A0A075B6P6_HUMAN Loading...

Potassium voltage-gated channel modifier subfamily G member 1

AlphaFold DB , UniProt , Accession A0A075B6P6, Species HUMAN (Homo sapiens, Human), Gene KCNG1, Length 258 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
1M39.5Very low39.4Very low235 Ų235149.3 Ų149.3100%1.15882%0.823SS**  0115.70-93.6158.5168.600105.7
2T35.4Very low39.3Very low118 Ų118149.1 Ų149.172%0.72482%0.82SS**  cis-165121.335.416.40000106.3
3L35.3Very low39.3Very low162 Ų162154.1 Ų154.185%0.84882%0.821SS**  79.6116.3105.1-66.6179000115
4L42.8Very low39.9Very low164 Ų164150.1 Ų150.186%0.85981%0.811SS**  trans-58.6163.1158.1-66167.6000110.5
5P46.5Very low40.5Very low127 Ų127146 Ų14683%0.82581%0.806SS**  -135.3151.110730.3-15.3000112.6
6G41.5Very low40.5Very low71 Ų71147.4 Ų147.473%0.73281%0.811SS**  trans-90.7165.5172.400000113.1
7D37.3Very low40.5Very low154 Ų154145.4 Ų145.482%0.82481%0.81SS**  trans-165.6113.6146.9-114-20.9000104.7
8N35.1Very low40.3Very low144 Ų144143.6 Ų143.677%0.7781%0.807SS**  80.713877.9-151.223.1000113.7
9S40.5Very low40.5Very low87 Ų87142.5 Ų142.561%0.60881%0.805SS**  trans64.3105.5165.465.30000120.3
10D38.4Very low40.4Very low148 Ų148141.5 Ų141.579%0.79181%0.807SS**  16387.5104-86.5-20.2000110.2
11Y41.2Very low40.5Very low232 Ų232142.6 Ų142.691%0.9181%0.81SS**  trans-92.497163.2-67-74.4000107.8Y13Y11-Y13 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact O-N 3.07Å
12D38.7Very low40.4Very low147 Ų147134.9 Ų134.979%0.78678%0.784SS**  trans-61.9103.3172.4-116.2-34.1000109.8S14D12-S14 PolarHBondContact O-N 2.75Å; D12-S14 PolarHBondContact OD1-OG 2.79Å
13Y38.4Very low40.9Very low214 Ų214133.8 Ų133.884%0.83978%0.781SS**  trans-89.240.2176.8-137.5-87.2000111.8Y11Y11-Y13 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact O-N 3.07Å
14S48.5Very low40.8Very low98 Ų98135.7 Ų135.769%0.68578%0.783SS**  trans-115.148.2-166.6-54.70000112.3D12D12-S14 PolarHBondContact O-N 2.75Å; D12-S14 PolarHBondContact OD1-OG 2.79Å
15A48.7Very low40.4Very low89 Ų89136.4 Ų136.474%0.73678%0.782SS**  trans-161.635.7174.400000116.9
16L40.4Very low40.2Very low169 Ų169134.7 Ų134.789%0.88577%0.771SS**  trans-13063.6167-69.9173.5000111.4
17S40.6Very low39.9Very low113 Ų113135.6 Ų135.679%0.7977%0.771SS**  trans-134.1106.5154.2-178.80000107.1
18C36.1Very low39.9Very low112 Ų112137.4 Ų137.476%0.75777%0.772SS**  trans-171.5102.2146.3-91.90000110
19T44.4Very low40.1Very low124 Ų124137.4 Ų137.476%0.76177%0.771SS**  50.2113.8129.767.30000120.1
20S38.1Very low39.9Very low121 Ų121139 Ų13985%0.84678%0.78SS**  trans-159.477.5144.4-62.30000106.5
21D42.9Very low40.5Very low165 Ų165139.1 Ų139.188%0.88278%0.775SS**  28.690.3100.5-146.72.8000115.1
22A37.8Very low40.9Very low73 Ų73139.3 Ų139.360%0.60378%0.775SS**  trans-154.488157.100000108.9F24A22-F24 PolarHBondContact O-N 2.71Å
23S44.8Very low41Very low96 Ų96141 Ų14167%0.67178%0.778SS**  trans41.676.2143.164.60000118.1
24F34Very low41.4Very low201 Ų201132.8 Ų132.888%0.88275%0.754SS**  trans-119.696.1141.9-68.7-81.8000106.3A22 P26A22-F24 PolarHBondContact O-N 2.71Å; F24-P26 WeakPolarHBondContact O-CD 3.27Å
25H34Very low41.3Very low180 Ų180134.1 Ų134.183%0.83375%0.752SS**  trans-73110.8159.8-79.3-76000106.3A27H25-A27 PolarHBondContact O-N 3.35Å
26P42.1Very low40.9Very low91 Ų91138.6 Ų138.659%0.59176%0.755SS**  trans-63.2125150.33.913.6000104F24 F28F24-P26 WeakPolarHBondContact O-CD 3.27Å; P26-F28 VanDerWaalsContact C-N 3.27Å; P26-F28 PolarHBondContact O-N 3.16Å
27A36.6Very low41.2Very low90 Ų90133.8 Ų133.874%0.74475%0.746SS**  trans-52.6103.3164.700000106.5H25 L29H25-A27 PolarHBondContact O-N 3.35Å; A27-L29 PolarHBondContact O-N 3.45Å
28F36.4Very low41.4Very low191 Ų191131.4 Ų131.484%0.83873%0.733SS**  trans-65.287166.9-93.1-93.9000104.7P26P26-F28 VanDerWaalsContact C-N 3.27Å; P26-F28 PolarHBondContact O-N 3.16Å
29L40.4Very low42.1Very low144 Ų144129.4 Ų129.475%0.75471%0.712SS**  trans-48126.9157.8-72.1172.5000105.2A27 Q31A27-L29 PolarHBondContact O-N 3.45Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 2.58Å
30P36.6Very low42.2Very low122 Ų122132.7 Ų132.779%0.79271%0.712SS**  trans-56106179.2-20.229.5000107R32P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 PolarHBondContact O-N 2.86Å
31Q50.1Low42.9Very low149 Ų149138.3 Ų138.370%0.69671%0.714SS**  trans-61.7104.1170.9-174.2158.715.100103.8L29 Q33L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-Q31 PolarHBondContact O-N 2.58Å; Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.63Å
32R48.8Very low43.7Very low237 Ų237134.3 Ų134.389%0.89469%0.687SS**  trans-48.8104.1175.5-108.6-178.2171.4-176.4-1.8105.1P30 A34P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 PolarHBondContact O-N 2.86Å; R32-A34 VanDerWaalsContact C-N 3.32Å; R32-A34 PolarHBondContact O-N 3.04Å
33Q41.3Very low45Very low182 Ų182131.6 Ų131.685%0.8566%0.664SS**  trans-63.5105.4-179.9-79.6-177.9-8.200104.6Q31 I35Q31-Q33 VanDerWaalsContact C-N 3.29Å; Q31-Q33 PolarHBondContact O-N 2.63Å; Q33-I35 PolarHBondContact O-N 2.99Å
34A47.8Very low46.5Very low42 Ų42132.8 Ų132.835%0.34766%0.659SS.*  trans-54.3113.7172.600000106.1R32 K36 K135R32-A34 VanDerWaalsContact C-N 3.32Å; R32-A34 PolarHBondContact O-N 3.04Å; A34-K36 PolarHBondContact O-N 2.59Å; A34-K135 HydrophobicContact CB-CG 4.5Å
35I46.4Very low48.8Very low126 Ų126130.4 Ų130.465%0.64664%0.644SS**  trans-63.394.5176.3-59.8174.8000105.6Q33 G37Q33-I35 PolarHBondContact O-N 2.99Å; I35-G37 PolarHBondContact O-N 2.86Å; I35-G37 VanDerWaalsContact O-N 3.08Å
36K38.5Very low51Low183 Ų183123.1 Ų123.180%0.79661%0.611SS**THydrogen-bonded Turntrans-62.3112.6177.6-76.2-178.4177.4177.40107A34A34-K36 PolarHBondContact O-N 2.59Å
37G47.6Very low52.8Low67 Ų67127 Ų12769%0.69161%0.614SS**THydrogen-bonded Turntrans129.6-21.9166.100000116.7I35I35-G37 PolarHBondContact O-N 2.86Å; I35-G37 VanDerWaalsContact O-N 3.08Å
38A45.5Very low54.3Low63 Ų63128.5 Ų128.552%0.52162%0.617SS.*THydrogen-bonded Turntrans-84.6-30.4-177.900000114
39F49.8Very low55.5Low70 Ų70127.6 Ų127.631%0.30762%0.615SS.*SBendtrans-97.3-7.6-169.7-59.2-89.4000114.3R41 E83 R132F39-R41 PolarHBondContact O-N 3.23Å; F39-E83 WeakPolarHBondContact CD1-OE2 3.27Å; F39-E83 WeakPolarHBondContact CE1-OE1 3.43Å; F39-E83 WeakPolarHBondContact CE1-OE2 3.48Å; F39-R132 CarbonylContact C-O 3.34Å; F39-R132 WeakPolarHBondContact CB-O 3.5Å
40Y46.2Very low56.7Low193 Ų193124.9 Ų124.976%0.75760%0.601SS**THydrogen-bonded Turntrans-75.211.8-167.5-138.3-96.8000116
41R53.4Low58Low239 Ų239121.7 Ų121.790%0.90258%0.576SS**THydrogen-bonded Turntrans-127.611-172.8-113.5-173.3-155.9179.77.3116.4F39F39-R41 PolarHBondContact O-N 3.23Å
42R60.3Low58.4Low81 Ų81117.4 Ų117.431%0.30656%0.561SS.*SBendtrans-113.619.9-169.1-57.5-170-169.1151.21.7115.2P77 T80 E83R42-P77 VanDerWaalsContact C-CD 3.47Å; R42-P77 HydrophobicContact CB-CG 4.06Å; R42-P77 WeakPolarHBondContact O-CD 3.44Å; R42-T80 VanDerWaalsContact CB-OG1 3.26Å; R42-T80 WeakPolarHBondContact CB-OG1 3.46Å; R42-T80 PolarHBondContact O-OG1 2.68Å; R42-E83 IonicContact CZ-OE1 3.53Å; R42-E83 IonicContact NH1-OE1 3.36Å; R42-E83 PolarHBondContact NH1-OE1 3.08Å
43A64.6Low58.7Low16 Ų16117.2 Ų117.213%0.13256%0.56CS.*  trans-163.2140.6165.700000110S75 L76 L128 R132A43-S75 CarbonylContact C-O 3.57Å; A43-S75 VanDerWaalsContact CA-O 3.24Å; A43-S75 WeakPolarHBondContact CA-O 3.39Å; A43-L76 HydrophobicContact CB-CB 4.33Å; A43-L76 HydrophobicContact CB-CD2 3.1Å; A43-L76 HydrophobicContact CB-CG 4.26Å; A43-L128 HydrophobicContact CB-CD1 3.94Å; A43-R132 HydrophobicContact CB-CG 3.97Å; A43-R132 PolarHBondContact O-NE 3.37Å; A43-R132 VanDerWaalsContact O-NE 3.12Å; A43-R132 PolarHBondContact O-NH2 2.91Å
44Q75.4Confident59.2Low121 Ų121117.6 Ų117.657%0.56556%0.562SS**EExtended strand (participates in β ladder)trans-135.2133.7-177-171.4171.3200108.8L46 Y74 S75Q44-L46 PolarHBondContact O-N 2.94Å; Q44-Y74 CarbonylContact O-C 3.57Å; Q44-Y74 WeakPolarHBondContact O-CA 3.34Å; Q44-S75 PolarHBondContact N-O 3.23Å; Q44-S75 PolarHBondContact O-N 3.37Å
45R83.3Confident59.6Low151 Ų151118.3 Ų118.357%0.5757%0.573SS**EExtended strand (participates in β ladder)trans-66.3124.1167.6179.8178.9171.3-172.40.8107.2R47 I72 Y74R45-R47 PolarHBondContact O-N 3.22Å; R45-I72 HydrophobicContact CG-CG2 3.93Å; R45-Y74 HydrophobicContact CB-CD1 3.93Å; R45-Y74 HydrophobicContact CB-CE1 4.02Å; R45-Y74 HydrophobicContact CG-CD1 4.28Å; R45-Y74 HydrophobicContact CG-CE1 4.12Å
46L80.8Confident60.1Low27 Ų27113.7 Ų113.714%0.14155%0.552CS.*PPolyproline II helixtrans-72.9128175.1-68.9173.6000108Q44 I66 K73Q44-L46 PolarHBondContact O-N 2.94Å; L46-I66 HydrophobicContact CD1-CD1 4.32Å; L46-I66 HydrophobicContact CD1-CG1 4.31Å; L46-I66 HydrophobicContact CD1-CG2 4.23Å; L46-K73 HydrophobicContact CB-CB 4.16Å; L46-K73 HydrophobicContact CD1-CB 4.2Å; L46-K73 PolarHBondContact N-O 3.46Å
47R78.3Confident61.4Low173 Ų173111.2 Ų111.265%0.65354%0.543SS*.PPolyproline II helixtrans-82.7151.5168.1-63.6179.5171.8170.2-2107.5R45 Q49 D50 E51R45-R47 PolarHBondContact O-N 3.22Å; R47-Q49 PolarHBondContact O-N 3.16Å; R47-D50 WeakPolarHBondContact CB-OD2 3.33Å; R47-D50 WeakPolarHBondContact O-CA 3.28Å; R47-D50 PolarHBondContact O-N 3.1Å; R47-E51 PolarHBondContact O-N 3.33Å
