarHBondContact O-CB 3.25Å; D242-L246 WeakPolarHBondContact O-CG 3.48Å; D242-L246 PolarHBondContact O-N 2.79Å
243W65.9Low52.8Low140 Ų140109.3 Ų109.353%0.5358%0.581SS.*Hα-helixtrans-67.3-31.4174.9-80.3100.8000113T238 T239 Q240 E241 R247T238-W243 PolarHBondContact OG1-NE1 3.48Å; T239-W243 PolarHBondContact O-N 3.24Å; Q240-W243 PolarHBondContact O-N 2.84Å; E241-W243 VanDerWaalsContact C-N 3.33Å; E241-W243 PolarHBondContact O-N 2.8Å; W243-R247 WeakPolarHBondContact O-CB 3.49Å; W243-R247 PolarHBondContact O-N 3.49Å; W243-R247 PolarHBondContact O-NH2 3.21Å
244D64.9Low52.9Low62 Ų62107 Ų10733%0.33257%0.57SS.*Hα-helixtrans-78.9-35.9175.6-71.2-4.5000111.1Q240 E241 D242 R247 M248Q240-D244 VanDerWaalsContact O-CG 3.28Å; Q240-D244 PolarHBondContact O-N 3.38Å; E241-D244 CarbonylContact O-C 3.58Å; E241-D244 PolarHBondContact O-N 3.46Å; E241-D244 VanDerWaalsContact O-N 3.15Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.19Å; D244-R247 PolarHBondContact O-N 3.15Å; D244-R247 IonicContact OD1-CZ 3.82Å; D244-R247 IonicContact OD1-NH1 3.67Å; D244-R247 PolarHBondContact OD1-NH1 3.44Å; D244-R247 IonicContact OD1-NH2 3.15Å; D244-R247 PolarHBondContact OD1-NH2 3.09Å; D244-M248 WeakPolarHBondContact O-CB 3.39Å; D244-M248 VanDerWaalsContact O-CG 3.26Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 3Å
245I71.3Confident53Low111 Ų111107.3 Ų107.357%0.56958%0.576SS**Hα-helixtrans-62.5-43.5170.9-70.5162.7000111E241 D242 M248 S249E241-I245 WeakPolarHBondContact O-CB 3.26Å; E241-I245 VanDerWaalsContact O-CG1 3.25Å; E241-I245 WeakPolarHBondContact O-CG1 3.38Å; E241-I245 PolarHBondContact O-N 3.07Å; D242-I245 PolarHBondContact O-N 3.42Å; I245-M248 PolarHBondContact O-N 3.12Å; I245-S249 WeakPolarHBondContact O-CB 3.42Å; I245-S249 PolarHBondContact O-N 3.45Å; I245-S249 PolarHBondContact O-OG 2.65Å
246L65.2Low53.2Low78 Ų78108.6 Ų108.641%0.40857%0.566SS.*Hα-helixtrans-61.1-44.5171.5-78.8168.4000111.1D242 M248 S249 F250D242-L246 WeakPolarHBondContact O-CB 3.25Å; D242-L246 WeakPolarHBondContact O-CG 3.48Å; D242-L246 PolarHBondContact O-N 2.79Å; L246-M248 PolarHBondContact O-N 2.95Å; L246-S249 WeakPolarHBondContact CA-OG 3.01Å; L246-S249 PolarHBondContact O-N 2.76Å; L246-S249 PolarHBondContact O-OG 2.78Å; L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 3.22Å; L246-F250 VanDerWaalsContact O-N 3.08Å
247R64.6Low54.1Low126 Ų126112 Ų11248%0.47557%0.572SS.*Hα-helixtrans-65.8-38.6179.5-158.1-179.5-50.1115.623.9112.7W243 D244 Q251W243-R247 WeakPolarHBondContact O-CB 3.49Å; W243-R247 PolarHBondContact O-N 3.49Å; W243-R247 PolarHBondContact O-NH2 3.21Å; D244-R247 PolarHBondContact O-N 3.15Å; D244-R247 IonicContact OD1-CZ 3.82Å; D244-R247 IonicContact OD1-NH1 3.67Å; D244-R247 PolarHBondContact OD1-NH1 3.44Å; D244-R247 IonicContact OD1-NH2 3.15Å; D244-R247 PolarHBondContact OD1-NH2 3.09Å; R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.18Å
248M55.7Low54.1Low102 Ų102111.5 Ų111.550%0.50256%0.564SS.*Hα-helixtrans-68-45176.5-73.3-61.2-64.300111.6D244 I245 L246 F250 Q251 E252D244-M248 WeakPolarHBondContact O-CB 3.39Å; D244-M248 VanDerWaalsContact O-CG 3.26Å; D244-M248 WeakPolarHBondContact O-CG 3.41Å; D244-M248 PolarHBondContact O-N 3Å; I245-M248 PolarHBondContact O-N 3.12Å; L246-M248 PolarHBondContact O-N 2.95Å; M248-F250 VanDerWaalsContact C-N 3.3Å; M248-F250 PolarHBondContact O-N 3.01Å; M248-Q251 CarbonylContact O-C 3.58Å; M248-Q251 WeakPolarHBondContact O-CA 3.47Å; M248-Q251 WeakPolarHBondContact O-CB 3.46Å; M248-Q251 PolarHBondContact O-N 3.12Å; M248-E252 PolarHBondContact O-N 3.36Å
249S58.1Low54.3Low47 Ų47113.3 Ų113.333%0.32959%0.585SS.*Hα-helixtrans-65.1-30.5176.951.70000113.2I245 L246 Q251 S253I245-S249 WeakPolarHBondContact O-CB 3.42Å; I245-S249 PolarHBondContact O-N 3.45Å; I245-S249 PolarHBondContact O-OG 2.65Å; L246-S249 WeakPolarHBondContact CA-OG 3.01Å; L246-S249 PolarHBondContact O-N 2.76Å; L246-S249 PolarHBondContact O-OG 2.78Å; S249-Q251 VanDerWaalsContact C-N 3.34Å; S249-S253 VanDerWaalsContact O-CB 3.26Å; S249-S253 WeakPolarHBondContact O-CB 3.26Å; S249-S253 PolarHBondContact O-N 3.13Å; S249-S253 VanDerWaalsContact O-N 3.13Å; S249-S253 PolarHBondContact O-OG 3.36Å
250F56.2Low53.7Low150 Ų150116.4 Ų116.466%0.65860%0.595SS**Hα-helixtrans-70.3-23.5167.3-74.2-55.6000114.3L246 M248L246-F250 WeakPolarHBondContact O-CD2 3.47Å; L246-F250 PolarHBondContact O-N 3.22Å; L246-F250 VanDerWaalsContact O-N 3.08Å; M248-F250 VanDerWaalsContact C-N 3.3Å; M248-F250 PolarHBondContact O-N 3.01Å
251Q54.1Low53.1Low126 Ų126117.9 Ų117.959%0.58960%0.599SS**Hα-helixtrans-82.6-44.5173.4-74-176.6-8.700111.9R247 M248 S249 S253 N254R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.18Å; M248-Q251 CarbonylContact O-C 3.58Å; M248-Q251 WeakPolarHBondContact O-CA 3.47Å; M248-Q251 WeakPolarHBondContact O-CB 3.46Å; M248-Q251 PolarHBondContact O-N 3.12Å; S249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.85Å; Q251-N254 PolarHBondContact O-N 3.19Å; Q251-N254 VanDerWaalsContact O-N 3.12Å
252E49.8Very low52.5Low151 Ų151117.2 Ų117.271%0.70660%0.599SS**Hα-helixtrans-63-33.8177.2-68.5-173.4139.600112.2M248 N254M248-E252 PolarHBondContact O-N 3.36Å; E252-N254 PolarHBondContact O-N 2.91Å
253S47.2Very low51.6Low104 Ų104118.2 Ų118.273%0.72762%0.616SS**THydrogen-bonded Turntrans-69.5-6.4176.2-620000114.5S249 Q251S249-S253 VanDerWaalsContact O-CB 3.26Å; S249-S253 WeakPolarHBondContact O-CB 3.26Å; S249-S253 PolarHBondContact O-N 3.13Å; S249-S253 VanDerWaalsContact O-N 3.13Å; S249-S253 PolarHBondContact O-OG 3.36Å; Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 PolarHBondContact O-N 2.85Å
254N48.2Very low50.3Low123 Ų123119.6 Ų119.666%0.65862%0.621SS**THydrogen-bonded Turntrans-118.226-166.7-136.3-17000114.7Q251 E252 F256Q251-N254 PolarHBondContact O-N 3.19Å; Q251-N254 VanDerWaalsContact O-N 3.12Å; E252-N254 PolarHBondContact O-N 2.91Å; N254-F256 PolarHBondContact O-N 3.08Å
255S43.8Very low49Very low107 Ų107124.2 Ų124.275%0.74864%0.64SS**  trans-78.756.6173.3-167.20000113.1
256F39.1Very low47.4Very low162 Ų162126.6 Ų126.671%0.71165%0.653SS**SBendtrans-16398.4152.8-129.3-87.7000114.5N254 V258N254-F256 PolarHBondContact O-N 3.08Å; F256-V258 PolarHBondContact O-N 3.35Å
257E47.4Very low46Very low175 Ų175133.5 Ų133.582%0.81867%0.674SS**SBendtrans55.437.1136.6-143.5179.9-156.600122.2
258V46.7Very low44.5Very low106 Ų106137.3 Ų137.364%0.64270%0.697SS**  trans-127.50.9171.7-153.60000116.1F256 E260F256-V258 PolarHBondContact O-N 3.35Å; V258-E260 PolarHBondContact O-N 2.71Å
259A41.2Very low43.2Very low100 Ų100136 Ų13683%0.82671%0.71SS**THydrogen-bonded Turntrans-67.8-23.1-170.300000116.4
260E42.6Very low41.8Very low134 Ų134138.7 Ų138.763%0.62673%0.734SS**THydrogen-bonded Turntrans-88.1-5.9-167-133.4-155.1132.900115.6V258 R264V258-E260 PolarHBondContact O-N 2.71Å; E260-R264 PolarHBondContact O-NH1 2.83Å; E260-R264 IonicContact OE1-CZ 2.67Å; E260-R264 IonicContact OE1-NH1 3.31Å; E260-R264 PolarHBondContact OE1-NH1 3.46Å; E260-R264 IonicContact OE1-NH2 3.38Å; E260-R264 PolarHBondContact OE1-NH2 2.95Å; E260-R264 IonicContact OE2-NH1 3.12Å
261K38.5Very low40.6Very low163 Ų163140.9 Ų140.971%0.70975%0.746SS**THydrogen-bonded Turntrans-98-25.3-166.9-145.1167-171.8171.50114.8
262I42.8Very low39.6Very low132 Ų132142.8 Ų142.868%0.67776%0.759SS**THydrogen-bonded Turntrans-83.5-38.6-175.6-60.9177000111.5R264 H265I262-R264 PolarHBondContact O-N 3.03Å; I262-H265 PolarHBondContact O-N 2.92Å; I262-H265 VanDerWaalsContact O-N 3.17Å
263A40.7Very low38.7Very low84 Ų84142 Ų14269%0.69477%0.765SS**THydrogen-bonded Turntrans-60.4-10.7-17900000115.2
264R37.7Very low37.8Very low168 Ų168140.6 Ų140.663%0.63477%0.766SS**THydrogen-bonded Turntrans-95.6-8.3-178.5-68.3179.2166.9112.2-6.2114.7E260 I262E260-R264 PolarHBondContact O-NH1 2.83Å; E260-R264 IonicContact OE1-CZ 2.67Å; E260-R264 IonicContact OE1-NH1 3.31Å; E260-R264 PolarHBondContact OE1-NH1 3.46Å; E260-R264 IonicContact OE1-NH2 3.38Å; E260-R264 PolarHBondContact OE1-NH2 2.95Å; E260-R264 IonicContact OE2-NH1 3.12Å; I262-R264 PolarHBondContact O-N 3.03Å
265H39.2Very low37.5Very low160 Ų160140.9 Ų140.974%0.74178%0.775SS**SBendtrans-106.4-0.8-172.4-81.390.5000115.9I262I262-H265 PolarHBondContact O-N 2.92Å; I262-H265 VanDerWaalsContact O-N 3.17Å
266L36.9Very low36.9Very low160 Ų160142.2 Ų142.284%0.83879%0.785SS**SBendtrans-123.244.1-178.6-70.8172.7000113.6
267R35.6Very low36.5Very low223 Ų223138.2 Ų138.284%0.84279%0.789SS**  trans-134.961.7166-67.2-159.9-160.7-170.77.6113.3
268H32.9Very low35.8Very low206 Ų206134.4 Ų134.495%0.95479%0.787SS**  trans-153.9101158.3-84.9109.5000109.1
269G27.8Very low35.3Very low76 Ų76141 Ų14178%0.78480%0.801SS**SBendtrans177.779.5-17600000114.9
270A30.1Very low35.9Very low102 Ų102142 Ų14284%0.84380%0.799SS**  trans42.6104.1161.100000119.7
271H29.7Very low35.3Very low196 Ų196139.9 Ų139.991%0.90780%0.804SS**PPolyproline II helixtrans-80.9148.7154.9-90.9-97.5000111.3
272I33.9Very low35Very low166 Ų166137.3 Ų137.385%0.85181%0.807SS**PPolyproline II helixtrans-83.1157.2171.3-68.3175.8000110.8
273T31.3Very low34.4Very low135 Ų135136.4 Ų136.483%0.82881%0.812SS**PPolyproline II helixtrans-71.9145-164.351.70000116.7
274G27.4Very low34Very low74 Ų74137.4 Ų137.476%0.76382%0.82SS**  trans-156.7119.2158.400000111.3
275P42.8Very low33.7Very low129 Ų129134.1 Ų134.184%0.83882%0.823SS**  trans-117.3127.7-177.236.6-26000114.6
276S30.7Very low33.4Very low136 Ų136134.8 Ų134.895%0.95183%0.829SS**  trans-175.3132.5133.1-1670000110.3
277G31.1Very low33.3Very low77 Ų77137.6 Ų137.679%0.79483%0.828SS**  trans165.8111.3-179.200000111.1
278A32Very low33.8Very low96 Ų96132.4 Ų132.479%0.79382%0.823SS**  trans-99.7138-15600000116.2
279R36.1Very low33.9Very low244 Ų244129.7 Ų129.792%0.92181%0.814SS**  trans78160.3143.8-77.6-171.5170.4-140.4-2.9120.3
280P53.3Low34Very low121 Ų121133.8 Ų133.879%0.78682%0.817SS**  trans-133-178-149.144.9-29.3000115.7
281A30.6Very low34.1Very low89 Ų89132.6 Ų132.674%0.73681%0.807SS**  trans-152.4149.7153.400000113.5
282S31.4Very low34.4Very low110 Ų110130.1 Ų130.177%0.76981%0.806SS**  trans-1.9154.7149.553.10000121.4
283S31.5Very low34.2Very low112 Ų112125.4 Ų125.478%0.78380%0.799SS**  cis179.8-168.3-8.658.90000110.6
284A31.1Very low34.3Very low105 Ų105130.6 Ų130.687%0.86880%0.803SS**  trans85.6143.216200000118.3
285S32.8Very low34.4Very low99 Ų99135 Ų13569%0.69280%0.801SS**  trans-132.3148.2-175.3166.10000108.7
286M32.7Very low33.8Very low175 Ų175135 Ų13586%0.86279%0.793SS**  trans-159.8157.1149.7-96.3-47103.500112
287R34.5Very low33.7Very low219 Ų219135.9 Ų135.983%0.82679%0.787SS**  trans-109.5168167.3-60.2179171.8-171.5-2.6109.2
288P46.2Very low33.7Very low113 Ų113137 Ų13773%0.73478%0.782SS**  -128.2157.182.71.522.8000113.9
289I34Very low35Very low149 Ų149138.1 Ų138.176%0.76478%0.782SS**  66127.875.7-51.7169.3000111.3
290L31.4Very low35.6Very low162 Ų162132.7 Ų132.785%0.84878%0.778SS**  cis-143.9174.838.9-167.651.2000115.3
291A32.2Very low34.4Very low77 Ų77129.9 Ų129.964%0.63677%0.771SS**  trans-72.1171.9170.800000112.8
292T34.5Very low34.5Very low144 Ų144131.9 Ų131.988%0.88378%0.78SS**  cis-160.9162.843.747.50000111.9
293G29.6Very low34.5Very low68 Ų68138.1 Ų138.170%0.70179%0.786SS**  cis153131.9-9.500000114.6
294R33.7Very low35.2Very low244 Ų244138.9 Ų138.992%0.92179%0.789SS**  trans71.7151170-59.3-180170.7-171.7-2116.7
295K31.2Very low35Very low165 Ų165137.8 Ų137.872%0.71778%0.78SS**  cis-160.1156.9-13.1-125.4-165.1170.7-169.70111
296L28.7Very low35Very low129 Ų129138.3 Ų138.368%0.67578%0.784SS**  trans25140.2136.8-94.962.8000120
297L29.6Very low35Very low155 Ų155134.6 Ų134.681%0.81278%0.775SS**  cis-162.1175.339.4-114.1155000112.9
298S30.3Very low34.7Very low100 Ų100133 Ų13370%0.69978%0.776SS**  trans-128-162.6170.7-37.20000109
299P59.8Low34Very low121 Ų121133.5 Ų133.579%0.78678%0.783SS**  -101.5-144-55.740.8-26.1000108.3
300P47.5Very low33.8Very low129 Ų129133.6 Ų133.684%0.83879%0.785SS**  cis-127.6-130.7-13.242.1-22.1000112.8
301G28.6Very low33.9Very low63 Ų63132.6 Ų132.665%0.64979%0.785SS**  trans-162.2-170.1-179.700000113.9
302S32.3Very low33.9Very low130 Ų130133.3 Ų133.391%0.90979%0.791SS**  trans-161.5162.3177.2-82.50000114.1
303R33.1Very low33.7Very low241 Ų241131 Ų13191%0.90978%0.781SS**  trans-77.8178.1165.4-82.6-178.3175.2-164.3-1.1110.2
304P45.3Very low34Very low128 Ų128134.8 Ų134.883%0.83179%0.79SS**  cis-139.6-147.124.942.9-21.1000113
305A27.4Very low33.9Very low82 Ų82131 Ų13168%0.67878%0.783SS**  -161.8179.6-66.500000107.9
306S32.5Very low34.1Very low111 Ų111127.8 Ų127.878%0.77679%0.787SS**  trans72.2145.6155.648.90000124.2
307S31.5Very low34.4Very low96 Ų96130.2 Ų130.267%0.67180%0.795SS**  trans67.6101.9148.856.30000122.6
308E28.7Very low34.7Very low185 Ų185129.2 Ų129.286%0.86480%0.795SS**  39.1122.8112.7-60.8171.5146.600121.1
309S32.8Very low35.1Very low124 Ų124129.7 Ų129.787%0.86780%0.799SS**  -174.8148117.223.70000112.2
310D28.8Very low34.1Very low152 Ų152130.6 Ų130.681%0.81380%0.802SS**  trans-77154.7171.1-58.1-79.9000112.5
311V33Very low33.5Very low140 Ų140132.5 Ų132.585%0.84880%0.804SS**  176158.6100.7-81.40000112.5
312A32Very low34.3Very low92 Ų92134.3 Ų134.376%0.7680%0.803SS**  trans58.3109.3162.600000117.5
313S31.8Very low34.8Very low97 Ų97137.1 Ų137.168%0.67880%0.802SS**  71.7104.469.7-168.40000114.7
314V35.1Very low34.6Very low147 Ų147129.5 Ų129.589%0.89180%0.798SS**  trans-137.1127.7140.9179.60000106.3
315E31.8Very low34.4Very low164 Ų164128.8 Ų128.877%0.76680%0.803SS**  trans-82.8150.6-179.5-66.3152.1142.100111.4
316A36Very low34.7Very low98 Ų98128.3 Ų128.381%0.8181%0.805SS**  trans-144.378.8169.300000108.9T318A316-T318 PolarHBondContact O-N 2.85Å
317E34.8Very low35Very low180 Ų180132.3 Ų132.384%0.84181%0.809SS**  trans-68.9122.7178.1-57.8-17512300111.2
318T34.5Very low35.4Very low133 Ų133134.8 Ų134.882%0.81681%0.813SS**  trans-134.678.3159.660.80000111.1A316A316-T318 PolarHBondContact O-N 2.85Å
319S39.3Very low36.2Very low110 Ų110133 Ų13377%0.76981%0.809SS**  trans45.3107145.2-51.20000119.2
320T39.2Very low36.5Very low140 Ų140136.9 Ų136.986%0.85981%0.81SS**  trans-61.7134.6148.149.20000110.7
321L34Very low37.1Very low169 Ų169135.4 Ų135.489%0.88581%0.811SS**  trans-127.8138.7162-101.1171.2000109.4
322T46.8Very low37.9Very low101 Ų101131.9 Ų131.962%0.6280%0.803SS**  trans-120.9153.6-174.1480000112.5
323H41.7Very low39.3Very low190 Ų190131.6 Ų131.688%0.8879%0.788SS**  trans71.3135.5168-47.4-58.3000117.9
324G30.2Very low40.1Very low80 Ų80131.4 Ų131.483%0.82579%0.785SS**  trans158.4116.117900000109.3
325A40.9Very low41.4Very low114 Ų114128.2 Ų128.294%0.94277%0.766SS**  trans-86.6124.4-179.500000110.6
326G32.6Very low42.6Very low71 Ų71126.5 Ų126.573%0.73276%0.758SS**  trans146.7125.1170.400000115.3
327K38.5Very low43.9Very low196 Ų196125 Ų12585%0.85275%0.745SS**  trans24.2113.5153.4-69.7179.1176.2178.30119.6