48P68.9Low62.2Low122 Ų122111.9 Ų111.979%0.79254%0.535SS*.THydrogen-bonded Turntrans-53.7-24.8176.5-27.835.1000114.5
49Q61.1Low63.4Low172 Ų172113.5 Ų113.580%0.80453%0.532SS*.THydrogen-bonded Turntrans-80-23176.9-62.5179.41.500113.5R47R47-Q49 PolarHBondContact O-N 3.16Å
50D66.8Low64.5Low87 Ų87113.5 Ų113.547%0.46554%0.535SS..THydrogen-bonded Turntrans-971.2179.3-56.6-41.7000111.7R47R47-D50 WeakPolarHBondContact CB-OD2 3.33Å; R47-D50 WeakPolarHBondContact O-CA 3.28Å; R47-D50 PolarHBondContact O-N 3.1Å
51E63Low65.9Low54 Ų54108.1 Ų108.125%0.25251%0.514SS..SBendtrans-60.4126.6173.2-71.3-84.2108.300109R47 R53 K73R47-E51 PolarHBondContact O-N 3.33Å; E51-R53 PolarHBondContact O-N 3.47Å; E51-K73 VanDerWaalsContact CD-CD 3.47Å; E51-K73 WeakPolarHBondContact OE1-CD 3.49Å; E51-K73 VanDerWaalsContact OE2-CD 3.26Å; E51-K73 WeakPolarHBondContact OE2-CD 3.28Å; E51-K73 WeakPolarHBondContact OE2-CE 3.37Å; E51-K73 IonicContact OE2-NZ 2.91Å; E51-K73 PolarHBondContact OE2-NZ 3.18Å
52P59.2Low67.1Low59 Ų59105.4 Ų105.438%0.38350%0.503SS..  trans-60.5111.817819.8-26.8000109.6Q54P52-Q54 PolarHBondContact O-N 3.45Å; P52-Q54 VanDerWaalsContact O-N 3.08Å
53R54Low68.3Low234 Ų234109.6 Ų109.688%0.88352%0.519SS*.SBendtrans-68.2-6.6-170.1-90.9-176.3162.3147.8-2.8115.8E51E51-R53 PolarHBondContact O-N 3.47Å
54Q52.4Low69.5Low190 Ų190114.1 Ų114.189%0.88853%0.533SS*.SBendtrans-179.7119.1169.6-104.8151.322.600107.7P52P52-Q54 PolarHBondContact O-N 3.45Å; P52-Q54 VanDerWaalsContact O-N 3.08Å
55G55.2Low70.2Confident57 Ų57108.4 Ų108.459%0.58851%0.506SS*.  trans64.110716900000114.9Q57G55-Q57 PolarHBondContact O-N 2.93Å
56C57.5Low70.7Confident29 Ų29101.8 Ų101.820%0.19648%0.482CS..  trans-63.4124.5165.5-164.10000108.3D60 R61C56-D60 WeakPolarHBondContact SG-CB 3.2Å; C56-R61 HydrophobicContact CB-CG 3.83Å
57Q66.1Low71.4Confident130 Ų130100.5 Ų100.561%0.60748%0.475SS*.  trans-51.9139.7176.6-73.8-79.6-4.900109.1G55 E59 D60 R61G55-Q57 PolarHBondContact O-N 2.93Å; Q57-E59 PolarHBondContact O-N 3.21Å; Q57-D60 HydrophobicContact CB-CB 4.43Å; Q57-D60 WeakPolarHBondContact O-CA 3.38Å; Q57-D60 WeakPolarHBondContact O-CB 3.43Å; Q57-D60 PolarHBondContact O-N 3.26Å; Q57-R61 PolarHBondContact O-N 2.97Å
58P65.4Low72.3Confident81 Ų8192.9 Ų92.953%0.52645%0.447SS..Hα-helixtrans-53.7-33.3-177.2-26.633.5000113.7R61 R62P58-R61 PolarHBondContact O-N 3.2Å; P58-R62 PolarHBondContact O-N 3.44Å
59E69.6Low73.7Confident97 Ų9787 Ų8745%0.45341%0.41SS..Hα-helixtrans-69.6-32.4176.7-64.2-57.3142.900113.2Q57 R62 R63Q57-E59 PolarHBondContact O-N 3.21Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 IonicContact OE1-NH1 3.69Å; E59-R62 PolarHBondContact OE1-NH1 3.41Å; E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.26Å
60D73.6Confident75.3Confident71 Ų7180.6 Ų80.638%0.3839%0.389SS..Hα-helixtrans-72.4-36.2175.5-72.1-32.6000110.9C56 Q57 R62 R63 R64C56-D60 WeakPolarHBondContact SG-CB 3.2Å; Q57-D60 HydrophobicContact CB-CB 4.43Å; Q57-D60 WeakPolarHBondContact O-CA 3.38Å; Q57-D60 WeakPolarHBondContact O-CB 3.43Å; Q57-D60 PolarHBondContact O-N 3.26Å; D60-R62 VanDerWaalsContact C-N 3.28Å; D60-R62 PolarHBondContact O-N 2.79Å; D60-R63 PolarHBondContact O-N 2.92Å; D60-R63 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-N 3.1Å
61R75.3Confident76.6Confident79 Ų7979 Ų7930%0.29839%0.393SS..Hα-helixtrans-63-32.8174.7-63.6175.356.3170.74.3113.1C56 Q57 P58 R63 R64 W78 V110 N113C56-R61 HydrophobicContact CB-CG 3.83Å; Q57-R61 PolarHBondContact O-N 2.97Å; P58-R61 PolarHBondContact O-N 3.2Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R61-R64 VanDerWaalsContact O-O 3.09Å; R61-W78 PolarHBondContact O-NE1 3.38Å; R61-V110 PolarHBondContact NH1-O 3.11Å; R61-V110 PolarHBondContact NH2-O 2.89Å; R61-N113 HydrophobicContact CB-CB 4.33Å; R61-N113 HydrophobicContact CG-CB 4.03Å; R61-N113 PolarHBondContact O-ND2 2.94Å
62R79.3Confident78.1Confident182 Ų18278.3 Ų78.369%0.68739%0.391SS*.Hα-helixtrans-73-24.1175.7-73.5176.7171.6175.1-4.8113P58 E59 D60 W78P58-R62 PolarHBondContact O-N 3.44Å; E59-R62 PolarHBondContact O-N 3.07Å; E59-R62 IonicContact OE1-NH1 3.69Å; E59-R62 PolarHBondContact OE1-NH1 3.41Å; D60-R62 VanDerWaalsContact C-N 3.28Å; D60-R62 PolarHBondContact O-N 2.79Å; R62-W78 VanDerWaalsContact O-CD1 3.25Å
63R85.1Confident79.7Confident169 Ų16977.7 Ų77.764%0.63838%0.382SS*.Hα-helixtrans-100.6-31-176.7-67.1175.7-176.8-175.31.6112.5E59 D60 R61 P77 W78E59-R63 WeakPolarHBondContact O-CG 3.35Å; E59-R63 PolarHBondContact O-N 3.26Å; D60-R63 PolarHBondContact O-N 2.92Å; D60-R63 VanDerWaalsContact O-N 3.1Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R63-P77 VanDerWaalsContact O-CA 3.24Å; R63-P77 WeakPolarHBondContact O-CA 3.43Å; R63-W78 PolarHBondContact O-N 3.38Å
64R88.8Confident81.5Confident112 Ų11267.2 Ų67.242%0.42334%0.343SS..EExtended strand (participates in β ladder)trans-135.3155.3-170.9-64.5175.6176.4-107.71.5112.4D60 R61 S75 L76 N113D60-R64 PolarHBondContact O-N 3.1Å; R61-R64 VanDerWaalsContact O-O 3.09Å; R64-S75 PolarHBondContact NH1-OG 2.96Å; R64-L76 CarbonylContact C-O 3.5Å; R64-L76 WeakPolarHBondContact CA-O 3.48Å; R64-N113 PolarHBondContact O-ND2 3.5Å
65I90.8Very high83.3Confident1 Ų158.8 Ų58.81%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-124.1154.6173.159.3-173.5000110.1I67 S75 L76 W78 L81 F115I65-I67 HydrophobicContact CD1-CD1 3.83Å; I65-I67 HydrophobicContact CD1-CG1 4.12Å; I65-I67 HydrophobicContact CG1-CD1 4.24Å; I65-I67 HydrophobicContact CG1-CG1 4.27Å; I65-S75 WeakPolarHBondContact O-CA 3.44Å; I65-L76 HydrophobicContact CD1-CB 4.36Å; I65-L76 HydrophobicContact CD1-CD1 4.26Å; I65-L76 HydrophobicContact CG1-CB 3.9Å; I65-L76 HydrophobicContact CG1-CD1 4.41Å; I65-L76 HydrophobicContact CG1-CG 4.26Å; I65-L76 WeakPolarHBondContact CG1-O 3.33Å; I65-L76 PolarHBondContact N-O 3.46Å; I65-L76 PolarHBondContact O-N 3.03Å; I65-W78 HydrophobicContact CD1-CE3 4.17Å; I65-W78 HydrophobicContact CD1-CZ3 4.27Å; I65-W78 HydrophobicContact CG2-CD2 3.35Å; I65-W78 HydrophobicContact CG2-CE3 3.66Å; I65-W78 HydrophobicContact CG2-CG 4.08Å; I65-W78 HydrophobicContact CG2-CH2 3.45Å; I65-W78 VanDerWaalsContact CG2-CH2 3.45Å; I65-W78 HydrophobicContact CG2-CZ2 3.07Å; I65-W78 HydrophobicContact CG2-CZ3 3.72Å; I65-L81 HydrophobicContact CD1-CD1 3.3Å; I65-L81 HydrophobicContact CD1-CG 4.04Å; I65-F115 HydrophobicContact CB-CE2 4.43Å; I65-F115 HydrophobicContact CG2-CE2 4.24Å
66I93.9Very high84.9Confident12 Ų1256.1 Ų56.16%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-106.7121.2168.4-56.9177.3000107.2L46 K73 Y74 C112 N113 E114 F115L46-I66 HydrophobicContact CD1-CD1 4.32Å; L46-I66 HydrophobicContact CD1-CG1 4.31Å; L46-I66 HydrophobicContact CD1-CG2 4.23Å; I66-K73 HydrophobicContact CG2-CB 4.15Å; I66-K73 HydrophobicContact CG2-CG 4.32Å; I66-Y74 WeakPolarHBondContact CA-O 3.4Å; I66-C112 HydrophobicContact CD1-CB 4.45Å; I66-N113 PolarHBondContact N-O 3.49Å; I66-E114 HydrophobicContact CB-CB 3.96Å; I66-E114 HydrophobicContact CB-CG 4.22Å; I66-E114 HydrophobicContact CG2-CB 4.07Å; I66-E114 HydrophobicContact CG2-CG 3.81Å; I66-E114 WeakPolarHBondContact O-CA 3.49Å; I66-F115 PolarHBondContact O-N 2.75Å
67I95.5Very high86.4Confident0 Ų055.7 Ų55.70%027%0.274CS..EExtended strand (participates in β ladder)trans-104.8118.9170.6-57.4-55.9000106.8I65 V69 K73 Y74 L76 L89 L92 F115 F117 F124I65-I67 HydrophobicContact CD1-CD1 3.83Å; I65-I67 HydrophobicContact CD1-CG1 4.12Å; I65-I67 HydrophobicContact CG1-CD1 4.24Å; I65-I67 HydrophobicContact CG1-CG1 4.27Å; I67-V69 HydrophobicContact CG2-CG2 3.76Å; I67-K73 CarbonylContact O-C 3.54Å; I67-K73 WeakPolarHBondContact O-CA 3.45Å; I67-Y74 PolarHBondContact N-O 2.87Å; I67-Y74 WeakPolarHBondContact O-CD2 3.47Å; I67-Y74 PolarHBondContact O-N 3.09Å; I67-L76 HydrophobicContact CB-CD1 4.39Å; I67-L76 HydrophobicContact CG1-CD1 3.51Å; I67-L76 HydrophobicContact CG1-CG 4.1Å; I67-L89 HydrophobicContact CD1-CD2 3.87Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I67-L89 HydrophobicContact CG2-CD2 4.17Å; I67-L92 HydrophobicContact CD1-CD1 3.85Å; I67-F115 HydrophobicContact CD1-CB 4.12Å; I67-F115 HydrophobicContact CD1-CD2 4.23Å; I67-F115 HydrophobicContact CD1-CG 4.49Å; I67-F117 HydrophobicContact CD1-CE2 4.16Å; I67-F117 HydrophobicContact CG2-CD2 3.87Å; I67-F117 HydrophobicContact CG2-CE2 3.83Å; I67-F124 HydrophobicContact CG2-CE1 4.19Å; I67-F124 HydrophobicContact CG2-CE2 4.45Å; I67-F124 HydrophobicContact CG2-CZ 3.75Å
68N96.7Very high87.5Confident12 Ų1251.5 Ų51.56%0.06425%0.252CS..EExtended strand (participates in β ladder)trans-107116.7175.9-175-10.1000109.1G71 I72 K73 E114 F115 F116 F117N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 2.91Å; N68-G71 VanDerWaalsContact OD1-N 3.08Å; N68-I72 WeakPolarHBondContact CA-O 3.48Å; N68-I72 PolarHBondContact OD1-N 2.9Å; N68-K73 HydrophobicContact CB-CG 3.94Å; N68-E114 HydrophobicContact CB-CG 4.02Å; N68-E114 VanDerWaalsContact CB-OE1 3.28Å; N68-E114 WeakPolarHBondContact CB-OE1 3.45Å; N68-E114 PolarHBondContact ND2-OE1 2.94Å; N68-F115 PolarHBondContact N-O 2.61Å; N68-F116 HydrophobicContact CB-CD2 4Å; N68-F116 CarbonylContact O-C 3.53Å; N68-F116 WeakPolarHBondContact O-CA 3.37Å; N68-F117 PolarHBondContact O-N 3.46Å