328I40.6Very low45.2Very low148 Ų148120.7 Ų120.776%0.75973%0.731SS**  trans82.699140.5-55.2168000117.7
329L45.4Very low46.7Very low148 Ų148121 Ų12178%0.77572%0.717SS**  trans36.4126.2134.2-70.3162.1000121.2
330F38.8Very low48.1Very low204 Ų204118.3 Ų118.390%0.89570%0.701SS**  trans-132.2162133-96.1-77.1000111.4G332F330-G332 PolarHBondContact O-N 3.34Å
331C41.2Very low49.4Very low121 Ų121120.9 Ų120.982%0.81870%0.695SS**  trans-91.3106.6-151.4-49.60000114.5
332G50.8Low50.9Low67 Ų67121.4 Ų121.469%0.69169%0.686SS**  trans-69.9146.3159.200000111.6F330 P334F330-G332 PolarHBondContact O-N 3.34Å; G332-P334 WeakPolarHBondContact O-CD 3.33Å
333N60.9Low51.7Low85 Ų85122.2 Ų122.246%0.45568%0.682SS.*  trans-62.2117.6-177.3-178.2-19.5000111.3V335 Q336 A337N333-V335 PolarHBondContact O-N 3.15Å; N333-V335 VanDerWaalsContact O-N 3.12Å; N333-V335 WeakPolarHBondContact OD1-CB 3.21Å; N333-V335 WeakPolarHBondContact OD1-CG2 3.37Å; N333-V335 PolarHBondContact OD1-N 3.43Å; N333-Q336 PolarHBondContact O-N 2.86Å; N333-A337 PolarHBondContact O-N 3.08Å
334P50Low52.5Low93 Ų93121.5 Ų121.560%0.60468%0.677SS**Hα-helixtrans-62.7-25.7-175.424.9-34.2000112.9G332 Q336 A337 V338G332-P334 WeakPolarHBondContact O-CD 3.33Å; P334-Q336 VanDerWaalsContact C-N 3.27Å; P334-Q336 PolarHBondContact O-N 3.13Å; P334-A337 PolarHBondContact O-N 3.24Å; P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 3.2Å
335V60.7Low53.7Low81 Ų81123.7 Ų123.749%0.49167%0.669SS.*Hα-helixtrans-71.5-20.9178.3-167.20000112.2N333 R339N333-V335 PolarHBondContact O-N 3.15Å; N333-V335 VanDerWaalsContact O-N 3.12Å; N333-V335 WeakPolarHBondContact OD1-CB 3.21Å; N333-V335 WeakPolarHBondContact OD1-CG2 3.37Å; N333-V335 PolarHBondContact OD1-N 3.43Å; V335-R339 WeakPolarHBondContact O-CB 3.44Å; V335-R339 PolarHBondContact O-N 3.35Å; V335-R339 PolarHBondContact O-NE 3.27Å
336Q58.8Low54.1Low127 Ų127124.9 Ų124.959%0.59366%0.659SS**Hα-helixtrans-81.7-43.3169.4-78.9176.8-63.900111.4N333 P334 V338 R339 A340N333-Q336 PolarHBondContact O-N 2.86Å; P334-Q336 VanDerWaalsContact C-N 3.27Å; P334-Q336 PolarHBondContact O-N 3.13Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 3.02Å; Q336-R339 PolarHBondContact O-N 3.26Å; Q336-R339 VanDerWaalsContact O-N 3.16Å; Q336-A340 WeakPolarHBondContact O-CB 3.44Å; Q336-A340 PolarHBondContact O-N 2.95Å
337A61.3Low54.9Low66 Ų66127.1 Ų127.155%0.54566%0.659SS.*Hα-helixtrans-58.8-42.2176.600000112.3N333 P334 R341N333-A337 PolarHBondContact O-N 3.08Å; P334-A337 PolarHBondContact O-N 3.24Å; A337-R341 WeakPolarHBondContact O-CB 3.49Å; A337-R341 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-N 3.09Å
338V62.1Low54.8Low90 Ų90121.2 Ų121.255%0.54565%0.647SS.*Hα-helixtrans-69.2-35.8176.2173.50000112.3P334 Q336 R342P334-V338 WeakPolarHBondContact O-CG2 3.48Å; P334-V338 PolarHBondContact O-N 3.2Å; Q336-V338 VanDerWaalsContact C-N 3.32Å; Q336-V338 PolarHBondContact O-N 3.02Å; V338-R342 PolarHBondContact O-N 3.22Å
339R68Low54.7Low140 Ų140120 Ų12053%0.52865%0.649SS.*Hα-helixtrans-67.1-50.5174.9-92.3-174.8-83.8-172.4-6.4112.2V335 Q336 R341 R342 E343V335-R339 WeakPolarHBondContact O-CB 3.44Å; V335-R339 PolarHBondContact O-N 3.35Å; V335-R339 PolarHBondContact O-NE 3.27Å; Q336-R339 PolarHBondContact O-N 3.26Å; Q336-R339 VanDerWaalsContact O-N 3.16Å; R339-R341 PolarHBondContact O-N 3.46Å; R339-R342 PolarHBondContact O-N 3.32Å; R339-E343 PolarHBondContact O-N 2.93Å
340A67.1Low54.5Low53 Ų53119.7 Ų119.744%0.43865%0.653SS.*Hα-helixtrans-57.6-35.1176.400000112.4Q336 K344Q336-A340 WeakPolarHBondContact O-CB 3.44Å; Q336-A340 PolarHBondContact O-N 2.95Å; A340-K344 PolarHBondContact O-N 2.96Å; A340-K344 VanDerWaalsContact O-N 3.12Å
341R66.2Low54.1Low194 Ų194121.3 Ų121.373%0.73265%0.653SS**Hα-helixtrans-72.5-32.2175.1-164.9171.8-175.2172.11.4113.3A337 R339 L345A337-R341 WeakPolarHBondContact O-CB 3.49Å; A337-R341 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-N 3.09Å; R339-R341 PolarHBondContact O-N 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.48Å; R341-L345 WeakPolarHBondContact O-CG 3.35Å
342R65.7Low53.7Low180 Ų180120.9 Ų120.968%0.67965%0.652SS**Hα-helixtrans-72.3-43.2171.4-87-173.2167.1-168.1-3.8112.2V338 R339 K344 L345 N346V338-R342 PolarHBondContact O-N 3.22Å; R339-R342 PolarHBondContact O-N 3.32Å; R342-K344 PolarHBondContact O-N 3.43Å; R342-L345 PolarHBondContact O-N 3.33Å; R342-L345 VanDerWaalsContact O-N 3.09Å; R342-N346 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-N 3.16Å
343E63.3Low52.8Low118 Ų118123 Ų12355%0.55166%0.656SS**Hα-helixtrans-62-43.3179.6-74.5155.6-164.100111.1R339 L345 N346R339-E343 PolarHBondContact O-N 2.93Å; E343-L345 PolarHBondContact O-N 2.95Å; E343-N346 PolarHBondContact O-N 3.07Å
344K60.4Low51.3Low176 Ų176126.8 Ų126.877%0.76568%0.675SS**THydrogen-bonded Turntrans-61.8-21.7172.7-88.6-168171-1730115.5A340 R342A340-K344 PolarHBondContact O-N 2.96Å; A340-K344 VanDerWaalsContact O-N 3.12Å; R342-K344 PolarHBondContact O-N 3.43Å
345L54.4Low50.4Low125 Ų125128.7 Ų128.765%0.65469%0.685SS**THydrogen-bonded Turntrans-90.7-22.8177.8-71.3170.6000112.7R341 R342 E343 T347R341-L345 WeakPolarHBondContact O-CD1 3.48Å; R341-L345 WeakPolarHBondContact O-CG 3.35Å; R342-L345 PolarHBondContact O-N 3.33Å; R342-L345 VanDerWaalsContact O-N 3.09Å; E343-L345 PolarHBondContact O-N 2.95Å; L345-T347 VanDerWaalsContact C-N 3.34Å
346N50.3Low48.9Very low139 Ų139132 Ų13274%0.74370%0.699SS**THydrogen-bonded Turntrans-84.1-4.7-178.7-72.4-7.1000114R342 E343R342-N346 PolarHBondContact O-N 3.44Å; R342-N346 VanDerWaalsContact O-N 3.16Å; E343-N346 PolarHBondContact O-N 3.07Å
347T47.5Very low47.9Very low118 Ų118136.3 Ų136.372%0.72471%0.71SS**THydrogen-bonded Turntrans-107.811.9-178.257.60000114.2L345L345-T347 VanDerWaalsContact C-N 3.34Å
348A36.8Very low46.6Very low73 Ų73140.5 Ų140.560%0.60372%0.723SS**SBendtrans-87.7133.117200000110.6T350A348-T350 PolarHBondContact O-N 3.44Å
349P40.1Very low45.2Very low123 Ų123144.3 Ų144.380%0.79974%0.74SS**PPolyproline II helixtrans-74.7125.9-17628.6-33.7000112R351P349-R351 PolarHBondContact O-N 3.27Å
350T40.8Very low43.8Very low141 Ų141143.3 Ų143.387%0.86575%0.751SS**PPolyproline II helixtrans-62.5117.7170.943.60000111.2A348A348-T350 PolarHBondContact O-N 3.44Å
351R30.6Very low42.2Very low237 Ų237148.5 Ų148.589%0.89477%0.77SS**  trans-117.9100.1169.6-113.1-175.2174.8-175.1-1.9110.7P349P349-R351 PolarHBondContact O-N 3.27Å
352S31.2Very low40.5Very low112 Ų112147.4 Ų147.478%0.78377%0.773SS**  trans-89.3158.9158.950.60000110.1
353S33Very low39.2Very low111 Ų111144.2 Ų144.278%0.77677%0.773SS**  trans68.794.1179.1-177.30000116.4
354L29.5Very low37.9Very low166 Ų166142.7 Ų142.787%0.86977%0.774SS**  trans-133.9150138.5-78.2-178.9000109.1
355V30.8Very low37Very low133 Ų133143.5 Ų143.581%0.80678%0.78SS**  trans-122.2154.3172.4175.10000107.5
356L28Very low36.1Very low151 Ų151144.9 Ų144.979%0.79178%0.783SS**SBendtrans85.8131.3171.6-14275.2000116.4
357R38.7Very low35.7Very low216 Ų216144.9 Ų144.982%0.81579%0.788SS**  trans-4.3116.7157.8-55.9178.8175.2-150.4-5.3116.7
358D33.1Very low35.2Very low154 Ų154148.4 Ų148.482%0.82479%0.79SS**  -169148.192.1-84.5-25.6000109.9
359L34.5Very low35.6Very low170 Ų170152.7 Ų152.789%0.8980%0.802SS**  trans-108.7121.8-177.8-79.7171.1000111.2
360P37.5Very low35.5Very low119 Ų119154 Ų15477%0.77380%0.802SS**PPolyproline II helixtrans-67.9140.6166.4-16.230.7000111H362P360-H362 PolarHBondContact O-N 3.44Å
361I34.7Very low35.9Very low163 Ų163154.8 Ų154.884%0.83680%0.801SS**PPolyproline II helixtrans-67.3128.7175.3-64.2166.7000109.2
362H29.6Very low36.6Very low170 Ų170150.5 Ų150.579%0.78779%0.791SS**PPolyproline II helixtrans-83.7127.8175.9-169.367.9000110.2P360P360-H362 PolarHBondContact O-N 3.44Å
363V37.3Very low37.6Very low114 Ų114148.5 Ų148.569%0.69178%0.775SS**  trans-104.9118.2176.5179.50000108.5
364P37.8Very low38.6Very low86 Ų86149 Ų14956%0.55877%0.769SS**  trans-71.9133174.7-17.932.2000112H366P364-H366 PolarHBondContact O-N 3.01Å
365E40.8Very low39.9Very low193 Ų193145.1 Ų145.190%0.90275%0.754SS**  trans-77.6105.2167.6-69.2-175133.100110.2
366H35Very low41Very low153 Ų153146 Ų14671%0.70875%0.749SS**  trans-129.9118.9165.6-75.9-54.3000111.3P364 Y368P364-H366 PolarHBondContact O-N 3.01Å; H366-Y368 HydrophobicContact CB-CD2 4.31Å; H366-Y368 HydrophobicContact CB-CE2 4.32Å; H366-Y368 PolarHBondContact O-N 2.96Å; H366-Y368 VanDerWaalsContact O-N 3.16Å
367T43Very low42.3Very low140 Ų140144.4 Ų144.486%0.85974%0.738SS**  trans-69106.3175.1-52.20000110.4
368Y36.5Very low43.1Very low192 Ų192139.4 Ų139.475%0.75372%0.719SS**  trans-124.2130.2160.9-80-85.8000108.2H366 L370H366-Y368 HydrophobicContact CB-CD2 4.31Å; H366-Y368 HydrophobicContact CB-CE2 4.32Å; H366-Y368 PolarHBondContact O-N 2.96Å; H366-Y368 VanDerWaalsContact O-N 3.16Å; Y368-L370 PolarHBondContact O-N 3.15Å
369D44Very low44.2Very low162 Ų162136.3 Ų136.387%0.86671%0.706SS**  trans-67.4102.9174-72.3-51.7000109.6
370L39.2Very low45.8Very low151 Ų151133.3 Ų133.379%0.79169%0.69SS**  trans-86.5107.6169.5-67.3177.5000108.9Y368 E372Y368-L370 PolarHBondContact O-N 3.15Å; L370-E372 PolarHBondContact O-N 3.11Å
371N49.1Very low47.4Very low157 Ų157131.5 Ų131.584%0.8468%0.677SS**  trans-61.1113.3150.9-73.6-21.9000106.6P373N371-P373 WeakPolarHBondContact O-CD 3.3Å
372E44.9Very low49.2Very low148 Ų148130 Ų13069%0.69266%0.664SS**PPolyproline II helixtrans-66.2125.1173.9-72.5-154.891.200109.6L370 R378L370-E372 PolarHBondContact O-N 3.11Å; E372-R378 IonicContact OE1-CZ 3.41Å; E372-R378 IonicContact OE1-NH1 3.18Å; E372-R378 PolarHBondContact OE1-NH1 3.22Å; E372-R378 IonicContact OE1-NH2 2.71Å; E372-R378 PolarHBondContact OE1-NH2 2.97Å
373P52Low51.4Low70 Ų70123.8 Ų123.846%0.45564%0.643SS.*PPolyproline II helixtrans-69.8146.5165.329.2-32.9000109.6N371 E377 R378N371-P373 WeakPolarHBondContact O-CD 3.3Å; P373-E377 WeakPolarHBondContact CB-OE2 3.26Å; P373-R378 PolarHBondContact O-NE 3.12Å; P373-R378 PolarHBondContact O-NH2 3.41Å
374D53.6Low53.4Low120 Ų120125.1 Ų125.164%0.64264%0.641SS**PPolyproline II helixtrans-56151.1-172.9-106-34.6000112.4E376 E377D374-E376 PolarHBondContact O-N 3.39Å; D374-E376 VanDerWaalsContact O-N 3.15Å; D374-E377 PolarHBondContact O-N 2.98Å
375P57Low55.3Low86 Ų86125.2 Ų125.256%0.55864%0.637SS**Hα-helixtrans-65.5-21.5-17627.7-33.1000112.7R378 V379P375-R378 PolarHBondContact O-N 3.48Å; P375-V379 WeakPolarHBondContact O-CG2 3.39Å; P375-V379 PolarHBondContact O-N 3.16Å; P375-V379 VanDerWaalsContact O-N 3.15Å
376E55.3Low57.2Low150 Ų150122.3 Ų122.370%0.70162%0.618SS**Hα-helixtrans-65.8-40.6175.9-58.9-168.5168.200112.2D374 R378 V379 N380D374-E376 PolarHBondContact O-N 3.39Å; D374-E376 VanDerWaalsContact O-N 3.15Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.09Å; E376-V379 PolarHBondContact O-N 3.21Å; E376-N380 PolarHBondContact O-N 2.98Å; E376-N380 PolarHBondContact O-ND2 3Å
377E54.6Low59.5Low119 Ų119117.7 Ų117.756%0.55661%0.606SS**Hα-helixtrans-63.7-38.4175.3-66.6-165.6137.600111.5P373 D374 V379 N380 V381P373-E377 WeakPolarHBondContact CB-OE2 3.26Å; D374-E377 PolarHBondContact O-N 2.98Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.2Å; E377-N380 PolarHBondContact O-N 2.86Å; E377-V381 WeakPolarHBondContact O-CG2 3.36Å; E377-V381 PolarHBondContact O-N 3.09Å
378R55.5Low61.6Low110 Ų110118.5 Ų118.542%0.41559%0.593SS.*Hα-helixtrans-61.7-40.7175.5-57.6-176.3-170.1-177.78.5111.3E372 P373 P375 E376 F382E372-R378 IonicContact OE1-CZ 3.41Å; E372-R378 IonicContact OE1-NH1 3.18Å; E372-R378 PolarHBondContact OE1-NH1 3.22Å; E372-R378 IonicContact OE1-NH2 2.71Å; E372-R378 PolarHBondContact OE1-NH2 2.97Å; P373-R378 PolarHBondContact O-NE 3.12Å; P373-R378 PolarHBondContact O-NH2 3.41Å; P375-R378 PolarHBondContact O-N 3.48Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.09Å; R378-F382 WeakPolarHBondContact O-CD2 3.43Å; R378-F382 PolarHBondContact O-N 3.16Å; R378-F382 VanDerWaalsContact O-N 3.17Å
379V56.5Low63.7Low90 Ų90116 Ų11655%0.54558%0.582SS.*Hα-helixtrans-64.8-41176.2172.30000111.2P375 E376 E377 F382 A383P375-V379 WeakPolarHBondContact O-CG2 3.39Å; P375-V379 PolarHBondContact O-N 3.16Å; P375-V379 VanDerWaalsContact O-N 3.15Å; E376-V379 PolarHBondContact O-N 3.21Å; E377-V379 VanDerWaalsContact C-N 3.32Å; E377-V379 PolarHBondContact O-N 3.2Å; V379-F382 PolarHBondContact O-N 3.04Å; V379-A383 WeakPolarHBondContact O-CB 3.5Å; V379-A383 PolarHBondContact O-N 2.81Å
380N67.9Low65.7Low107 Ų107113.4 Ų113.457%0.57257%0.565SS**Hα-helixtrans-62.6-47.5177.6-72.3-27.5000112.2E376 E377 F382 A383 E384E376-N380 PolarHBondContact O-N 2.98Å; E376-N380 PolarHBondContact O-ND2 3Å; E377-N380 PolarHBondContact O-N 2.86Å; N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.44Å; N380-A383 WeakPolarHBondContact O-CA 3.38Å; N380-A383 WeakPolarHBondContact O-CB 3.45Å; N380-A383 PolarHBondContact O-N 3.09Å; N380-E384 PolarHBondContact O-N 3.15Å
381V71.3Confident67.8Low80 Ų80112.3 Ų112.349%0.48556%0.556SS.*Hα-helixtrans-60-41.4176.4175.10000111.4E377 A383 E384 L385E377-V381 WeakPolarHBondContact O-CG2 3.36Å; E377-V381 PolarHBondContact O-N 3.09Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.45Å; V381-E384 PolarHBondContact O-N 3.31Å; V381-L385 VanDerWaalsContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CB 3.38Å; V381-L385 PolarHBondContact O-N 3.31Å
382F72.4Confident69.3Low131 Ų131109.1 Ų109.158%0.57554%0.536SS*.Hα-helixtrans-71.4-23.8175-75.1-59.5000113.9R378 V379 N380 R386R378-F382 WeakPolarHBondContact O-CD2 3.43Å; R378-F382 PolarHBondContact O-N 3.16Å; R378-F382 VanDerWaalsContact O-N 3.17Å; V379-F382 PolarHBondContact O-N 3.04Å; N380-F382 VanDerWaalsContact C-N 3.32Å; N380-F382 PolarHBondContact O-N 3.44Å; F382-R386 VanDerWaalsContact O-CG 3.32Å; F382-R386 WeakPolarHBondContact O-CG 3.48Å; F382-R386 PolarHBondContact O-N 3.16Å; F382-R386 PolarHBondContact O-NE 3.04Å
383A74.9Confident71.2Confident41 Ų41105.6 Ų105.634%0.33953%0.528SS..Hα-helixtrans-72-47.8170.700000111.6V379 N380 V381 L385 R386 A387V379-A383 WeakPolarHBondContact O-CB 3.5Å; V379-A383 PolarHBondContact O-N 2.81Å; N380-A383 WeakPolarHBondContact O-CA 3.38Å; N380-A383 WeakPolarHBondContact O-CB 3.45Å; N380-A383 PolarHBondContact O-N 3.09Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.45Å; A383-L385 PolarHBondContact O-N 2.89Å; A383-R386 WeakPolarHBondContact O-CB 3.3Å; A383-R386 PolarHBondContact O-N 3.27Å; A383-A387 PolarHBondContact O-N 2.92Å
384E80.3Confident72.9Confident141 Ų141108 Ų10866%0.65953%0.531SS*.Hα-helixtrans-58.2-45.9175-173.3177.1-162.700111.5N380 V381 R386 A387 W388N380-E384 PolarHBondContact O-N 3.15Å; V381-E384 PolarHBondContact O-N 3.31Å; E384-R386 PolarHBondContact O-N 3.29Å; E384-A387 PolarHBondContact O-N 2.84Å; E384-A387 VanDerWaalsContact O-N 3.15Å; E384-W388 WeakPolarHBondContact O-CB 3.38Å; E384-W388 PolarHBondContact O-N 2.86Å