69V97.7Very high88.6Confident0 Ų051.2 Ų51.20%025%0.249CC..EExtended strand (participates in β ladder)trans-119.4116.5179.4-172.40000109.3I67 G71 I72 Y74 F117 R119 F124 W154I67-V69 HydrophobicContact CG2-CG2 3.76Å; V69-G71 PolarHBondContact O-N 3.07Å; V69-G71 VanDerWaalsContact O-N 3.12Å; V69-I72 PolarHBondContact N-O 3.38Å; V69-I72 PolarHBondContact O-N 2.88Å; V69-Y74 HydrophobicContact CB-CE2 4.45Å; V69-F117 WeakPolarHBondContact CA-O 3.41Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.25Å; V69-F117 HydrophobicContact CG2-CD2 4.41Å; V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-R119 WeakPolarHBondContact CG1-O 3.34Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 4.05Å; V69-F124 HydrophobicContact CB-CG 4.08Å; V69-F124 HydrophobicContact CG1-CB 3.88Å; V69-F124 HydrophobicContact CG1-CG 4.14Å; V69-F124 HydrophobicContact CG2-CB 4.28Å; V69-F124 HydrophobicContact CG2-CD1 3.53Å; V69-F124 HydrophobicContact CG2-CD2 3.89Å; V69-F124 HydrophobicContact CG2-CE1 3.72Å; V69-F124 HydrophobicContact CG2-CE2 4.06Å; V69-F124 HydrophobicContact CG2-CG 3.61Å; V69-F124 HydrophobicContact CG2-CZ 3.97Å; V69-W154 HydrophobicContact CG1-CZ2 4.09Å; V69-W154 HydrophobicContact CG2-CH2 3.9Å; V69-W154 HydrophobicContact CG2-CZ2 4.18Å
70G95.8Very high89.4Confident37 Ų3746.7 Ų46.738%0.38123%0.228SC..THydrogen-bonded Turntrans53.932.6-179.100000113.3F117G70-F117 PolarHBondContact N-O 3.43Å
71G93.3Very high90.1Very high52 Ų5243.4 Ų43.454%0.53621%0.21SC..THydrogen-bonded Turntrans87.7-4.5-177.300000115.5N68 V69N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 2.91Å; N68-G71 VanDerWaalsContact OD1-N 3.08Å; V69-G71 PolarHBondContact O-N 3.07Å; V69-G71 VanDerWaalsContact O-N 3.12Å
72I94.4Very high90.6Very high41 Ų4143.8 Ų43.821%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-94.7121.1174.1-52.8-167.3000110.4R45 N68 V69 Y74 P121R45-I72 HydrophobicContact CG-CG2 3.93Å; N68-I72 WeakPolarHBondContact CA-O 3.48Å; N68-I72 PolarHBondContact OD1-N 2.9Å; V69-I72 PolarHBondContact N-O 3.38Å; V69-I72 PolarHBondContact O-N 2.88Å; I72-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CG2-CD2 4.42Å; I72-Y74 HydrophobicContact CG2-CE1 4.13Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 VanDerWaalsContact CG2-CZ 3.49Å; I72-Y74 WeakPolarHBondContact CG2-OH 3.36Å; I72-Y74 VanDerWaalsContact O-CD2 3.23Å; I72-Y74 WeakPolarHBondContact O-CD2 3.26Å; I72-Y74 WeakPolarHBondContact O-CE2 3.36Å; I72-P121 HydrophobicContact CB-CB 4.31Å; I72-P121 HydrophobicContact CD1-CB 3.59Å; I72-P121 HydrophobicContact CD1-CG 4.2Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.45Å
73K93.8Very high90.8Very high46 Ų4638.9 Ų38.920%0.220%0.203CC..EExtended strand (participates in β ladder)trans-92.9140-178.1-64.4173.2178.2-152.70113.1L46 E51 I66 I67 N68 E114L46-K73 HydrophobicContact CB-CB 4.16Å; L46-K73 HydrophobicContact CD1-CB 4.2Å; L46-K73 PolarHBondContact N-O 3.46Å; E51-K73 VanDerWaalsContact CD-CD 3.47Å; E51-K73 WeakPolarHBondContact OE1-CD 3.49Å; E51-K73 VanDerWaalsContact OE2-CD 3.26Å; E51-K73 WeakPolarHBondContact OE2-CD 3.28Å; E51-K73 WeakPolarHBondContact OE2-CE 3.37Å; E51-K73 IonicContact OE2-NZ 2.91Å; E51-K73 PolarHBondContact OE2-NZ 3.18Å; I66-K73 HydrophobicContact CG2-CB 4.15Å; I66-K73 HydrophobicContact CG2-CG 4.32Å; I67-K73 CarbonylContact O-C 3.54Å; I67-K73 WeakPolarHBondContact O-CA 3.45Å; N68-K73 HydrophobicContact CB-CG 3.94Å; K73-E114 WeakPolarHBondContact CE-OE1 3.41Å; K73-E114 VanDerWaalsContact CE-OE2 3.26Å; K73-E114 WeakPolarHBondContact CE-OE2 3.35Å; K73-E114 IonicContact NZ-OE1 2.79Å; K73-E114 IonicContact NZ-OE2 2.79Å; K73-E114 PolarHBondContact NZ-OE2 2.77Å
74Y92.1Very high90.9Very high14 Ų1432.8 Ų32.86%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-133.3124.7-179.9-55.5-90.4000110.2Q44 R45 I66 I67 V69 I72 F124 L128Q44-Y74 CarbonylContact O-C 3.57Å; Q44-Y74 WeakPolarHBondContact O-CA 3.34Å; R45-Y74 HydrophobicContact CB-CD1 3.93Å; R45-Y74 HydrophobicContact CB-CE1 4.02Å; R45-Y74 HydrophobicContact CG-CD1 4.28Å; R45-Y74 HydrophobicContact CG-CE1 4.12Å; I66-Y74 WeakPolarHBondContact CA-O 3.4Å; I67-Y74 PolarHBondContact N-O 2.87Å; I67-Y74 WeakPolarHBondContact O-CD2 3.47Å; I67-Y74 PolarHBondContact O-N 3.09Å; V69-Y74 HydrophobicContact CB-CE2 4.45Å; I72-Y74 HydrophobicContact CB-CE2 3.9Å; I72-Y74 HydrophobicContact CG2-CD2 4.42Å; I72-Y74 HydrophobicContact CG2-CE1 4.13Å; I72-Y74 HydrophobicContact CG2-CE2 3.64Å; I72-Y74 VanDerWaalsContact CG2-CZ 3.49Å; I72-Y74 WeakPolarHBondContact CG2-OH 3.36Å; I72-Y74 VanDerWaalsContact O-CD2 3.23Å; I72-Y74 WeakPolarHBondContact O-CD2 3.26Å; I72-Y74 WeakPolarHBondContact O-CE2 3.36Å; Y74-F124 AromaticContact CD2-CD1 3.84Å; Y74-F124 HydrophobicContact CD2-CD1 3.84Å; Y74-F124 AromaticContact CD2-CE1 3.49Å; Y74-F124 HydrophobicContact CD2-CE1 3.49Å; Y74-F124 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F124 AromaticContact CE2-CD1 3.43Å; Y74-F124 HydrophobicContact CE2-CD1 3.43Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.43Å; Y74-F124 AromaticContact CE2-CE1 3.62Å; Y74-F124 HydrophobicContact CE2-CE1 3.62Å; Y74-F124 AromaticContact CG-CE1 3.98Å; Y74-F124 HydrophobicContact CG-CE1 3.98Å; Y74-F124 AromaticContact CZ-CD1 3.79Å; Y74-L128 HydrophobicContact CD1-CD2 3.16Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.78Å
75S90.6Very high90.9Very high13 Ų1331.4 Ų31.49%0.09119%0.187CC..EExtended strand (participates in β ladder)trans-90.3121.2172.4179.90000110.1A43 Q44 R64 I65A43-S75 CarbonylContact C-O 3.57Å; A43-S75 VanDerWaalsContact CA-O 3.24Å; A43-S75 WeakPolarHBondContact CA-O 3.39Å; Q44-S75 PolarHBondContact N-O 3.23Å; Q44-S75 PolarHBondContact O-N 3.37Å; R64-S75 PolarHBondContact NH1-OG 2.96Å; I65-S75 WeakPolarHBondContact O-CA 3.44Å
76L88.1Confident90.9Very high0 Ų038.6 Ų38.60%023%0.225CC..EExtended strand (participates in β ladder)trans-124140178.7-32.4177.8000109.1A43 R64 I65 I67 L89 L128A43-L76 HydrophobicContact CB-CB 4.33Å; A43-L76 HydrophobicContact CB-CD2 3.1Å; A43-L76 HydrophobicContact CB-CG 4.26Å; R64-L76 CarbonylContact C-O 3.5Å; R64-L76 WeakPolarHBondContact CA-O 3.48Å; I65-L76 HydrophobicContact CD1-CB 4.36Å; I65-L76 HydrophobicContact CD1-CD1 4.26Å; I65-L76 HydrophobicContact CG1-CB 3.9Å; I65-L76 HydrophobicContact CG1-CD1 4.41Å; I65-L76 HydrophobicContact CG1-CG 4.26Å; I65-L76 WeakPolarHBondContact CG1-O 3.33Å; I65-L76 PolarHBondContact N-O 3.46Å; I65-L76 PolarHBondContact O-N 3.03Å; I67-L76 HydrophobicContact CB-CD1 4.39Å; I67-L76 HydrophobicContact CG1-CD1 3.51Å; I67-L76 HydrophobicContact CG1-CG 4.1Å; L76-L89 HydrophobicContact CD1-CD1 4.47Å; L76-L128 HydrophobicContact CD2-CD1 3.62Å
77P89.3Confident90.9Very high20 Ų2038.5 Ų38.513%0.1323%0.225CC..EExtended strand (participates in β ladder)trans-65.4143.9160.4-18.934.1000110.5R42 R63 T79 T80R42-P77 VanDerWaalsContact C-CD 3.47Å; R42-P77 HydrophobicContact CB-CG 4.06Å; R42-P77 WeakPolarHBondContact O-CD 3.44Å; R63-P77 VanDerWaalsContact O-CA 3.24Å; R63-P77 WeakPolarHBondContact O-CA 3.43Å; P77-T79 PolarHBondContact O-N 2.93Å; P77-T79 VanDerWaalsContact O-N 3.14Å; P77-T80 WeakPolarHBondContact O-CB 3.43Å; P77-T80 PolarHBondContact O-N 2.96Å; P77-T80 PolarHBondContact O-OG1 2.91Å
78W89.1Confident90.9Very high43 Ų4341.4 Ų41.416%0.16324%0.236CC..THydrogen-bonded Turntrans-54.3-32.4173.8-84.5117.2000113.1R61 R62 R63 I65 T80 L81 L92 K93 F115R61-W78 PolarHBondContact O-NE1 3.38Å; R62-W78 VanDerWaalsContact O-CD1 3.25Å; R63-W78 PolarHBondContact O-N 3.38Å; I65-W78 HydrophobicContact CD1-CE3 4.17Å; I65-W78 HydrophobicContact CD1-CZ3 4.27Å; I65-W78 HydrophobicContact CG2-CD2 3.35Å; I65-W78 HydrophobicContact CG2-CE3 3.66Å; I65-W78 HydrophobicContact CG2-CG 4.08Å; I65-W78 HydrophobicContact CG2-CH2 3.45Å; I65-W78 VanDerWaalsContact CG2-CH2 3.45Å; I65-W78 HydrophobicContact CG2-CZ2 3.07Å; I65-W78 HydrophobicContact CG2-CZ3 3.72Å; W78-T80 PolarHBondContact O-N 3.45Å; W78-L81 HydrophobicContact CE3-CD1 3.96Å; W78-L81 HydrophobicContact CZ3-CD1 4.01Å; W78-L81 PolarHBondContact O-N 3.45Å; W78-L81 VanDerWaalsContact O-N 3.09Å; W78-L92 HydrophobicContact CZ3-CB 4.27Å; W78-K93 HydrophobicContact CD2-CD 4.29Å; W78-K93 HydrophobicContact CE3-CD 3.55Å; W78-K93 HydrophobicContact CE3-CG 4.01Å; W78-K93 HydrophobicContact CZ3-CD 3.95Å; W78-K93 HydrophobicContact CZ3-CG 4.15Å; W78-K93 WeakPolarHBondContact O-CE 3.34Å; W78-F115 HydrophobicContact CH2-CE2 4.3Å; W78-F115 HydrophobicContact CH2-CZ 4.25Å
79T87.8Confident90.8Very high74 Ų7441 Ų4145%0.45423%0.233SC..Hα-helixtrans-62.5-22177.958.40000114P77 L81 D82P77-T79 PolarHBondContact O-N 2.93Å; P77-T79 VanDerWaalsContact O-N 3.14Å; T79-L81 VanDerWaalsContact C-N 3.27Å; T79-D82 WeakPolarHBondContact CA-OD2 3.37Å
80T86.6Confident90.6Very high3 Ų341.1 Ų41.12%0.01824%0.235CC..Hα-helixtrans-67.2-33.5175.7-56.50000111.1R42 P77 W78 L131R42-T80 VanDerWaalsContact CB-OG1 3.26Å; R42-T80 WeakPolarHBondContact CB-OG1 3.46Å; R42-T80 PolarHBondContact O-OG1 2.68Å; P77-T80 WeakPolarHBondContact O-CB 3.43Å; P77-T80 PolarHBondContact O-N 2.96Å; P77-T80 PolarHBondContact O-OG1 2.91Å; W78-T80 PolarHBondContact O-N 3.45Å; T80-L131 HydrophobicContact CG2-CB 4.43Å