385L77.2Confident74Confident88 Ų88107 Ų10746%0.46152%0.523SS..Hα-helixtrans-72.6-7.4178.1-145.7151000113.1V381 A383 R389V381-L385 VanDerWaalsContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CB 3.38Å; V381-L385 PolarHBondContact O-N 3.31Å; A383-L385 PolarHBondContact O-N 2.89Å; L385-R389 PolarHBondContact O-NE 3.21Å; L385-R389 PolarHBondContact O-NH2 3.02Å
386R81.4Confident75.1Confident133 Ų133107.4 Ų107.450%0.50252%0.519SS..Hα-helixtrans-88.1-48.9163.4-77.2176.1-66-132.8-2.2110.9F382 A383 E384 W388 R389 E390F382-R386 VanDerWaalsContact O-CG 3.32Å; F382-R386 WeakPolarHBondContact O-CG 3.48Å; F382-R386 PolarHBondContact O-N 3.16Å; F382-R386 PolarHBondContact O-NE 3.04Å; A383-R386 WeakPolarHBondContact O-CB 3.3Å; A383-R386 PolarHBondContact O-N 3.27Å; E384-R386 PolarHBondContact O-N 3.29Å; R386-W388 VanDerWaalsContact C-N 3.32Å; R386-W388 PolarHBondContact O-N 3.38Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-R389 VanDerWaalsContact O-N 3.09Å; R386-E390 PolarHBondContact O-N 2.85Å
387A83.6Confident76.2Confident55 Ų55102.9 Ų102.946%0.45551%0.507SS..Hα-helixtrans-56.5-43.9177.900000112.3A383 E384 R389 E390 Q391A383-A387 PolarHBondContact O-N 2.92Å; E384-A387 PolarHBondContact O-N 2.84Å; E384-A387 VanDerWaalsContact O-N 3.15Å; A387-R389 PolarHBondContact O-N 3.12Å; A387-E390 PolarHBondContact O-N 3.37Å; A387-Q391 WeakPolarHBondContact O-CB 3.29Å; A387-Q391 PolarHBondContact O-N 2.91Å
388W85.4Confident77.4Confident157 Ų157100.9 Ų100.960%0.59550%0.5SS*.Hα-helixtrans-61.4-41.8175.7-169.395.9000112.4E384 R386 Q391 H392E384-W388 WeakPolarHBondContact O-CB 3.38Å; E384-W388 PolarHBondContact O-N 2.86Å; R386-W388 VanDerWaalsContact C-N 3.32Å; R386-W388 PolarHBondContact O-N 3.38Å; W388-Q391 PolarHBondContact O-N 3.22Å; W388-H392 HydrophobicContact CE3-CB 4.21Å; W388-H392 HydrophobicContact CH2-CB 4.31Å; W388-H392 AromaticContact CH2-CD2 3.6Å; W388-H392 HydrophobicContact CZ3-CB 3.98Å; W388-H392 WeakPolarHBondContact O-CB 3.42Å; W388-H392 PolarHBondContact O-N 3.45Å
389R82Confident78.4Confident139 Ų13998.9 Ų98.953%0.52550%0.497SS..Hα-helixtrans-65.9-38.9176.3-88.2-176.8-74.7-179.7-7.2112.3L385 R386 A387 S393L385-R389 PolarHBondContact O-NE 3.21Å; L385-R389 PolarHBondContact O-NH2 3.02Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-R389 VanDerWaalsContact O-N 3.09Å; A387-R389 PolarHBondContact O-N 3.12Å; R389-S393 VanDerWaalsContact O-CB 3.29Å; R389-S393 WeakPolarHBondContact O-CB 3.46Å; R389-S393 PolarHBondContact O-N 3.18Å
390E85.8Confident79.2Confident109 Ų109101.2 Ų101.251%0.50950%0.502SS..Hα-helixtrans-64.5-43.6172-79.6-169-145.200112.5R386 A387 S393 K394R386-E390 PolarHBondContact O-N 2.85Å; A387-E390 PolarHBondContact O-N 3.37Å; E390-S393 PolarHBondContact O-N 2.96Å; E390-K394 WeakPolarHBondContact O-CB 3.44Å; E390-K394 WeakPolarHBondContact O-CD 3.4Å; E390-K394 WeakPolarHBondContact O-CG 3.36Å; E390-K394 PolarHBondContact O-N 3.17Å; E390-K394 IonicContact OE2-NZ 2.75Å; E390-K394 PolarHBondContact OE2-NZ 3.22Å
391Q82.3Confident79.4Confident127 Ų127103.9 Ų103.959%0.59351%0.508SS*.Hα-helixtrans-64.4-41.9178.7-173.8171.5-11.400111.4A387 W388 K394 Q395A387-Q391 WeakPolarHBondContact O-CB 3.29Å; A387-Q391 PolarHBondContact O-N 2.91Å; W388-Q391 PolarHBondContact O-N 3.22Å; Q391-K394 PolarHBondContact O-N 3.43Å; Q391-Q395 WeakPolarHBondContact O-CG 3.21Å; Q391-Q395 PolarHBondContact O-N 2.91Å
392H81.4Confident79.4Confident90 Ų90107.1 Ų107.142%0.41752%0.518SS..Hα-helixtrans-64.1-41173.3-169.9-86.2000112.1W388 Q395 L396W388-H392 HydrophobicContact CE3-CB 4.21Å; W388-H392 HydrophobicContact CH2-CB 4.31Å; W388-H392 AromaticContact CH2-CD2 3.6Å; W388-H392 HydrophobicContact CZ3-CB 3.98Å; W388-H392 WeakPolarHBondContact O-CB 3.42Å; W388-H392 PolarHBondContact O-N 3.45Å; H392-Q395 PolarHBondContact O-N 3.03Å; H392-L396 WeakPolarHBondContact O-CG 3.16Å; H392-L396 PolarHBondContact O-N 3.48Å
393S85.8Confident79Confident75 Ų75110.9 Ų110.952%0.52453%0.528SS..Hα-helixtrans-62.3-44.7174.2-173.50000112.1R389 E390 Q395 L396 A397R389-S393 VanDerWaalsContact O-CB 3.29Å; R389-S393 WeakPolarHBondContact O-CB 3.46Å; R389-S393 PolarHBondContact O-N 3.18Å; E390-S393 PolarHBondContact O-N 2.96Å; S393-Q395 VanDerWaalsContact C-N 3.34Å; S393-Q395 PolarHBondContact O-N 3.05Å; S393-L396 PolarHBondContact O-N 3.36Å; S393-A397 PolarHBondContact O-N 2.96Å
394K87.1Confident78Confident119 Ų119114.4 Ų114.452%0.51754%0.541SS..Hα-helixtrans-60.8-40.8175-70.5159.9-168.3165.60111.3E390 Q391 A397 I398E390-K394 WeakPolarHBondContact O-CB 3.44Å; E390-K394 WeakPolarHBondContact O-CD 3.4Å; E390-K394 WeakPolarHBondContact O-CG 3.36Å; E390-K394 PolarHBondContact O-N 3.17Å; E390-K394 IonicContact OE2-NZ 2.75Å; E390-K394 PolarHBondContact OE2-NZ 3.22Å; Q391-K394 PolarHBondContact O-N 3.43Å; K394-A397 PolarHBondContact O-N 3.44Å; K394-I398 WeakPolarHBondContact O-CD1 3.36Å; K394-I398 VanDerWaalsContact O-CG1 3.3Å; K394-I398 WeakPolarHBondContact O-CG1 3.5Å; K394-I398 PolarHBondContact O-N 3.47Å
395Q77.3Confident76.3Confident101 Ų101113.1 Ų113.147%0.47255%0.545SS..Hα-helixtrans-65-44.4174.2-74.3-67.3-22.200112.8Q391 H392 S393 A397 I398 I399Q391-Q395 WeakPolarHBondContact O-CG 3.21Å; Q391-Q395 PolarHBondContact O-N 2.91Å; H392-Q395 PolarHBondContact O-N 3.03Å; S393-Q395 VanDerWaalsContact C-N 3.34Å; S393-Q395 PolarHBondContact O-N 3.05Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; Q395-A397 PolarHBondContact O-N 3.28Å; Q395-I398 PolarHBondContact O-N 3.36Å; Q395-I399 WeakPolarHBondContact O-CG1 3.43Å; Q395-I399 PolarHBondContact O-N 3.37Å
396L78.6Confident75.1Confident93 Ų93117.3 Ų117.349%0.48756%0.562SS.*Hα-helixtrans-60.5-42.1174.9-72.2176000112H392 S393 I398 I399 E400H392-L396 WeakPolarHBondContact O-CG 3.16Å; H392-L396 PolarHBondContact O-N 3.48Å; S393-L396 PolarHBondContact O-N 3.36Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.2Å; L396-I399 PolarHBondContact O-N 2.9Å; L396-E400 WeakPolarHBondContact O-CB 3.48Å; L396-E400 PolarHBondContact O-N 2.75Å
397A78.1Confident73.6Confident55 Ų55116.8 Ų116.846%0.45557%0.574SS.*Hα-helixtrans-65.3-32.9176.800000113.1S393 K394 Q395 K401S393-A397 PolarHBondContact O-N 2.96Å; K394-A397 PolarHBondContact O-N 3.44Å; Q395-A397 VanDerWaalsContact C-N 3.33Å; Q395-A397 PolarHBondContact O-N 3.28Å; A397-K401 VanDerWaalsContact O-CB 3.26Å; A397-K401 WeakPolarHBondContact O-CB 3.37Å; A397-K401 PolarHBondContact O-N 3.04Å
398I81Confident71.6Confident77 Ų77121.6 Ų121.640%0.39559%0.591SS.*Hα-helixtrans-67-49.4171.6-68.8162000110.1K394 Q395 L396 E400 K401 E402K394-I398 WeakPolarHBondContact O-CD1 3.36Å; K394-I398 VanDerWaalsContact O-CG1 3.3Å; K394-I398 WeakPolarHBondContact O-CG1 3.5Å; K394-I398 PolarHBondContact O-N 3.47Å; Q395-I398 PolarHBondContact O-N 3.36Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.2Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.71Å; I398-K401 WeakPolarHBondContact O-CB 3.5Å; I398-K401 PolarHBondContact O-N 3.22Å; I398-K401 VanDerWaalsContact O-N 3.15Å; I398-E402 HydrophobicContact CG2-CG 4.45Å; I398-E402 WeakPolarHBondContact O-CG 3.4Å; I398-E402 PolarHBondContact O-N 3.45Å
399I76.2Confident69.8Low68 Ų68118.9 Ų118.935%0.34959%0.591SS.*Hα-helixtrans-61-37.2178.9-67.2163000111.6Q395 L396 R403Q395-I399 WeakPolarHBondContact O-CG1 3.43Å; Q395-I399 PolarHBondContact O-N 3.37Å; L396-I399 PolarHBondContact O-N 2.9Å; I399-R403 WeakPolarHBondContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CG 3.46Å; I399-R403 PolarHBondContact O-N 2.93Å; I399-R403 VanDerWaalsContact O-N 3.08Å