81L87.8Confident90.5Very high1 Ų143.6 Ų43.61%0.00524%0.237CC..Hα-helixtrans-78.7-26-178.6-57.9-172.5000112.7I65 W78 T79 E83 F84 L89 K93I65-L81 HydrophobicContact CD1-CD1 3.3Å; I65-L81 HydrophobicContact CD1-CG 4.04Å; W78-L81 HydrophobicContact CE3-CD1 3.96Å; W78-L81 HydrophobicContact CZ3-CD1 4.01Å; W78-L81 PolarHBondContact O-N 3.45Å; W78-L81 VanDerWaalsContact O-N 3.09Å; T79-L81 VanDerWaalsContact C-N 3.27Å; L81-E83 PolarHBondContact O-N 2.86Å; L81-F84 CarbonylContact O-C 3.53Å; L81-F84 PolarHBondContact O-N 3.34Å; L81-L89 HydrophobicContact CD1-CB 4.5Å; L81-L89 VanDerWaalsContact CD1-O 3.28Å; L81-L89 WeakPolarHBondContact CD1-O 3.36Å; L81-L89 HydrophobicContact CD2-CB 3.62Å; L81-L89 HydrophobicContact CD2-CD1 4.32Å; L81-K93 HydrophobicContact CB-CG 4.23Å
82D85.8Confident90.6Very high88 Ų8841.3 Ų41.347%0.47121%0.213SC..Hα-helixtrans-62.4-25.2178.2-65.4-34.9000112.5T79 F84 K93T79-D82 WeakPolarHBondContact CA-OD2 3.37Å; D82-F84 VanDerWaalsContact C-N 3.29Å; D82-K93 VanDerWaalsContact OD1-CE 3.24Å; D82-K93 WeakPolarHBondContact OD1-CE 3.48Å; D82-K93 IonicContact OD1-NZ 3.63Å; D82-K93 PolarHBondContact OD1-NZ 3.11Å; D82-K93 IonicContact OD2-NZ 2.69Å; D82-K93 PolarHBondContact OD2-NZ 3.09Å
83E84.1Confident90.4Very high78 Ų7843.5 Ų43.536%0.36422%0.22SC..THydrogen-bonded Turntrans-77.8-16.6176.9-65178.6-169.100112.8F39 R42 L81 P85F39-E83 WeakPolarHBondContact CD1-OE2 3.27Å; F39-E83 WeakPolarHBondContact CE1-OE1 3.43Å; F39-E83 WeakPolarHBondContact CE1-OE2 3.48Å; R42-E83 IonicContact CZ-OE1 3.53Å; R42-E83 IonicContact NH1-OE1 3.36Å; R42-E83 PolarHBondContact NH1-OE1 3.08Å; L81-E83 PolarHBondContact O-N 2.86Å; E83-P85 VanDerWaalsContact C-CD 3.49Å
84F87.3Confident90.2Very high41 Ų4145 Ų4518%0.1824%0.241CC..  trans-134.555.5-173.6-58.5-81.8000112.1L81 D82 L86 T87 G90 F130 L131L81-F84 CarbonylContact O-C 3.53Å; L81-F84 PolarHBondContact O-N 3.34Å; D82-F84 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.71Å; F84-L86 VanDerWaalsContact O-N 3.15Å; F84-T87 HydrophobicContact CB-CG2 3.77Å; F84-T87 PolarHBondContact O-N 2.99Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 2.99Å; F84-G90 WeakPolarHBondContact O-CA 3.33Å; F84-F130 HydrophobicContact CD1-CE1 4.09Å; F84-F130 HydrophobicContact CD1-CZ 4.35Å; F84-F130 AromaticContact CE1-CE1 3.81Å; F84-F130 HydrophobicContact CE1-CE1 3.81Å; F84-F130 AromaticContact CE1-CZ 3.77Å; F84-F130 HydrophobicContact CE1-CZ 3.77Å; F84-L131 HydrophobicContact CB-CD2 3.96Å; F84-L131 HydrophobicContact CD1-CD2 4.06Å; F84-L131 HydrophobicContact CD2-CD2 3.49Å; F84-L131 VanDerWaalsContact CD2-CD2 3.49Å; F84-L131 HydrophobicContact CE1-CD2 4.45Å; F84-L131 HydrophobicContact CE2-CB 4.39Å; F84-L131 HydrophobicContact CE2-CD2 3.95Å; F84-L131 WeakPolarHBondContact CE2-O 3.15Å; F84-L131 HydrophobicContact CG-CD2 3.56Å; F84-L131 HydrophobicContact CZ-CD2 4.4Å
85P89.7Confident90.3Very high83 Ų8345.6 Ų45.654%0.53925%0.247SC..THydrogen-bonded Turntrans-64.6-24.8-170.326.9-36000113.9E83E83-P85 VanDerWaalsContact C-CD 3.49Å
86L90.3Very high90.3Very high152 Ų15250.9 Ų50.980%0.79628%0.279SS*.THydrogen-bonded Turntrans-81.8-14.8180-58.8179.5000113.3F84F84-L86 PolarHBondContact O-N 2.71Å; F84-L86 VanDerWaalsContact O-N 3.15Å
87T93.5Very high90.5Very high11 Ų1154.1 Ų54.17%0.06730%0.297CS..SBendtrans-72.5157.9176.664.80000110.6F84 L89 G90 Q91 W154 I156F84-T87 HydrophobicContact CB-CG2 3.77Å; F84-T87 PolarHBondContact O-N 2.99Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 2.99Å; T87-L89 PolarHBondContact O-N 3.06Å; T87-G90 WeakPolarHBondContact O-CA 3.42Å; T87-G90 PolarHBondContact O-N 3.05Å; T87-G90 PolarHBondContact OG1-N 3.42Å; T87-G90 VanDerWaalsContact OG1-N 3.09Å; T87-Q91 WeakPolarHBondContact O-CG 3.43Å; T87-Q91 PolarHBondContact O-N 2.97Å; T87-W154 WeakPolarHBondContact CA-O 3.47Å; T87-W154 WeakPolarHBondContact CB-O 3.48Å; T87-I156 HydrophobicContact CG2-CG1 3.96Å
88R95.9Very high90.7Very high61 Ų6157.9 Ų57.923%0.2331%0.311CS..Hα-helixtrans-54.7-42.2175.9-178.9176.5-77-96.6-1.9111.8G90 Q91 V104 F117 Y153 W154R88-G90 VanDerWaalsContact C-N 3.35Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.39Å; R88-V104 HydrophobicContact CG-CG1 3.74Å; R88-V104 PolarHBondContact NH1-O 3.36Å; R88-V104 VanDerWaalsContact O-CG1 3.32Å; R88-V104 WeakPolarHBondContact O-CG1 3.45Å; R88-F117 HydrophobicContact CG-CE1 4.45Å; R88-Y153 VanDerWaalsContact CD-CE1 3.42Å; R88-Y153 WeakPolarHBondContact CD-O 3.33Å; R88-Y153 PolarHBondContact NE-O 3.33Å; R88-W154 HydrophobicContact CB-CE3 4.47Å; R88-W154 PolarHBondContact N-O 3.09Å
89L94.3Very high90.9Very high2 Ų261.1 Ų61.11%0.0133%0.332CS..Hα-helixtrans-65.9-38.5174.8-67.6-175.8000112I67 L76 L81 T87 Q91 L92 F117 F124 L131 W154I67-L89 HydrophobicContact CD1-CD2 3.87Å; I67-L89 HydrophobicContact CG1-CD2 4.24Å; I67-L89 HydrophobicContact CG2-CD2 4.17Å; L76-L89 HydrophobicContact CD1-CD1 4.47Å; L81-L89 HydrophobicContact CD1-CB 4.5Å; L81-L89 VanDerWaalsContact CD1-O 3.28Å; L81-L89 WeakPolarHBondContact CD1-O 3.36Å; L81-L89 HydrophobicContact CD2-CB 3.62Å; L81-L89 HydrophobicContact CD2-CD1 4.32Å; T87-L89 PolarHBondContact O-N 3.06Å; L89-Q91 PolarHBondContact O-N 2.9Å; L89-L92 HydrophobicContact CD2-CD1 3.98Å; L89-L92 VanDerWaalsContact O-CB 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 WeakPolarHBondContact O-CG 3.3Å; L89-L92 PolarHBondContact O-N 3.22Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L89-F117 HydrophobicContact CD2-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE2 3.96Å; L89-F117 HydrophobicContact CD2-CZ 3.72Å; L89-F124 HydrophobicContact CD1-CE2 3.87Å; L89-F124 HydrophobicContact CD1-CZ 3.96Å; L89-L131 HydrophobicContact CD1-CD1 3.75Å; L89-W154 HydrophobicContact CD1-CZ3 4.43Å; L89-W154 HydrophobicContact CD2-CE3 4.37Å; L89-W154 HydrophobicContact CD2-CZ3 3.71Å; L89-W154 HydrophobicContact CG-CE3 4.05Å; L89-W154 HydrophobicContact CG-CZ3 3.87Å
90G92.6Very high91.3Very high4 Ų460.1 Ų60.14%0.04132%0.323CS..Hα-helixtrans-54.7-38.3173.100000113.2F84 T87 R88 L92 K93F84-G90 WeakPolarHBondContact O-CA 3.33Å; T87-G90 WeakPolarHBondContact O-CA 3.42Å; T87-G90 PolarHBondContact O-N 3.05Å; T87-G90 PolarHBondContact OG1-N 3.42Å; T87-G90 VanDerWaalsContact OG1-N 3.09Å; R88-G90 VanDerWaalsContact C-N 3.35Å; G90-L92 PolarHBondContact O-N 3.36Å; G90-K93 WeakPolarHBondContact O-CB 3.32Å; G90-K93 PolarHBondContact O-N 3.39Å; G90-K93 VanDerWaalsContact O-N 3.11Å
91Q94.9Very high91.7Very high88 Ų8860.9 Ų60.941%0.41133%0.327SS..Hα-helixtrans-62.9-25.4179.5-63.8168.329.100113.2T87 R88 L89 K93 A94 C95 V104T87-Q91 WeakPolarHBondContact O-CG 3.43Å; T87-Q91 PolarHBondContact O-N 2.97Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.39Å; L89-Q91 PolarHBondContact O-N 2.9Å; Q91-K93 PolarHBondContact O-N 3.06Å; Q91-K93 VanDerWaalsContact O-N 3.11Å; Q91-A94 PolarHBondContact O-N 3.26Å; Q91-C95 PolarHBondContact O-N 3.42Å; Q91-C95 PolarHBondContact O-SG 2.91Å; Q91-V104 HydrophobicContact CB-CG1 4.48Å; Q91-V104 HydrophobicContact CB-CG2 4.18Å
92L94.2Very high92.1Very high5 Ų564.1 Ų64.13%0.02634%0.344CS..THydrogen-bonded Turntrans-57.7-27.5175-64.1174.8000112.6I67 W78 L89 G90 A94 C95 V104 F115 F117I67-L92 HydrophobicContact CD1-CD1 3.85Å; W78-L92 HydrophobicContact CZ3-CB 4.27Å; L89-L92 HydrophobicContact CD2-CD1 3.98Å; L89-L92 VanDerWaalsContact O-CB 3.28Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 WeakPolarHBondContact O-CG 3.3Å; L89-L92 PolarHBondContact O-N 3.22Å; L89-L92 VanDerWaalsContact O-N 3.13Å; G90-L92 PolarHBondContact O-N 3.36Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-C95 PolarHBondContact O-N 2.92Å; L92-V104 HydrophobicContact CD2-CB 3.92Å; L92-V104 HydrophobicContact CD2-CG1 3.51Å; L92-V104 HydrophobicContact CG-CG1 3.97Å; L92-F115 HydrophobicContact CD1-CB 4.5Å; L92-F115 HydrophobicContact CD1-CD1 4.24Å; L92-F115 HydrophobicContact CD1-CD2 4.37Å; L92-F115 HydrophobicContact CD1-CG 4.12Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.81Å; L92-F115 HydrophobicContact CD2-CG 4.34Å; L92-F117 HydrophobicContact CD1-CZ 4.26Å
93K90.4Very high92.5Very high86 Ų8666 Ų6637%0.37435%0.354SS..THydrogen-bonded Turntrans-68.9-28.5175.4-81.1-74.8-165124.10113.7W78 L81 D82 G90 Q91W78-K93 HydrophobicContact CD2-CD 4.29Å; W78-K93 HydrophobicContact CE3-CD 3.55Å; W78-K93 HydrophobicContact CE3-CG 4.01Å; W78-K93 HydrophobicContact CZ3-CD 3.95Å; W78-K93 HydrophobicContact CZ3-CG 4.15Å; W78-K93 WeakPolarHBondContact O-CE 3.34Å; L81-K93 HydrophobicContact CB-CG 4.23Å; D82-K93 VanDerWaalsContact OD1-CE 3.24Å; D82-K93 WeakPolarHBondContact OD1-CE 3.48Å; D82-K93 IonicContact OD1-NZ 3.63Å; D82-K93 PolarHBondContact OD1-NZ 3.11Å; D82-K93 IonicContact OD2-NZ 2.69Å; D82-K93 PolarHBondContact OD2-NZ 3.09Å; G90-K93 WeakPolarHBondContact O-CB 3.32Å; G90-K93 PolarHBondContact O-N 3.39Å; G90-K93 VanDerWaalsContact O-N 3.11Å; Q91-K93 PolarHBondContact O-N 3.06Å; Q91-K93 VanDerWaalsContact O-N 3.11Å
94A90.9Very high93.1Very high77 Ų7762.8 Ų62.864%0.63634%0.34SS*.THydrogen-bonded Turntrans-87.7-11.6-178.800000112.5Q91 L92 T96Q91-A94 PolarHBondContact O-N 3.26Å; L92-A94 VanDerWaalsContact C-N 3.31Å; A94-T96 PolarHBondContact O-N 3.1Å
95C93.4Very high93.6Very high28 Ų2860.9 Ų60.919%0.18933%0.332CS..  trans-69.8129.8179.8-62.10000110.6Q91 L92 D100 I101Q91-C95 PolarHBondContact O-N 3.42Å; Q91-C95 PolarHBondContact O-SG 2.91Å; L92-C95 PolarHBondContact O-N 2.92Å; C95-D100 HydrophobicContact CB-CB 3.82Å; C95-I101 HydrophobicContact CB-CG1 3.72Å
96T89.8Confident93.9Very high124 Ų12461.2 Ų61.276%0.76133%0.329SS*.  trans-113.2-23.6-177.160.40000113.2A94 D100A94-T96 PolarHBondContact O-N 3.1Å; T96-D100 PolarHBondContact N-OD2 3.23Å; T96-D100 PolarHBondContact OG1-OD2 2.95Å
97N92.9Very high94.2Very high68 Ų6858.6 Ų58.636%0.36432%0.316SS..SBendtrans-133.7173.6-177.864.962.7000110.6D99 D100 I101N97-D99 WeakPolarHBondContact OD1-CB 3.5Å; N97-D99 PolarHBondContact OD1-N 3.36Å; N97-D100 VanDerWaalsContact CG-CG 3.44Å; N97-D100 PolarHBondContact N-OD2 3.4Å; N97-D100 PolarHBondContact ND2-OD1 3.41Å; N97-D100 VanDerWaalsContact ND2-OD1 3.09Å; N97-D100 PolarHBondContact ND2-OD2 3.5Å; N97-D100 VanDerWaalsContact OD1-CG 3.29Å; N97-D100 PolarHBondContact OD1-N 2.88Å; N97-D100 PolarHBondContact OD1-OD1 2.92Å; N97-I101 WeakPolarHBondContact O-CG1 3.11Å; N97-I101 PolarHBondContact O-N 3.3Å
98F92.4Very high94.3Very high98 Ų9859.5 Ų59.543%0.4332%0.318SS..Hα-helixtrans-66.9-36.1-176.5-172.8-102000112.8I101 L102 Y108F98-I101 WeakPolarHBondContact O-CB 3.03Å; F98-I101 PolarHBondContact O-N 3.48Å; F98-L102 HydrophobicContact CD1-CD1 3.79Å; F98-L102 HydrophobicContact CD1-CG 4.18Å; F98-L102 HydrophobicContact CE1-CD1 3.25Å; F98-L102 HydrophobicContact CE1-CD2 4.45Å; F98-L102 HydrophobicContact CE1-CG 3.87Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 HydrophobicContact CZ-CD2 4.25Å; F98-L102 HydrophobicContact CZ-CG 4.13Å; F98-L102 PolarHBondContact O-N 3.26Å; F98-Y108 AromaticContact CD2-CD1 3.99Å; F98-Y108 HydrophobicContact CD2-CD1 3.99Å; F98-Y108 AromaticContact CE2-CD1 3.94Å; F98-Y108 HydrophobicContact CE2-CD1 3.94Å
99D94.1Very high94.2Very high112 Ų11259.4 Ų59.460%0.59932%0.322SS*.Hα-helixtrans-68-40.2179.5-59.8-33000111.3N97 I101 L102 N103N97-D99 WeakPolarHBondContact OD1-CB 3.5Å; N97-D99 PolarHBondContact OD1-N 3.36Å; D99-I101 VanDerWaalsContact C-N 3.25Å; D99-I101 PolarHBondContact O-N 3.43Å; D99-L102 PolarHBondContact O-N 3.14Å; D99-N103 PolarHBondContact O-N 3.04Å; D99-N103 PolarHBondContact O-ND2 3.42Å
100D95.6Very high93.9Very high52 Ų5262.9 Ų62.928%0.27834%0.343SS..Hα-helixtrans-56.1-43.5172.6-61.5-17.7000110.7C95 T96 N97 N103C95-D100 HydrophobicContact CB-CB 3.82Å; T96-D100 PolarHBondContact N-OD2 3.23Å; T96-D100 PolarHBondContact OG1-OD2 2.95Å; N97-D100 VanDerWaalsContact CG-CG 3.44Å; N97-D100 PolarHBondContact N-OD2 3.4Å; N97-D100 PolarHBondContact ND2-OD1 3.41Å; N97-D100 VanDerWaalsContact ND2-OD1 3.09Å; N97-D100 PolarHBondContact ND2-OD2 3.5Å; N97-D100 VanDerWaalsContact OD1-CG 3.29Å; N97-D100 PolarHBondContact OD1-N 2.88Å; N97-D100 PolarHBondContact OD1-OD1 2.92Å; D100-N103 PolarHBondContact O-N 3.26Å
101I95.4Very high93.6Very high20 Ų2067.1 Ų67.110%0.10337%0.369CS..Hα-helixtrans-63.4-47.4-179.9-67.6170000110.4C95 N97 F98 D99 N103 V104 C105 Y108 F115C95-I101 HydrophobicContact CB-CG1 3.72Å; N97-I101 WeakPolarHBondContact O-CG1 3.11Å; N97-I101 PolarHBondContact O-N 3.3Å; F98-I101 WeakPolarHBondContact O-CB 3.03Å; F98-I101 PolarHBondContact O-N 3.48Å; D99-I101 VanDerWaalsContact C-N 3.25Å; D99-I101 PolarHBondContact O-N 3.43Å; I101-N103 PolarHBondContact O-N 2.97Å; I101-V104 WeakPolarHBondContact O-CA 3.47Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.26Å; I101-C105 VanDerWaalsContact CG2-SG 3.53Å; I101-C105 PolarHBondContact O-N 2.88Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.38Å; I101-Y108 HydrophobicContact CD1-CD1 3.95Å; I101-Y108 HydrophobicContact CD1-CE1 3.83Å; I101-Y108 HydrophobicContact CG2-CD1 4.16Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.78Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.2Å; I101-F115 HydrophobicContact CG1-CE1 4.18Å; I101-F115 HydrophobicContact CG2-CD1 3.71Å; I101-F115 HydrophobicContact CG2-CE1 3.56Å
102L95.8Very high93Very high68 Ų6864.3 Ų64.336%0.35636%0.359SS..Hα-helixtrans-69.6-16.6-179.5-67.7-172.2000113.9F98 D99 C105F98-L102 HydrophobicContact CD1-CD1 3.79Å; F98-L102 HydrophobicContact CD1-CG 4.18Å; F98-L102 HydrophobicContact CE1-CD1 3.25Å; F98-L102 HydrophobicContact CE1-CD2 4.45Å; F98-L102 HydrophobicContact CE1-CG 3.87Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 HydrophobicContact CZ-CD2 4.25Å; F98-L102 HydrophobicContact CZ-CG 4.13Å; F98-L102 PolarHBondContact O-N 3.26Å; D99-L102 PolarHBondContact O-N 3.14Å; L102-C105 CarbonylContact C-O 3.2Å; L102-C105 WeakPolarHBondContact CA-O 3.45Å; L102-C105 VanDerWaalsContact O-O 3.07Å
103N95.4Very high92.8Very high128 Ų12864.6 Ų64.668%0.68436%0.36SS*.Hα-helixtrans-73.3-19.9167.9-70.9-46.2000112.5D99 D100 I101D99-N103 PolarHBondContact O-N 3.04Å; D99-N103 PolarHBondContact O-ND2 3.42Å; D100-N103 PolarHBondContact O-N 3.26Å; I101-N103 PolarHBondContact O-N 2.97Å
104V96.5Very high92.9Very high10 Ų1061.5 Ų61.56%0.06135%0.347CS..Hα-helixtrans-101.2-40.3-176.9-178.70000112.1R88 Q91 L92 I101 F117R88-V104 HydrophobicContact CG-CG1 3.74Å; R88-V104 PolarHBondContact NH1-O 3.36Å; R88-V104 VanDerWaalsContact O-CG1 3.32Å; R88-V104 WeakPolarHBondContact O-CG1 3.45Å; Q91-V104 HydrophobicContact CB-CG1 4.48Å; Q91-V104 HydrophobicContact CB-CG2 4.18Å; L92-V104 HydrophobicContact CD2-CB 3.92Å; L92-V104 HydrophobicContact CD2-CG1 3.51Å; L92-V104 HydrophobicContact CG-CG1 3.97Å; I101-V104 WeakPolarHBondContact O-CA 3.47Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.26Å; V104-F117 WeakPolarHBondContact O-CE1 3.46Å
105C96.8Very high93.2Very high2 Ų258 Ų581%0.01432%0.317CS..SBendtrans-126.2161.9-178.170.40000112.3I101 L102 D107 F115 F116 F117I101-C105 VanDerWaalsContact CG2-SG 3.53Å; I101-C105 PolarHBondContact O-N 2.88Å; I101-C105 PolarHBondContact O-SG 3.22Å; I101-C105 VanDerWaalsContact O-SG 3.38Å; L102-C105 CarbonylContact C-O 3.2Å; L102-C105 WeakPolarHBondContact CA-O 3.45Å; L102-C105 VanDerWaalsContact O-O 3.07Å; C105-D107 PolarHBondContact SG-O 2.89Å; C105-D107 VanDerWaalsContact SG-O 3.32Å; C105-F115 HydrophobicContact CB-CB 4.38Å; C105-F116 WeakPolarHBondContact CB-O 3.33Å; C105-F117 HydrophobicContact CB-CD1 4.07Å; C105-F117 HydrophobicContact CB-CE1 3.58Å; C105-F117 HydrophobicContact CB-CE2 4.04Å; C105-F117 HydrophobicContact CB-CZ 3.55Å
106D97.3Very high93.4Very high90 Ų9059.5 Ų59.548%0.48132%0.321SS..SBendtrans-80.8-29-172.7-57.2-57.8000112.8F116 F117 D118D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.92Å; D106-F117 WeakPolarHBondContact OD2-CA 3.48Å; D106-D118 PolarHBondContact OD2-N 2.89Å
107D96.9Very high93.8Very high97 Ų9753.6 Ų53.652%0.51928%0.284SS..EExtended strand (participates in β ladder)trans-152.1157.7173.3-163.85.7000111.1C105 F116C105-D107 PolarHBondContact SG-O 2.89Å; C105-D107 VanDerWaalsContact SG-O 3.32Å; D107-F116 HydrophobicContact CB-CB 3.94Å; D107-F116 HydrophobicContact CB-CD1 4.26Å; D107-F116 HydrophobicContact CB-CG 4.48Å; D107-F116 PolarHBondContact N-O 2.98Å; D107-F116 PolarHBondContact O-N 3.43Å
108Y95.8Very high94Very high29 Ų2956 Ų5611%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-140.4116.3-179.9178.3-121.2000112.9F98 I101 V110 N113 E114 F115F98-Y108 AromaticContact CD2-CD1 3.99Å; F98-Y108 HydrophobicContact CD2-CD1 3.99Å; F98-Y108 AromaticContact CE2-CD1 3.94Å; F98-Y108 HydrophobicContact CE2-CD1 3.94Å; I101-Y108 HydrophobicContact CD1-CD1 3.95Å; I101-Y108 HydrophobicContact CD1-CE1 3.83Å; I101-Y108 HydrophobicContact CG2-CD1 4.16Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.78Å; Y108-V110 HydrophobicContact CD1-CG2 3.88Å; Y108-V110 HydrophobicContact CE1-CB 4.31Å; Y108-V110 HydrophobicContact CE1-CG2 3.69Å; Y108-N113 PolarHBondContact OH-OD1 3.11Å; Y108-E114 WeakPolarHBondContact CA-O 3.36Å; Y108-E114 WeakPolarHBondContact CD2-O 3.34Å; Y108-F115 AromaticContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD1 3.49Å; Y108-F115 VanDerWaalsContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD2 4.24Å; Y108-F115 AromaticContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE1 3.5Å; Y108-F115 VanDerWaalsContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE2 4.23Å; Y108-F115 AromaticContact CD2-CG 3.89Å; Y108-F115 HydrophobicContact CD2-CG 3.89Å; Y108-F115 AromaticContact CD2-CZ 3.88Å; Y108-F115 HydrophobicContact CD2-CZ 3.88Å; Y108-F115 AromaticContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD2 4.09Å; Y108-F115 AromaticContact CE2-CE1 3.51Å; Y108-F115 HydrophobicContact CE2-CE1 3.51Å; Y108-F115 AromaticContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CG 4.2Å; Y108-F115 AromaticContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CG-CD1 4.32Å; Y108-F115 HydrophobicContact CG-CE1 4.28Å