400E73Confident68Low140 Ų140118.3 Ų118.365%0.65460%0.597SS**Hα-helixtrans-68.3-44.2174.9-172.6164.7-145.400111.4L396 I398 E402 R403 L404L396-E400 WeakPolarHBondContact O-CB 3.48Å; L396-E400 PolarHBondContact O-N 2.75Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.71Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3.18Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 VanDerWaalsContact O-N 3.15Å; E400-L404 PolarHBondContact O-N 3.42Å
401K72.3Confident65.8Low162 Ų162120.7 Ų120.770%0.70461%0.608SS**Hα-helixtrans-62-37.3175-173.7-179179.4-175.30112.9A397 I398A397-K401 VanDerWaalsContact O-CB 3.26Å; A397-K401 WeakPolarHBondContact O-CB 3.37Å; A397-K401 PolarHBondContact O-N 3.04Å; I398-K401 WeakPolarHBondContact O-CB 3.5Å; I398-K401 PolarHBondContact O-N 3.22Å; I398-K401 VanDerWaalsContact O-N 3.15Å
402E70.8Confident63.6Low149 Ų149122.1 Ų122.170%0.69661%0.614SS**Hα-helixtrans-73.9-24.4175.2-72.8-178.5174.800113.3I398 E400I398-E402 HydrophobicContact CG2-CG 4.45Å; I398-E402 WeakPolarHBondContact O-CG 3.4Å; I398-E402 PolarHBondContact O-N 3.45Å; E400-E402 VanDerWaalsContact C-N 3.34Å; E400-E402 PolarHBondContact O-N 3.18Å
403R64.9Low61.5Low209 Ų209123.1 Ų123.179%0.78963%0.632SS**Hα-helixtrans-83.1-11.4175.8-77.9175.1175.8-161.10.1114I399 E400I399-R403 WeakPolarHBondContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CG 3.46Å; I399-R403 PolarHBondContact O-N 2.93Å; I399-R403 VanDerWaalsContact O-N 3.08Å; E400-R403 PolarHBondContact O-N 3.37Å; E400-R403 VanDerWaalsContact O-N 3.15Å
404L53.8Low59.2Low115 Ų115126.8 Ų126.860%0.60265%0.645SS**SBendtrans-72.7127.7171.9-70.2173.2000110.2E400 Q406E400-L404 PolarHBondContact O-N 3.42Å; L404-Q406 PolarHBondContact O-N 3.15Å; L404-Q406 VanDerWaalsContact O-N 3.13Å
405P45.2Very low57Low114 Ų114130.6 Ų130.674%0.7467%0.665SS**  trans-68.6114-178.427.4-33.8000110.6V407P405-V407 PolarHBondContact O-N 3.2Å
406Q51.7Low55.1Low177 Ų177134.5 Ų134.583%0.82768%0.683SS**  trans-67.6102.4175.7-64.5-177.112.700110.2L404 L408L404-Q406 PolarHBondContact O-N 3.15Å; L404-Q406 VanDerWaalsContact O-N 3.13Å; Q406-L408 PolarHBondContact O-N 3.15Å
407V49.6Very low53.2Low122 Ų122139.4 Ų139.474%0.73970%0.704SS**  trans-75.2104.1172.5179.70000108.3P405 V409P405-V407 PolarHBondContact O-N 3.2Å; V407-V409 HydrophobicContact CG1-CG2 4.23Å; V407-V409 PolarHBondContact O-N 3.03Å
408L41.8Very low51.2Low156 Ų156141 Ų14182%0.81772%0.716SS**  trans-67.193.5171-79.1165.6000110Q406 I410Q406-L408 PolarHBondContact O-N 3.15Å; L408-I410 PolarHBondContact O-N 3.43Å
409V47.3Very low49.1Very low100 Ų100145 Ų14561%0.60673%0.733SS**  trans-76.998.6168.3-174.80000107.9V407 H411V407-V409 HydrophobicContact CG1-CG2 4.23Å; V407-V409 PolarHBondContact O-N 3.03Å; V409-H411 PolarHBondContact O-N 3.2Å; V409-H411 VanDerWaalsContact O-N 3.11Å
410I43.3Very low47.2Very low126 Ų126152.1 Ų152.165%0.64676%0.756SS**  trans-73.6101.7174.1-56.6175.7000107.9L408 H412L408-I410 PolarHBondContact O-N 3.43Å; I410-H412 WeakPolarHBondContact CG2-NE2 3.47Å; I410-H412 PolarHBondContact O-N 3.43Å
411H39.9Very low45.5Very low159 Ų159153.5 Ų153.574%0.73676%0.762SS**  trans-78107168-79.7-93.4000109.2V409V409-H411 PolarHBondContact O-N 3.2Å; V409-H411 VanDerWaalsContact O-N 3.11Å
412H37Very low43.8Very low158 Ų158154.9 Ų154.973%0.73177%0.771SS**  trans-83.5109.4160.7-68.4-77.7000108.1I410I410-H412 WeakPolarHBondContact CG2-NE2 3.47Å; I410-H412 PolarHBondContact O-N 3.43Å
413S37.1Very low42.1Very low111 Ų111157 Ų15778%0.77678%0.781SS**  trans-114.794.7166.854.50000107.9
414D36.4Very low40.9Very low151 Ų151156.5 Ų156.581%0.80779%0.788SS**  trans-75.5118.7168.7-54.5-50.2000108.3
415E42.4Very low39.9Very low199 Ų199159.5 Ų159.593%0.9380%0.799SS**  trans-160.2145.6152-114.6162.1-147.900109
416E37.6Very low39.5Very low184 Ų184162 Ų16286%0.8680%0.8SS**  trans-110.4171.1-165.1-60.5177.3114.400112
417E38.5Very low38.7Very low196 Ų196162 Ų16292%0.91680%0.801SS**  trans70.5143.7170.2-55.3-170.8159.300116.3
418A36.4Very low37.8Very low87 Ų87159.3 Ų159.372%0.71980%0.798SS**  cis-144.6156.50.700000112.7
419E35.1Very low37.2Very low161 Ų161162.4 Ų162.475%0.75281%0.805SS**  trans14119.9148.4-54176.1173.800119.6
420R37.6Very low36.3Very low218 Ų218161 Ų16182%0.82381%0.811SS**  -169.4160.996.4-103.3163.9-148.7175.39.6115.7
421E36.9Very low35.7Very low169 Ų169158.2 Ų158.279%0.7981%0.813SS**  trans-51.6149.5165.5-58.8133.5152.400110
422E37.6Very low35.5Very low191 Ų191159.8 Ų159.889%0.89382%0.823SS**  -153.6146.561.6-80.2163.9171.300112
423E34.9Very low35.3Very low194 Ų194162.5 Ų162.591%0.90783%0.833SS**  trans-90.6130.9160.4-63.9177.9143.900108
424E38.1Very low35.2Very low199 Ų199161.7 Ų161.793%0.9383%0.827SS**  trans-150.8146.8149.9-129.1170.5-136.100111.5
425E33.9Very low35Very low178 Ų178161.6 Ų161.683%0.83283%0.826SS**  trans-85177.2179.5-52.9173.6128.700108.4
426E35.8Very low34.8Very low165 Ų165157 Ų15777%0.77182%0.816SS**  cis-156.7-148.420.5-149.3-174.3-169.400109.8
427E34.7Very low34.6Very low178 Ų178152.9 Ų152.983%0.83281%0.807SS**  trans-32.1159.4176.9-52.6-162.414200119.1
428G30.5Very low34.3Very low66 Ų66151 Ų15168%0.6880%0.803SS**  cis143.7165.18.400000111.1
429F29.6Very low34.6Very low221 Ų221155.1 Ų155.197%0.96981%0.808SS**  trans60.8148.5-168.5-94.6-118.1000113.6
430G29.9Very low34.8Very low70 Ų70154.5 Ų154.572%0.72281%0.81SS**  cis97.6118.331.300000108.6
431G29.6Very low34.7Very low67 Ų67152 Ų15269%0.69181%0.808SS**  cis172179.90.700000108.6
432M36.5Very low34.6Very low192 Ų192151.5 Ų151.595%0.94681%0.805SS**  trans55.3117.5167.7-63.1159.769.600118.2
433K32.1Very low34.6Very low216 Ų216150.5 Ų150.594%0.93980%0.801SS**  trans-150.9139.8146.2-114.6169.5-173178.70111.1
434S35Very low34.5Very low93 Ų93148.2 Ų148.265%0.6579%0.794SS**  trans-133.9169.9172.956.80000108.6
435D31.7Very low34.5Very low150 Ų150145.8 Ų145.880%0.80278%0.783SS**  trans68.5146.7173.6-48.5-39.2000115.8
436S38Very low34.2Very low103 Ų103144.9 Ų144.972%0.7278%0.783SS**  cis-170.9-172.3-22.355.60000108.2
437S34.5Very low34Very low96 Ų96141.7 Ų141.767%0.67178%0.778SS**  trans78.3151.2168.7101.30000115.8
438D32.6Very low33.9Very low156 Ų156140 Ų14083%0.83478%0.775SS**  cis-138.3-175.34.2-86.1-62.4000111.9
439E42.1Very low33.8Very low174 Ų174139.9 Ų139.981%0.81377%0.773SS**  trans-103.5151-166.9-59.6178.4147.300116.9
440D38.9Very low34.2Very low149 Ų149136.6 Ų136.680%0.79777%0.765SS**  trans63.8160.6136.4-68.37.3000127.2
441Q36.1Very low34.6Very low165 Ų165137 Ų13777%0.77176%0.761SS**  trans81.3122.3166.8-71.5-179.8-26.700118.8
442E35.3Very low34.7Very low159 Ų159141 Ų14174%0.74377%0.773SS**  76.913869.3-74.6175.6177.800112.9
443E37.7Very low34.3Very low170 Ų170135.4 Ų135.479%0.79476%0.764SS**  cis-158.3-157.7-7.7-141.5177.8-171.800110
444D32.7Very low34.4Very low145 Ų145131 Ų13178%0.77576%0.76SS**  trans68.3163.1163.7-74.4-16.4000121.5
445E36.6Very low35.6Very low149 Ų149132.1 Ų132.170%0.69677%0.766SS**  cis-180-179.5-44.9-117.8-103.8157.700109.4
446L28.6Very low35.8Very low158 Ų158132.2 Ų132.283%0.82777%0.766SS**  trans102.5121177.5-63143.8000116.5
447C31.4Very low35.4Very low99 Ų99132.5 Ų132.567%0.66977%0.768SS**  cis83.1140.936.4-61.50000114
448D33.1Very low35.5Very low143 Ų143132.6 Ų132.677%0.76577%0.769SS**  cis-160.5177.52.4-156.5-9000112.2
449G27.9Very low35.6Very low62 Ų62133.5 Ų133.564%0.63977%0.766SS**  trans127105.7159.500000115.4
450L38.4Very low35.2Very low153 Ų153132.3 Ų132.380%0.80176%0.76SS**  cis77.7134.843.2-55.1177.9000114.5