109D92.2Very high94.2Very high59 Ų5954.7 Ų54.732%0.31629%0.29SS..EExtended strand (participates in β ladder)trans-91.2105.2171.7176.710.5000110.9T111 C112 N113 E114D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-T111 WeakPolarHBondContact OD1-CA 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.43Å; D109-T111 PolarHBondContact OD2-OG1 3.23Å; D109-T111 VanDerWaalsContact OD2-OG1 3.08Å; D109-C112 PolarHBondContact O-N 3.02Å; D109-C112 WeakPolarHBondContact OD2-CB 3.35Å; D109-C112 PolarHBondContact OD2-SG 3.07Å; D109-N113 WeakPolarHBondContact O-CA 3.23Å; D109-N113 PolarHBondContact O-N 3.21Å; D109-E114 HydrophobicContact CB-CB 4.25Å; D109-E114 PolarHBondContact N-O 3.39Å; D109-E114 PolarHBondContact O-N 2.9Å
110V88.4Confident94.3Very high75 Ų7552.5 Ų52.546%0.45528%0.278SS..THydrogen-bonded Turntrans-62.4-28.1177.8-173.90000112.4R61 Y108R61-V110 PolarHBondContact NH1-O 3.11Å; R61-V110 PolarHBondContact NH2-O 2.89Å; Y108-V110 HydrophobicContact CD1-CG2 3.88Å; Y108-V110 HydrophobicContact CE1-CB 4.31Å; Y108-V110 HydrophobicContact CE1-CG2 3.69Å
111T85.6Confident94.3Very high93 Ų9351.9 Ų51.957%0.57128%0.277SS*.THydrogen-bonded Turntrans-73.4-42.1-176.470.20000111.3D109D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-T111 WeakPolarHBondContact OD1-CA 3.22Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.43Å; D109-T111 PolarHBondContact OD2-OG1 3.23Å; D109-T111 VanDerWaalsContact OD2-OG1 3.08Å
112C83Confident94.2Very high30 Ų3052.7 Ų52.720%0.20329%0.29CS..THydrogen-bonded Turntrans-95-9.1-179.9-61.30000113.7I66 D109 E114I66-C112 HydrophobicContact CD1-CB 4.45Å; D109-C112 PolarHBondContact O-N 3.02Å; D109-C112 WeakPolarHBondContact OD2-CB 3.35Å; D109-C112 PolarHBondContact OD2-SG 3.07Å; C112-E114 VanDerWaalsContact C-N 3.29Å; C112-E114 HydrophobicContact CB-CB 4.04Å
113N89.3Confident94.2Very high11 Ų1149.5 Ų49.56%0.05927%0.273CS..THydrogen-bonded Turntrans5548.1-167.7-164.342.1000111.1R61 R64 I66 Y108 D109R61-N113 HydrophobicContact CB-CB 4.33Å; R61-N113 HydrophobicContact CG-CB 4.03Å; R61-N113 PolarHBondContact O-ND2 2.94Å; R64-N113 PolarHBondContact O-ND2 3.5Å; I66-N113 PolarHBondContact N-O 3.49Å; Y108-N113 PolarHBondContact OH-OD1 3.11Å; D109-N113 WeakPolarHBondContact O-CA 3.23Å; D109-N113 PolarHBondContact O-N 3.21Å
114E93.7Very high94.2Very high20 Ų2043.4 Ų43.49%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-109.5124.4-174.9173.7176.6161.100110.5I66 N68 K73 Y108 D109 C112I66-E114 HydrophobicContact CB-CB 3.96Å; I66-E114 HydrophobicContact CB-CG 4.22Å; I66-E114 HydrophobicContact CG2-CB 4.07Å; I66-E114 HydrophobicContact CG2-CG 3.81Å; I66-E114 WeakPolarHBondContact O-CA 3.49Å; N68-E114 HydrophobicContact CB-CG 4.02Å; N68-E114 VanDerWaalsContact CB-OE1 3.28Å; N68-E114 WeakPolarHBondContact CB-OE1 3.45Å; N68-E114 PolarHBondContact ND2-OE1 2.94Å; K73-E114 WeakPolarHBondContact CE-OE1 3.41Å; K73-E114 VanDerWaalsContact CE-OE2 3.26Å; K73-E114 WeakPolarHBondContact CE-OE2 3.35Å; K73-E114 IonicContact NZ-OE1 2.79Å; K73-E114 IonicContact NZ-OE2 2.79Å; K73-E114 PolarHBondContact NZ-OE2 2.77Å; Y108-E114 WeakPolarHBondContact CA-O 3.36Å; Y108-E114 WeakPolarHBondContact CD2-O 3.34Å; D109-E114 HydrophobicContact CB-CB 4.25Å; D109-E114 PolarHBondContact N-O 3.39Å; D109-E114 PolarHBondContact O-N 2.9Å; C112-E114 VanDerWaalsContact C-N 3.29Å; C112-E114 HydrophobicContact CB-CB 4.04Å
115F96.4Very high94Very high4 Ų444.1 Ų44.12%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-104.3122.7177.1-59.2-95.3000108.9I65 I66 I67 N68 W78 L92 I101 C105 Y108 F117I65-F115 HydrophobicContact CB-CE2 4.43Å; I65-F115 HydrophobicContact CG2-CE2 4.24Å; I66-F115 PolarHBondContact O-N 2.75Å; I67-F115 HydrophobicContact CD1-CB 4.12Å; I67-F115 HydrophobicContact CD1-CD2 4.23Å; I67-F115 HydrophobicContact CD1-CG 4.49Å; N68-F115 PolarHBondContact N-O 2.61Å; W78-F115 HydrophobicContact CH2-CE2 4.3Å; W78-F115 HydrophobicContact CH2-CZ 4.25Å; L92-F115 HydrophobicContact CD1-CB 4.5Å; L92-F115 HydrophobicContact CD1-CD1 4.24Å; L92-F115 HydrophobicContact CD1-CD2 4.37Å; L92-F115 HydrophobicContact CD1-CG 4.12Å; L92-F115 HydrophobicContact CD2-CD1 3.65Å; L92-F115 HydrophobicContact CD2-CE1 3.81Å; L92-F115 HydrophobicContact CD2-CG 4.34Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.2Å; I101-F115 HydrophobicContact CG1-CE1 4.18Å; I101-F115 HydrophobicContact CG2-CD1 3.71Å; I101-F115 HydrophobicContact CG2-CE1 3.56Å; C105-F115 HydrophobicContact CB-CB 4.38Å; Y108-F115 AromaticContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD1 3.49Å; Y108-F115 VanDerWaalsContact CD2-CD1 3.49Å; Y108-F115 HydrophobicContact CD2-CD2 4.24Å; Y108-F115 AromaticContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE1 3.5Å; Y108-F115 VanDerWaalsContact CD2-CE1 3.5Å; Y108-F115 HydrophobicContact CD2-CE2 4.23Å; Y108-F115 AromaticContact CD2-CG 3.89Å; Y108-F115 HydrophobicContact CD2-CG 3.89Å; Y108-F115 AromaticContact CD2-CZ 3.88Å; Y108-F115 HydrophobicContact CD2-CZ 3.88Å; Y108-F115 AromaticContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD1 3.91Å; Y108-F115 HydrophobicContact CE2-CD2 4.09Å; Y108-F115 AromaticContact CE2-CE1 3.51Å; Y108-F115 HydrophobicContact CE2-CE1 3.51Å; Y108-F115 AromaticContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CE2 3.69Å; Y108-F115 HydrophobicContact CE2-CG 4.2Å; Y108-F115 AromaticContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CE2-CZ 3.38Å; Y108-F115 HydrophobicContact CG-CD1 4.32Å; Y108-F115 HydrophobicContact CG-CE1 4.28Å; F115-F117 HydrophobicContact CB-CE2 3.76Å; F115-F117 HydrophobicContact CB-CZ 4.34Å
116F97.6Very high93.8Very high59 Ų5945 Ų4526%0.25926%0.256SS..EExtended strand (participates in β ladder)trans-100.4136.7-176.9-177.8-100.1000111.8N68 C105 D106 D107 D118N68-F116 HydrophobicContact CB-CD2 4Å; N68-F116 CarbonylContact O-C 3.53Å; N68-F116 WeakPolarHBondContact O-CA 3.37Å; C105-F116 WeakPolarHBondContact CB-O 3.33Å; D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.92Å; D107-F116 HydrophobicContact CB-CB 3.94Å; D107-F116 HydrophobicContact CB-CD1 4.26Å; D107-F116 HydrophobicContact CB-CG 4.48Å; D107-F116 PolarHBondContact N-O 2.98Å; D107-F116 PolarHBondContact O-N 3.43Å; F116-D118 HydrophobicContact CE1-CB 3.97Å; F116-D118 HydrophobicContact CZ-CB 4.49Å
117F98.3Very high93.6Very high0 Ų040.8 Ų40.80%023%0.233CC..EExtended strand (participates in β ladder)trans-130.9118.7178.2-59.7-94.6000108.9I67 N68 V69 G70 R88 L89 L92 V104 C105 D106 F115 R119 Y153 W154I67-F117 HydrophobicContact CD1-CE2 4.16Å; I67-F117 HydrophobicContact CG2-CD2 3.87Å; I67-F117 HydrophobicContact CG2-CE2 3.83Å; N68-F117 PolarHBondContact O-N 3.46Å; V69-F117 WeakPolarHBondContact CA-O 3.41Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.25Å; V69-F117 HydrophobicContact CG2-CD2 4.41Å; G70-F117 PolarHBondContact N-O 3.43Å; R88-F117 HydrophobicContact CG-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE1 4.45Å; L89-F117 HydrophobicContact CD2-CE2 3.96Å; L89-F117 HydrophobicContact CD2-CZ 3.72Å; L92-F117 HydrophobicContact CD1-CZ 4.26Å; V104-F117 WeakPolarHBondContact O-CE1 3.46Å; C105-F117 HydrophobicContact CB-CD1 4.07Å; C105-F117 HydrophobicContact CB-CE1 3.58Å; C105-F117 HydrophobicContact CB-CE2 4.04Å; C105-F117 HydrophobicContact CB-CZ 3.55Å; D106-F117 WeakPolarHBondContact OD2-CA 3.48Å; F115-F117 HydrophobicContact CB-CE2 3.76Å; F115-F117 HydrophobicContact CB-CZ 4.34Å; F117-R119 HydrophobicContact CB-CG 4.3Å; F117-R119 PolarHBondContact O-N 3.24Å; F117-Y153 HydrophobicContact CD1-CE1 4.17Å; F117-Y153 WeakPolarHBondContact CD1-OH 3.48Å; F117-W154 HydrophobicContact CB-CH2 3.89Å; F117-W154 HydrophobicContact CB-CZ2 4.46Å; F117-W154 AromaticContact CD1-CH2 3.75Å; F117-W154 HydrophobicContact CD1-CH2 3.75Å; F117-W154 AromaticContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD2-CH2 4.13Å; F117-W154 HydrophobicContact CE1-CH2 4.3Å; F117-W154 HydrophobicContact CE1-CZ3 4.03Å; F117-W154 AromaticContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CZ3 4.19Å; F117-W154 HydrophobicContact CZ-CZ3 4.39Å
118D97.3Very high93.3Very high118 Ų11836.2 Ų36.263%0.63121%0.209SC*.  trans-81.159.2177.4-165.419.5000111D106 F116D106-D118 PolarHBondContact OD2-N 2.89Å; F116-D118 HydrophobicContact CE1-CB 3.97Å; F116-D118 HydrophobicContact CZ-CB 4.49Å
119R97.5Very high93Very high72 Ų7237.9 Ų37.927%0.27222%0.222SC..SBendtrans-124.5172.3-175.4-58.5-56.3-54.7-178.4-0.8112V69 F117 P121 E150 Y153 W154V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-R119 WeakPolarHBondContact CG1-O 3.34Å; F117-R119 HydrophobicContact CB-CG 4.3Å; F117-R119 PolarHBondContact O-N 3.24Å; R119-P121 VanDerWaalsContact O-CD 3.22Å; R119-P121 WeakPolarHBondContact O-CD 3.5Å; R119-E150 IonicContact CZ-OE1 2.65Å; R119-E150 VanDerWaalsContact CZ-OE1 3.27Å; R119-E150 IonicContact NE-OE1 3.81Å; R119-E150 PolarHBondContact NE-OE1 2.79Å; R119-E150 IonicContact NH2-OE1 3.76Å; R119-E150 PolarHBondContact NH2-OE1 2.88Å; R119-Y153 HydrophobicContact CG-CD1 3.93Å; R119-Y153 HydrophobicContact CG-CE1 3.45Å; R119-Y153 VanDerWaalsContact CG-CE1 3.45Å; R119-Y153 HydrophobicContact CG-CE2 4.23Å; R119-Y153 HydrophobicContact CG-CG 4.5Å; R119-W154 HydrophobicContact CB-CZ2 4.05Å; R119-W154 HydrophobicContact CG-CZ2 4.17Å
120N95.9Very high92.9Very high65 Ų6535.5 Ų35.535%0.34821%0.209SC..  trans-71.1114.8-176.7-171.2-65000112.1G122 A123 F124 M142N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 3.43Å; N120-G122 VanDerWaalsContact OD1-CA 3.29Å; N120-G122 WeakPolarHBondContact OD1-CA 3.34Å; N120-G122 PolarHBondContact OD1-N 3.1Å; N120-A123 HydrophobicContact CB-CB 4.2Å; N120-A123 PolarHBondContact O-N 3.09Å; N120-A123 PolarHBondContact OD1-N 3.05Å; N120-F124 PolarHBondContact O-N 3.36Å; N120-F124 VanDerWaalsContact O-N 3.1Å; N120-M142 HydrophobicContact CB-CE 4.07Å; N120-M142 VanDerWaalsContact CG-CE 3.44Å; N120-M142 WeakPolarHBondContact ND2-CE 3.27Å
121P94.9Very high92.7Very high40 Ų4032.1 Ų32.126%0.2619%0.188SC..Hα-helixtrans-66.5-26.3-17923-31.4000113.8I72 R119 G125I72-P121 HydrophobicContact CB-CB 4.31Å; I72-P121 HydrophobicContact CD1-CB 3.59Å; I72-P121 HydrophobicContact CD1-CG 4.2Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.45Å; R119-P121 VanDerWaalsContact O-CD 3.22Å; R119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-G125 PolarHBondContact O-N 3.26Å
122G93.7Very high92.5Very high37 Ų3730.3 Ų30.338%0.38117%0.171SC..Hα-helixtrans-67.5-48.2176.800000112N120 F124 G125N120-G122 VanDerWaalsContact C-N 3.26Å; N120-G122 PolarHBondContact O-N 3.43Å; N120-G122 VanDerWaalsContact OD1-CA 3.29Å; N120-G122 WeakPolarHBondContact OD1-CA 3.34Å; N120-G122 PolarHBondContact OD1-N 3.1Å; G122-F124 VanDerWaalsContact C-N 3.34Å; G122-G125 PolarHBondContact O-N 3Å
123A95.1Very high92.3Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-59.7-47.3173.100000111.1N120 G125 T126 I127 M142 E150N120-A123 HydrophobicContact CB-CB 4.2Å; N120-A123 PolarHBondContact O-N 3.09Å; N120-A123 PolarHBondContact OD1-N 3.05Å; A123-G125 PolarHBondContact O-N 2.7Å; A123-T126 WeakPolarHBondContact O-CB 3.21Å; A123-T126 PolarHBondContact O-N 3.28Å; A123-I127 PolarHBondContact O-N 3.42Å; A123-I127 VanDerWaalsContact O-N 3.14Å; A123-M142 HydrophobicContact CB-CE 3.81Å; A123-M142 HydrophobicContact CB-SD 3.84Å; A123-E150 HydrophobicContact CB-CB 3.93Å; A123-E150 HydrophobicContact CB-CG 3.55Å
124F95.6Very high92Very high0 Ų031.6 Ų31.60%019%0.19CC..Hα-helixtrans-59.2-34.1180-172.8-105.5000112.9I67 V69 Y74 L89 N120 G122 T126 I127 L128 W154I67-F124 HydrophobicContact CG2-CE1 4.19Å; I67-F124 HydrophobicContact CG2-CE2 4.45Å; I67-F124 HydrophobicContact CG2-CZ 3.75Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 4.05Å; V69-F124 HydrophobicContact CB-CG 4.08Å; V69-F124 HydrophobicContact CG1-CB 3.88Å; V69-F124 HydrophobicContact CG1-CG 4.14Å; V69-F124 HydrophobicContact CG2-CB 4.28Å; V69-F124 HydrophobicContact CG2-CD1 3.53Å; V69-F124 HydrophobicContact CG2-CD2 3.89Å; V69-F124 HydrophobicContact CG2-CE1 3.72Å; V69-F124 HydrophobicContact CG2-CE2 4.06Å; V69-F124 HydrophobicContact CG2-CG 3.61Å; V69-F124 HydrophobicContact CG2-CZ 3.97Å; Y74-F124 AromaticContact CD2-CD1 3.84Å; Y74-F124 HydrophobicContact CD2-CD1 3.84Å; Y74-F124 AromaticContact CD2-CE1 3.49Å; Y74-F124 HydrophobicContact CD2-CE1 3.49Å; Y74-F124 VanDerWaalsContact CD2-CE1 3.49Å; Y74-F124 AromaticContact CE2-CD1 3.43Å; Y74-F124 HydrophobicContact CE2-CD1 3.43Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.43Å; Y74-F124 AromaticContact CE2-CE1 3.62Å; Y74-F124 HydrophobicContact CE2-CE1 3.62Å; Y74-F124 AromaticContact CG-CE1 3.98Å; Y74-F124 HydrophobicContact CG-CE1 3.98Å; Y74-F124 AromaticContact CZ-CD1 3.79Å; L89-F124 HydrophobicContact CD1-CE2 3.87Å; L89-F124 HydrophobicContact CD1-CZ 3.96Å; N120-F124 PolarHBondContact O-N 3.36Å; N120-F124 VanDerWaalsContact O-N 3.1Å; G122-F124 VanDerWaalsContact C-N 3.34Å; F124-T126 PolarHBondContact O-N 3.32Å; F124-I127 HydrophobicContact CD2-CB 4.44Å; F124-I127 HydrophobicContact CD2-CG2 4.25Å; F124-I127 HydrophobicContact CE2-CG2 4.37Å; F124-I127 PolarHBondContact O-N 2.93Å; F124-L128 HydrophobicContact CD1-CB 4.47Å; F124-L128 HydrophobicContact CE1-CB 4.21Å; F124-L128 HydrophobicContact CE1-CD2 4.08Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.5Å; F124-W154 HydrophobicContact CB-CZ2 4.47Å; F124-W154 HydrophobicContact CD2-CD2 4.13Å; F124-W154 AromaticContact CD2-CE2 3.65Å; F124-W154 HydrophobicContact CD2-CE3 4.33Å; F124-W154 AromaticContact CD2-CH2 3.64Å; F124-W154 HydrophobicContact CD2-CH2 3.64Å; F124-W154 AromaticContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ3 4.11Å; F124-W154 HydrophobicContact CE2-CD2 4.37Å; F124-W154 HydrophobicContact CE2-CE3 4.13Å; F124-W154 AromaticContact CE2-CH2 3.66Å; F124-W154 HydrophobicContact CE2-CH2 3.66Å; F124-W154 AromaticContact CE2-CZ2 3.92Å; F124-W154 HydrophobicContact CE2-CZ2 3.92Å; F124-W154 AromaticContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å
125G93.1Very high91.5Very high26 Ų2634.2 Ų34.227%0.26820%0.2SC..Hα-helixtrans-56.4-36.1173.300000113.6P121 G122 A123 T129P121-G125 PolarHBondContact O-N 3.26Å; G122-G125 PolarHBondContact O-N 3Å; A123-G125 PolarHBondContact O-N 2.7Å; G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 VanDerWaalsContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 2.9Å
126T93.1Very high91.3Very high20 Ų2034 Ų3412%0.12320%0.2CC..Hα-helixtrans-77-39.3177.9-50.80000111.6A123 F124 T129 F130 L136 R137 F147A123-T126 WeakPolarHBondContact O-CB 3.21Å; A123-T126 PolarHBondContact O-N 3.28Å; F124-T126 PolarHBondContact O-N 3.32Å; T126-T129 WeakPolarHBondContact O-CB 3.19Å; T126-T129 PolarHBondContact O-N 2.85Å; T126-T129 VanDerWaalsContact O-N 3.17Å; T126-F130 PolarHBondContact O-N 3.4Å; T126-L136 HydrophobicContact CG2-CD1 4.41Å; T126-R137 HydrophobicContact CG2-CB 4.37Å; T126-R137 WeakPolarHBondContact CG2-O 3.4Å; T126-F147 HydrophobicContact CG2-CZ 4.47Å
127I93.1Very high91.1Very high1 Ų136.7 Ų36.71%0.00521%0.208CC..Hα-helixtrans-62.8-43.7174.8-69.7173000111.1A123 F124 T129 F130 L131 E150 W154 I156A123-I127 PolarHBondContact O-N 3.42Å; A123-I127 VanDerWaalsContact O-N 3.14Å; F124-I127 HydrophobicContact CD2-CB 4.44Å; F124-I127 HydrophobicContact CD2-CG2 4.25Å; F124-I127 HydrophobicContact CE2-CG2 4.37Å; F124-I127 PolarHBondContact O-N 2.93Å; I127-T129 VanDerWaalsContact C-N 3.26Å; I127-T129 PolarHBondContact O-N 3.3Å; I127-F130 WeakPolarHBondContact O-CA 3.38Å; I127-F130 VanDerWaalsContact O-CB 3.29Å; I127-F130 WeakPolarHBondContact O-CB 3.36Å; I127-F130 PolarHBondContact O-N 2.95Å; I127-L131 HydrophobicContact CG2-CD1 4.43Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.41Å; I127-E150 HydrophobicContact CD1-CB 4.44Å; I127-W154 HydrophobicContact CD1-CB 4.01Å; I127-W154 HydrophobicContact CD1-CD2 4.41Å; I127-W154 HydrophobicContact CD1-CG 3.55Å; I127-W154 HydrophobicContact CG2-CB 4.41Å; I127-W154 HydrophobicContact CG2-CG 4.33Å; I127-I156 HydrophobicContact CB-CD1 4.27Å; I127-I156 HydrophobicContact CG1-CD1 4.2Å; I127-I156 HydrophobicContact CG2-CD1 3.45Å; I127-I156 VanDerWaalsContact CG2-CD1 3.45Å
128L90.9Very high90.8Very high2 Ų237.6 Ų37.61%0.0121%0.213CC..Hα-helixtrans-64.3-33.8175.3-175.958.2000112.1A43 Y74 L76 F124 F130 L131 R132A43-L128 HydrophobicContact CB-CD1 3.94Å; Y74-L128 HydrophobicContact CD1-CD2 3.16Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.78Å; L76-L128 HydrophobicContact CD2-CD1 3.62Å; F124-L128 HydrophobicContact CD1-CB 4.47Å; F124-L128 HydrophobicContact CE1-CB 4.21Å; F124-L128 HydrophobicContact CE1-CD2 4.08Å; F124-L128 WeakPolarHBondContact O-CB 3.35Å; F124-L128 PolarHBondContact O-N 3.5Å; L128-F130 VanDerWaalsContact C-N 3.34Å; L128-L131 PolarHBondContact O-N 3.45Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 WeakPolarHBondContact O-CD 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 2.93Å
129T89.2Confident90.6Very high64 Ų6434.1 Ų34.139%0.39319%0.194SC..Hα-helixtrans-65.3-39.8171.8-59.30000111.1G125 T126 I127 R132 A133G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 VanDerWaalsContact O-N 3.16Å; G125-T129 PolarHBondContact O-OG1 2.9Å; T126-T129 WeakPolarHBondContact O-CB 3.19Å; T126-T129 PolarHBondContact O-N 2.85Å; T126-T129 VanDerWaalsContact O-N 3.17Å; I127-T129 VanDerWaalsContact C-N 3.26Å; I127-T129 PolarHBondContact O-N 3.3Å; T129-R132 PolarHBondContact O-N 3.3Å; T129-A133 WeakPolarHBondContact O-CB 3.5Å; T129-A133 PolarHBondContact O-N 3.03Å
130F88.9Confident90Very high8 Ų840.2 Ų40.24%0.03522%0.217CC..Hα-helixtrans-60.8-49172.6167.3-106.9000111.9F84 T126 I127 L128 R132 A133 G134 K135 L136 I156 H160F84-F130 HydrophobicContact CD1-CE1 4.09Å; F84-F130 HydrophobicContact CD1-CZ 4.35Å; F84-F130 AromaticContact CE1-CE1 3.81Å; F84-F130 HydrophobicContact CE1-CE1 3.81Å; F84-F130 AromaticContact CE1-CZ 3.77Å; F84-F130 HydrophobicContact CE1-CZ 3.77Å; T126-F130 PolarHBondContact O-N 3.4Å; I127-F130 WeakPolarHBondContact O-CA 3.38Å; I127-F130 VanDerWaalsContact O-CB 3.29Å; I127-F130 WeakPolarHBondContact O-CB 3.36Å; I127-F130 PolarHBondContact O-N 2.95Å; L128-F130 VanDerWaalsContact C-N 3.34Å; F130-R132 PolarHBondContact O-N 2.72Å; F130-A133 PolarHBondContact O-N 3.21Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 2.93Å; F130-K135 WeakPolarHBondContact CA-O 3.3Å; F130-L136 HydrophobicContact CB-CB 4.01Å; F130-L136 HydrophobicContact CB-CD1 3.74Å; F130-L136 HydrophobicContact CB-CG 4.47Å; F130-L136 HydrophobicContact CD2-CB 3.75Å; F130-L136 HydrophobicContact CG-CB 4.05Å; F130-L136 HydrophobicContact CG-CD1 4.22Å; F130-I156 HydrophobicContact CD1-CD1 3.89Å; F130-I156 HydrophobicContact CD1-CG1 4.44Å; F130-I156 HydrophobicContact CD1-CG2 4.18Å; F130-I156 HydrophobicContact CE1-CD1 4.19Å; F130-I156 HydrophobicContact CE1-CG1 4.24Å; F130-I156 HydrophobicContact CE1-CG2 3.89Å; F130-I156 HydrophobicContact CZ-CG2 4.4Å; F130-H160 HydrophobicContact CD2-CB 4.37Å; F130-H160 HydrophobicContact CE2-CB 3.65Å; F130-H160 AromaticContact CE2-CD2 3.93Å; F130-H160 AromaticContact CE2-CG 3.84Å; F130-H160 HydrophobicContact CZ-CB 3.93Å; F130-H160 AromaticContact CZ-CD2 3.77Å; F130-H160 AromaticContact CZ-CG 3.68Å