451A38.1Very low34.8Very low78 Ų78129.7 Ų129.765%0.64575%0.754SS**  cis-167.6-179.9-7.900000113.6
452T31.9Very low34.4Very low151 Ų151129.9 Ų129.993%0.92676%0.759SS**  trans100.6142.1159.171.10000117.6
453G27Very low34.7Very low75 Ų75127.6 Ų127.677%0.77376%0.761SS**  cis-168.5-178.7-100000112.2
454S34.6Very low36Very low122 Ų122124.8 Ų124.885%0.85376%0.757SS**  trans-108.3-174.7-170.4-26.80000113.5
455P60.4Low35.6Very low118 Ų118124.4 Ų124.477%0.76676%0.755SS**  cis-130.1-175.4-20.839.4-22.2000113.5
456D35.9Very low35.1Very low151 Ų151123.8 Ų123.881%0.80776%0.756SS**  164.3163.7110.2-150.70.1000115.1
457S30.8Very low34.8Very low110 Ų110121.9 Ų121.977%0.76975%0.746SS**  trans77.215717077.70000119.8
458S36.5Very low34.5Very low98 Ų98124.3 Ų124.369%0.68575%0.748SS**  trans-167.8-178.9-155.655.80000115.4
459F33.5Very low34Very low174 Ų174124.4 Ų124.476%0.76374%0.744SS**  trans79.2147156.5-79.9-44.8000119.9
460Q34Very low33.9Very low149 Ų149128.6 Ų128.670%0.69675%0.747SS**  cis-168.6151.1-7.1-160.1164.317.900113.4
461S31.2Very low33.3Very low95 Ų95127.6 Ų127.666%0.66475%0.747SS**  trans58.3164.2149.154.50000122.1
462L26.5Very low32.6Very low169 Ų169128.2 Ų128.289%0.88575%0.747SS**  cis-164.7163.7-24.9-100.4166.7000108.2
463S42.8Very low32.4Very low110 Ų110130.4 Ų130.477%0.76974%0.744SS**  trans-94.4171.1173.8-33.60000111.8
464P63.3Low33.6Very low111 Ų111131.6 Ų131.672%0.72174%0.738SS**  -154.8-159.253.643.2-19.3000117.5
465D24.8Very low33.4Very low137 Ų137132.7 Ų132.773%0.73373%0.734SS**  trans98.1127146.6-83.5-23.1000126.2
466L26.3Very low31.8Very low136 Ų136134.8 Ų134.871%0.71274%0.736SS**  trans49.6126.3134.9-68.5166.2000126.3
467N23Very low31.5Very low118 Ų118133.5 Ų133.563%0.63173%0.733SS**  trans68118.4131.6-83.1-18.5000125
468Q25.3Very low32.3Very low150 Ų150133.2 Ų133.270%0.70173%0.729SS**  78.3148.8120.7-69.2178.942.900124
469Q23Very low31.9Very low146 Ų146136 Ų13668%0.68274%0.735SS**  trans64.8112.2159.3-71.1-174-68.700119.2
470E25Very low31.5Very low150 Ų150132.3 Ų132.370%0.70173%0.731SS**  80.5119.498.5-71.8177.6-144.200114.1
471T25.7Very low31.2Very low131 Ų131132.5 Ų132.580%0.80474%0.736SS**  165.5164.997370000107.9
472S23.8Very low31Very low92 Ų92132.5 Ų132.564%0.64374%0.736SS**  cis-169.7144.4-20.554.70000110.4
473F26.4Very low31.1Very low196 Ų196130.4 Ų130.486%0.8673%0.73SS**  trans26.2157.4130.3-67.7-63.4000122.4
474P53.3Low30.3Very low101 Ų101131.8 Ų131.866%0.65673%0.729SS**  cis-158.4170.543.645-23.1000122.1
475N30Very low28.6Very low144 Ų144133 Ų13377%0.7774%0.735SS**  trans64.9145.2139.7-77-7.3000121.8
476M26.4Very low29Very low162 Ų162132.5 Ų132.580%0.79874%0.737SS**  cis-144.9143.50.5-57-172.878.800114.1
477V30.4Very low29.8Very low124 Ų124131.3 Ų131.375%0.75274%0.737SS**  10.2147.2123.6-164.80000119.4
478P47.9Very low30.4Very low104 Ų104131.4 Ų131.468%0.67575%0.746SS**  cis-136.9-170.4-30.341.9-24.3000114.2
479L26.8Very low30.9Very low156 Ų156130.3 Ų130.382%0.81775%0.751SS**  164.9134.4128-93.5168.9000116
480S25.9Very low31.2Very low97 Ų97128.8 Ų128.868%0.67876%0.757SS**  trans47.1149149.152.50000122.4
481L28.1Very low32.4Very low154 Ų154127.1 Ų127.181%0.80676%0.759SS**  cis-158.7145.1-7-96.8156.7000105.5
482S26Very low32.9Very low94 Ų94126.9 Ų126.966%0.65776%0.76SS**  36.2134.994.5-560000115.8
483T28.5Very low33.3Very low125 Ų125128 Ų12877%0.76776%0.763SS**  cis-160.9179.8130.30000110.8
484D26Very low33.5Very low139 Ų139127.3 Ų127.374%0.74376%0.762SS**  trans-50.8162.9174.8-50.8-93.8000116.2
485T27.7Very low32.4Very low138 Ų138128.9 Ų128.985%0.84777%0.769SS**  167.1134.4116.7-69.80000112.5
486T33.3Very low32.4Very low125 Ų125128.3 Ų128.377%0.76777%0.771SS**  trans-107.3-179.9166.362.60000109.4
487P43.3Very low32.5Very low111 Ų111125.8 Ų125.872%0.72178%0.776SS**  cis-132-170.2-4.832.8-9.8000114.1
488C36.4Very low32.4Very low121 Ų121124.4 Ų124.482%0.81878%0.777SS**  trans19.7144.8154.4-59.10000122.6
489P35.5Very low32.2Very low126 Ų126125.1 Ų125.182%0.81878%0.782SS**  -142.8-179112.540.3-28.7000116
490S29.4Very low32.4Very low115 Ų115124.9 Ų124.980%0.80479%0.787SS**  trans-135-169.1168.5-55.30000108.8
491P50.1Low32.6Very low115 Ų115127.5 Ų127.575%0.74779%0.793SS**  -110.9-175.5-7940.7-29.6000112.5
492P35.3Very low32.8Very low126 Ų126127.1 Ų127.182%0.81880%0.798SS**  trans-114.1172.2166.437.7-27.5000114.6
493V33.4Very low33Very low116 Ų116132.1 Ų132.170%0.70381%0.808SS**  trans-140.1132-158.5166.60000113.5
494H30.3Very low33.3Very low181 Ų181134.4 Ų134.484%0.83881%0.814SS**  trans66.4155168.6-68.9-156.6000115.6
495V29Very low33.8Very low133 Ų133133.2 Ų133.281%0.80681%0.814SS**  cis-145.2159.942.5165.20000113.5
496T30.9Very low34Very low132 Ų132130.3 Ų130.381%0.8181%0.812SS**  trans-33.1136.9-177.757.20000121.9
497A27.7Very low34Very low109 Ų109132.8 Ų132.890%0.90182%0.818SS**  trans-167.1163.6132.300000111.3
498A29.7Very low33.5Very low95 Ų95138.3 Ų138.379%0.78583%0.825SS**  trans-155.2174.7-178.600000111
499P43.2Very low33.3Very low119 Ų119137.1 Ų137.177%0.77382%0.823SS**  cis-128.6154.2-45.635.7-22.1000112.9
500V31.1Very low33.4Very low151 Ų151142.2 Ų142.292%0.91583%0.827SS**  trans-139.5142.2169.6-1780000111.1
501N29.2Very low33.5Very low152 Ų152147 Ų14781%0.81383%0.833SS**  trans-84142.1178.3-75-65.6000113.2
502T33.3Very low32.5Very low147 Ų147149 Ų14990%0.90284%0.836SS**  trans-147.3151.413832.30000110.4
503K30.6Very low32.3Very low199 Ų199154.9 Ų154.987%0.86584%0.842SS**  trans-118151.7173.3-64.1175.6177.9174.40109.1
504L33.6Very low32.1Very low172 Ų172157.3 Ų157.390%0.90185%0.85SS**  trans-151.4169.2151.6-98168.6000107.7
505P37Very low32.7Very low115 Ų115153.8 Ų153.875%0.74784%0.843SS**  -108.9155.3-125.639.4-34.6000115.6
506G31.6Very low32.7Very low77 Ų77155.2 Ų155.279%0.79485%0.846SS**  trans-97.2134.8169.800000112.5
507I34.3Very low32.6Very low177 Ų177154 Ų15491%0.90884%0.843SS**  trans-82.4136.7174-63170.4000109.3
508R32.5Very low32.8Very low226 Ų226157.6 Ų157.685%0.85384%0.84SS**  trans-140.5110179.9-175.6179.4-176.5-177.24.3112
509A31.7Very low33.6Very low96 Ų96158 Ų15879%0.79384%0.835SS**  trans-71.7160.8168.700000112
510R36.6Very low33Very low234 Ų234159.5 Ų159.588%0.88383%0.832SS**  trans-127.8151.5178.5-62.6178.2178.4179.9-1.2109.7
511K32.3Very low32.9Very low215 Ų215159.2 Ų159.294%0.93582%0.821SS**  trans-117.6140.6162.8-166.8167.7-176.4173.50109
512L29.2Very low32.8Very low156 Ų156159 Ų15982%0.81782%0.818SS**  trans-90.4157.3-169.5-70162.2000113
513R31.3Very low32.5Very low250 Ų250156.4 Ų156.494%0.94381%0.807SS**  trans-138.3141.8155.5-92-176.3168.4157.4-3.1107.8
514L29.4Very low32.5Very low167 Ų167157.3 Ų157.387%0.87481%0.805SS**  trans-111.1156.5173.5-86.4144.9000110.2
515P42.1Very low32.3Very low107 Ų107156.7 Ų156.770%0.69580%0.795SS**  trans-117-154.4-167.643.7-31.3000113.1
516L30.1Very low31.9Very low163 Ų163156.5 Ų156.585%0.85379%0.788SS**  trans94.5141.9179.8-57.4156.1000114
517S28.7Very low31.8Very low107 Ų107161.4 Ų161.475%0.74879%0.794SS**  cis-163.1152.7-15.6430000112.1
518H31.8Very low31.6Very low184 Ų184157.1 Ų157.185%0.85279%0.785SS**  trans-82177.5165.9-100-49.2000111
519P45.6Very low32Very low105 Ų105152.3 Ų152.368%0.68278%0.783SS**  cis-138.2-143.825.436.2-9.8000113.3
520E30.7Very low31.9Very low149 Ų149157 Ų15770%0.69679%0.789SS**  cis-160.7174.7-1.4-141.8-172.2134.300112.9
521Q30.2Very low31.6Very low145 Ų145152 Ų15268%0.67878%0.784SS**  trans75.1129.1148.4-76.8-177.331.300127.1
522L26.6Very low31.5Very low147 Ų147149.7 Ų149.777%0.7778%0.782SS**  trans80.2107.3140.7-96.583.2000125.2
523S27.3Very low31.5Very low94 Ų94147.6 Ų147.666%0.65778%0.78SS**  94.688.2111.2-173.30000123.8
524R30.3Very low31.4Very low217 Ų217140 Ų14082%0.81977%0.771SS**  85.2148.3110.9-154.8-169.4-174.21704.4121.2
525K28.4Very low31.5Very low160 Ų160136.7 Ų136.770%0.69677%0.768SS**  trans87.7144.6164.8-59.6-172.4148.9-102.50117.1
526D28.3Very low31Very low111 Ų111136 Ų13659%0.59477%0.771SS**  cis-162.8177.6-16.3-97.6-22.2000109.5
527L30.1Very low31.1Very low179 Ų179136.3 Ų136.394%0.93777%0.768SS**  trans82.5167.3170.8-76.8109.9000119.5
528A30.4Very low31.3Very low87 Ų87136.1 Ų136.172%0.71976%0.762SS**  trans-136.5162-138.400000114.3
529P40.8Very low31.2Very low125 Ų125135.6 Ų135.681%0.81276%0.76SS**  trans-84.2166.2-177.535.3-37.3000113.8
530Q29.8Very low30.5Very low194 Ų194137.9 Ų137.991%0.90777%0.766SS**  trans-131.5152162.1-68.9-1683.600111.3
531T31.1Very low30.4Very low129 Ų129139.2 Ų139.279%0.79178%0.775SS**  trans-125.5-170.6-173.4-16.90000109.8
532L30.3Very low30.5Very low167 Ų167138.5 Ų138.587%0.87479%0.786SS**  trans85.3146177.1-53.2170.8000114.4
533S27.9Very low30.7Very low112 Ų112140.7 Ų140.778%0.78379%0.789SS**  cis-158.8164.8-17.7-178.80000109.4
534A30.6Very low30.8Very low92 Ų92146.6 Ų146.676%0.7680%0.797SS**  trans-93.1160.5172.500000113.1
535A30.9Very low30.8Very low97 Ų97144.6 Ų144.680%0.80280%0.796SS**  trans179.2143.1138.700000113.8
536A31Very low31.1Very low92 Ų92143.6 Ų143.676%0.7680%0.803SS**  trans62.9154.4142.400000121.9
537E33.2Very low31.2Very low170 Ų170142.8 Ų142.879%0.79481%0.812SS**  cis-164.7162.3-24.1-115.5-172.614600112.7
538T31.4Very low31.3Very low102 Ų102145.1 Ų145.163%0.62681%0.808SS**  trans58.3126149.854.90000125
539Q31.1Very low31.5Very low173 Ų173147.1 Ų147.181%0.80881%0.814SS**  trans66.3160.3139.2-59.9-179.721.300118.3
540L29.6Very low31.1Very low153 Ų153147.4 Ų147.480%0.80181%0.814SS**  cis-147.3172.216-164.571000111.6
541M30.1Very low31.3Very low178 Ų178149.4 Ų149.488%0.87781%0.814SS**  trans-68.8152.7176.1-59.7178.5175.800115.1
542S30.6Very low31.3Very low130 Ų130148.5 Ų148.591%0.90981%0.814SS**  trans-163.3163.7132.148.30000115.1
543K31.4Very low32Very low193 Ų193146.4 Ų146.484%0.83981%0.81SS**  trans-80.7153.9-162.6-66.2157.2175.8165.60115
544R30.2Very low32.4Very low217 Ų217149.9 Ų149.982%0.81981%0.813SS**  trans37.3130.8138.7-63.2178.2176.6176.4-2.4118.8
545H30.1Very low33.1Very low176 Ų176151 Ų15182%0.81581%0.813SS**  -164.1159.891.8-113.9-88.7000113.3
546V34.2Very low33.9Very low138 Ų138151.9 Ų151.984%0.83681%0.81SS**  trans-93.7132.1174.6174.10000109.6
547A30.3Very low34.7Very low94 Ų94153.7 Ų153.778%0.77781%0.814SS**  trans-147.5142.5165.400000110.3
548R32.2Very low34.7Very low229 Ų229155 Ų15586%0.86482%0.818SS**PPolyproline II helixtrans-82142.7173.5-69.6172.3169.2166.7-6.9110.1
549P35Very low34.8Very low129 Ų129161.3 Ų161.384%0.83883%0.83SS**PPolyproline II helixtrans-75.7123157.831.1-30.1000109.7
550T31.9Very low34.9Very low131 Ų131163.5 Ų163.580%0.80483%0.832SS**PPolyproline II helixtrans-92.3136.916844.10000110.3
551Y33.7Very low35.6Very low235 Ų235161.9 Ų161.992%0.92283%0.831SS**PPolyproline II helixtrans-59.5142.7174.8-89.1-107.4000112.7
552S31.9Very low35.7Very low111 Ų111159.4 Ų159.478%0.77683%0.83SS**  trans-146.7154149.369.70000109.2
553P44.5Very low35.7Very low123 Ų123162.5 Ų162.580%0.79983%0.83SS**PPolyproline II helixtrans-95.2163.2-151.636-37.3000116.1
554H36.6Very low35.8Very low184 Ų184156.4 Ų156.485%0.85282%0.822SS**PPolyproline II helixtrans-67.2147.5168.9-71.3-97.1000112.5
555P46Very low36.4Very low116 Ų116152.3 Ų152.375%0.75382%0.823SS**PPolyproline II helixtrans-80.7150.6169.433.8-34.4000112.2
556P47.2Very low36.5Very low115 Ų115150.7 Ų150.775%0.74783%0.825SS**PPolyproline II helixtrans-81.7150.1-179.232.7-35.6000113.5
557P47.2Very low36.5Very low130 Ų130151.5 Ų151.584%0.84482%0.823SS**PPolyproline II helixtrans-72.6153.8171.631.1-34.6000112.2
558K33.4Very low36.5Very low199 Ų199152.6 Ų152.687%0.86583%0.825SS**PPolyproline II helixtrans-93.2137.6-174.8-62.1175.4-178.1175.30111.9
559R33.3Very low36.6Very low233 Ų233152.1 Ų152.188%0.87982%0.823SS**PPolyproline II helixtrans-82.4139.6163.6-66.6179174.1-178.3-2.4110.3
560Y33.5Very low36.5Very low220 Ų220157.3 Ų157.386%0.86383%0.828SS**  trans-159.6161.8154-90-49.8000108.8
561P43.4Very low36.4Very low118 Ų118154.1 Ų154.177%0.76682%0.821SS**  -114.2-178.9-110.241.6-37.6000115.9
562C32.7Very low36.4Very low127 Ų127150.4 Ų150.486%0.85882%0.817SS**  trans-77.2145.3174-48.10000112.3
563E31.9Very low36.4Very low195 Ų195153.2 Ų153.291%0.91182%0.823SS**  trans-121.5155.7159.5-72.9-162.1139.800111
564G32.8Very low36.1Very low65 Ų65156.8 Ų156.867%0.6783%0.826SS**  trans-91.2-179-173.800000115
565P42.5Very low36.3Very low130 Ų130157.1 Ų157.184%0.84483%0.828SS**  trans-82147.4-165.732.3-36.2000114.4
566V32.1Very low36.1Very low143 Ų143159.6 Ų159.687%0.86783%0.834SS**  trans-109.7128.2165.7177.60000109.4
567I35.2Very low35.6Very low155 Ų155162.6 Ų162.680%0.79584%0.843SS**  trans-85.9133.4178.1-62.2165.7000109.5
568S30.1Very low35.1Very low116 Ų116167.1 Ų167.181%0.81185%0.85SS**  trans-141149.9159-1690000110.9
569R34.2Very low35.6Very low219 Ų219161.2 Ų161.283%0.82685%0.845SS**  trans-112.9117-173-65.1174.9177.1171.8-2.8111.4
570Y32.3Very low35.9Very low239 Ų239158 Ų15894%0.93785%0.845SS**  trans-154.5145.9144.4-84.8-79.1000106.5
571G30.4Very low36.2Very low63 Ų63155.2 Ų155.265%0.64984%0.843SS**  cis14780.40.100000110.5
572N34.2Very low35.8Very low157 Ų157159.7 Ų159.784%0.8485%0.851SS**  trans43.8112.9173.6-66.3-7.6000118.4
573N32.1Very low36.3Very low170 Ų170161.2 Ų161.291%0.90985%0.849SS**  -158.1134.5120-94.9-27000110.4
574K36.8Very low36.6Very low199 Ų199159.8 Ų159.887%0.86585%0.845SS**  trans-118.7164.3168.4-80.1-170.7175.2-174.50108.1
575Q40.8Very low36.9Very low190 Ų190164.5 Ų164.589%0.88885%0.854SS**  trans80.5158.1-176.1-52.7-175.7-11.900114.9
576L41.3Very low36.8Very low169 Ų169168.3 Ų168.389%0.88586%0.858SS**  trans63.660.5177.9-62.8171.2000117.4
577L36.7Very low37.2Very low177 Ų177171.3 Ų171.393%0.92788%0.883SS**  trans-155.540.2138.9-140.875.1000114.7
578F38Very low37.3Very low226 Ų226172.2 Ų172.299%0.99189%0.888SS**  trans-102.7122.4163.4-101.4-90.3000108.6
579G42.9Very low37.7Very low74 Ų74175.1 Ų175.176%0.76389%0.892SS**SBendtrans119.254.817600000116.1
580L40.3Very low37.9Very low166 Ų166172.7 Ų172.787%0.86990%0.895SS**SBendtrans-158.929.6159.5-117.3166.2000116.1
581I38.8Very low38.2Very low162 Ų162168.8 Ų168.883%0.83189%0.893SS**SBendtrans-137.390.3156.4-6391.2000107.3
582F36.1Very low38.7Very low211 Ų211175.4 Ų175.493%0.92591%0.908SS**  trans-163.337.4163.8-124.7-72.6000113.4
583I41.9Very low39Very low159 Ų159176.6 Ų176.682%0.81591%0.913SS**  trans-131.8147.6167.9-58.9-179.8000106.6
584I40.1Very low39.5Very low165 Ų165177.1 Ų177.185%0.84691%0.913SS**SBendtrans84.861.2-165.5-46.5164.5000112.6
585L37.4Very low39.7Very low164 Ų164175.4 Ų175.486%0.85992%0.917SS**  trans-164.255151.2-117.6168.6000112
586F40.4Very low39.6Very low211 Ų211174.2 Ų174.293%0.92592%0.919SS**  trans-158.4110.8161.4-106-68.8000110.8
587C41.5Very low39.5Very low206 Ų206174.6 Ų174.6100%1.39292%0.922SS**  trans-147.60161.2-81.80000106.5

Retrieved 587 of 587 residues in 677 ms (Link to these results)