131L85.1Confident89.7Confident5 Ų545.7 Ų45.73%0.02624%0.24CC..Hα-helixtrans-61.4-27.4177.4-62.1174.4000113.1T80 F84 L89 I127 L128T80-L131 HydrophobicContact CG2-CB 4.43Å; F84-L131 HydrophobicContact CB-CD2 3.96Å; F84-L131 HydrophobicContact CD1-CD2 4.06Å; F84-L131 HydrophobicContact CD2-CD2 3.49Å; F84-L131 VanDerWaalsContact CD2-CD2 3.49Å; F84-L131 HydrophobicContact CE1-CD2 4.45Å; F84-L131 HydrophobicContact CE2-CB 4.39Å; F84-L131 HydrophobicContact CE2-CD2 3.95Å; F84-L131 WeakPolarHBondContact CE2-O 3.15Å; F84-L131 HydrophobicContact CG-CD2 3.56Å; F84-L131 HydrophobicContact CZ-CD2 4.4Å; L89-L131 HydrophobicContact CD1-CD1 3.75Å; I127-L131 HydrophobicContact CG2-CD1 4.43Å; I127-L131 WeakPolarHBondContact O-CG 3.45Å; I127-L131 PolarHBondContact O-N 3.41Å; L128-L131 PolarHBondContact O-N 3.45Å
132R80.7Confident89.6Confident55 Ų5545.1 Ų45.121%0.20824%0.235CC..Hα-helixtrans-91.7-25.5180-72.7171.7-174.3172.90.4115.2F39 A43 L128 T129 F130F39-R132 CarbonylContact C-O 3.34Å; F39-R132 WeakPolarHBondContact CB-O 3.5Å; A43-R132 HydrophobicContact CB-CG 3.97Å; A43-R132 PolarHBondContact O-NE 3.37Å; A43-R132 VanDerWaalsContact O-NE 3.12Å; A43-R132 PolarHBondContact O-NH2 2.91Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 WeakPolarHBondContact O-CD 3.44Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 2.93Å; T129-R132 PolarHBondContact O-N 3.3Å; F130-R132 PolarHBondContact O-N 2.72Å
133A79.9Confident89.6Confident24 Ų2447.1 Ų47.120%0.19824%0.242CC..Hα-helixtrans-130.7-5.3-169.300000112.9T129 F130 K135T129-A133 WeakPolarHBondContact O-CB 3.5Å; T129-A133 PolarHBondContact O-N 3.03Å; F130-A133 PolarHBondContact O-N 3.21Å; A133-K135 HydrophobicContact CB-CB 4.47Å; A133-K135 PolarHBondContact O-N 2.9Å
134G81.3Confident89.6Confident44 Ų4447.6 Ų47.645%0.45425%0.246SC..SBendtrans65.616.1-171.200000113.3F130F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 2.93Å
135K84.2Confident89.5Confident74 Ų7449.6 Ų49.632%0.32226%0.256SS..  trans-118.7108.5-175-68-170.5177.7-164.50111.2A34 F130 A133A34-K135 HydrophobicContact CB-CG 4.5Å; F130-K135 WeakPolarHBondContact CA-O 3.3Å; A133-K135 HydrophobicContact CB-CB 4.47Å; A133-K135 PolarHBondContact O-N 2.9Å
136L91.9Very high89.7Confident0 Ų050.2 Ų50.20%026%0.256CS..BIsolated β-bridgetrans-96.1127173.3-169.466.7000109.5T126 F130 F147 L151 I156 H160 L161 D162T126-L136 HydrophobicContact CG2-CD1 4.41Å; F130-L136 HydrophobicContact CB-CB 4.01Å; F130-L136 HydrophobicContact CB-CD1 3.74Å; F130-L136 HydrophobicContact CB-CG 4.47Å; F130-L136 HydrophobicContact CD2-CB 3.75Å; F130-L136 HydrophobicContact CG-CB 4.05Å; F130-L136 HydrophobicContact CG-CD1 4.22Å; L136-F147 HydrophobicContact CD1-CZ 4.34Å; L136-L151 HydrophobicContact CD1-CD2 4.2Å; L136-L151 HydrophobicContact CD2-CD1 4.4Å; L136-L151 HydrophobicContact CD2-CD2 3.81Å; L136-I156 HydrophobicContact CD2-CG2 3.86Å; L136-H160 HydrophobicContact CB-CB 4.35Å; L136-H160 WeakPolarHBondContact CB-O 3.37Å; L136-H160 HydrophobicContact CD2-CB 4.07Å; L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 HydrophobicContact CD2-CD2 3.97Å; L136-L161 HydrophobicContact CD2-CG 3.97Å; L136-L161 HydrophobicContact CG-CD2 3.82Å; L136-L161 HydrophobicContact CG-CG 4.34Å; L136-D162 PolarHBondContact O-N 3.32Å
137R92.9Very high89.8Confident115 Ų11549.2 Ų49.243%0.43425%0.251SS..  trans-118.5157.6176.7-59.1-69.6-72.2-170.12.1108.3T126 F147 D162 C164 C165T126-R137 HydrophobicContact CG2-CB 4.37Å; T126-R137 WeakPolarHBondContact CG2-O 3.4Å; R137-F147 WeakPolarHBondContact O-CZ 3.4Å; R137-D162 WeakPolarHBondContact CD-OD2 3.47Å; R137-D162 IonicContact CZ-OD2 3.04Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 IonicContact NH1-OD2 2.93Å; R137-D162 PolarHBondContact NH1-OD2 2.94Å; R137-C164 PolarHBondContact NH1-SG 3.32Å; R137-C164 VanDerWaalsContact NH1-SG 3.38Å; R137-C164 PolarHBondContact NH2-SG 3.09Å; R137-C165 PolarHBondContact NE-SG 2.8Å; R137-C165 VanDerWaalsContact NE-SG 3.42Å
138L93.4Very high90Very high19 Ų1951.8 Ų51.810%0.09926%0.263CS..  trans-80.6129.7171.1179.661.6000109.5R140 F147 C165 R168 Y169L138-R140 PolarHBondContact O-N 3.46Å; L138-F147 HydrophobicContact CD1-CB 4.18Å; L138-F147 HydrophobicContact CD1-CD1 3.41Å; L138-F147 VanDerWaalsContact CD1-CD1 3.41Å; L138-F147 HydrophobicContact CD1-CE1 3.9Å; L138-F147 HydrophobicContact CD1-CG 3.84Å; L138-C165 HydrophobicContact CB-CB 3.9Å; L138-C165 PolarHBondContact N-SG 3.16Å; L138-C165 VanDerWaalsContact N-SG 3.4Å; L138-R168 HydrophobicContact CD2-CB 4.43Å; L138-R168 HydrophobicContact CD2-CG 4.4Å; L138-R168 VanDerWaalsContact CD2-NH2 3.29Å; L138-Y169 HydrophobicContact CD1-CD2 4.2Å
139L92.3Very high90.3Very high45 Ų4557 Ų5724%0.23629%0.287CS..  trans-70.9120.5175.2-178.360.1000109.9E141 M142 F147L139-E141 PolarHBondContact O-N 3.43Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CD2-CB 3.82Å; L139-M142 HydrophobicContact CD2-CE 4.39Å; L139-M142 HydrophobicContact CD2-SD 4.18Å; L139-M142 HydrophobicContact CG-CB 3.98Å; L139-M142 PolarHBondContact O-N 3.22Å; L139-F147 HydrophobicContact CB-CD2 4.42Å; L139-F147 HydrophobicContact CB-CE2 4.45Å
140R85.5Confident90.7Very high200 Ų20054.2 Ų54.276%0.75527%0.269SS*.THydrogen-bonded Turntrans-68.4-32.9-168.7-165.5175.379.9173.14.8114.4L138 M142L138-R140 PolarHBondContact O-N 3.46Å; R140-M142 VanDerWaalsContact C-N 3.33Å
141E88.4Confident91Very high180 Ų18054 Ų5484%0.84127%0.269SS*.THydrogen-bonded Turntrans-90.31.1-175-63.7176.1-175.900112.9L139L139-E141 PolarHBondContact O-N 3.43Å
142M92.8Very high91.6Very high28 Ų2859.9 Ų59.914%0.13830%0.299CS..SBendtrans-108.8142-178.6175.3170.8-87.500110.9N120 A123 L139 R140 F147N120-M142 HydrophobicContact CB-CE 4.07Å; N120-M142 VanDerWaalsContact CG-CE 3.44Å; N120-M142 WeakPolarHBondContact ND2-CE 3.27Å; A123-M142 HydrophobicContact CB-CE 3.81Å; A123-M142 HydrophobicContact CB-SD 3.84Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CD2-CB 3.82Å; L139-M142 HydrophobicContact CD2-CE 4.39Å; L139-M142 HydrophobicContact CD2-SD 4.18Å; L139-M142 HydrophobicContact CG-CB 3.98Å; L139-M142 PolarHBondContact O-N 3.22Å; R140-M142 VanDerWaalsContact C-N 3.33Å; M142-F147 HydrophobicContact CG-CB 4.14Å; M142-F147 HydrophobicContact SD-CB 3.91Å; M142-F147 HydrophobicContact SD-CD2 3.87Å; M142-F147 HydrophobicContact SD-CG 4.4Å
143C94Very high92.4Very high79 Ų7959.1 Ų59.153%0.53430%0.297SS..  trans-59.6142171.6179.20000110.9L145 S146 F147C143-L145 VanDerWaalsContact C-N 3.31Å; C143-L145 PolarHBondContact O-N 2.75Å; C143-S146 PolarHBondContact O-N 3.07Å; C143-F147 PolarHBondContact O-N 2.81Å
144A94.9Very high93.2Very high10 Ų1058 Ų588%0.08329%0.288CS..Hα-helixtrans-61-38.6-179.600000112.7F147 Q148 Y169 K172 I173A144-F147 PolarHBondContact O-N 3.06Å; A144-Q148 PolarHBondContact O-N 3.39Å; A144-Y169 HydrophobicContact CB-CD2 4.18Å; A144-Y169 HydrophobicContact CB-CE2 4.44Å; A144-Y169 WeakPolarHBondContact O-CE2 3.47Å; A144-K172 HydrophobicContact CB-CB 3.52Å; A144-K172 HydrophobicContact CB-CG 4.38Å; A144-I173 HydrophobicContact CB-CD1 4.17Å
145L94.7Very high93.9Very high42 Ų4257.8 Ų57.822%0.2229%0.285CS..Hα-helixtrans-65.1-47.6176.5-60.4171.7000111.8C143 F147 Q148 E149 I173 F176C143-L145 VanDerWaalsContact C-N 3.31Å; C143-L145 PolarHBondContact O-N 2.75Å; L145-F147 PolarHBondContact O-N 3.01Å; L145-Q148 WeakPolarHBondContact O-CA 3.31Å; L145-Q148 VanDerWaalsContact O-CB 3.23Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 2.95Å; L145-E149 PolarHBondContact O-N 3.13Å; L145-I173 HydrophobicContact CD2-CD1 3.71Å; L145-F176 HydrophobicContact CD1-CB 4.48Å; L145-F176 HydrophobicContact CD1-CD1 3.64Å; L145-F176 HydrophobicContact CD1-CD2 3.63Å; L145-F176 HydrophobicContact CD1-CE1 3.61Å; L145-F176 HydrophobicContact CD1-CE2 3.61Å; L145-F176 HydrophobicContact CD1-CG 3.63Å; L145-F176 HydrophobicContact CD1-CZ 3.6Å; L145-F176 HydrophobicContact CD2-CD1 3.68Å; L145-F176 HydrophobicContact CD2-CE1 4.1Å; L145-F176 HydrophobicContact CD2-CG 4.13Å; L145-F176 HydrophobicContact CG-CD1 4.22Å; L145-F176 HydrophobicContact CG-CG 4.29Å
146S96.4Very high94.4Very high39 Ų3954.7 Ų54.727%0.27327%0.272SS..Hα-helixtrans-60.7-36.8175.6179.20000111.5C143 E149 E150C143-S146 PolarHBondContact O-N 3.07Å; S146-E149 PolarHBondContact O-N 3.16Å; S146-E150 WeakPolarHBondContact O-CG 3.44Å; S146-E150 PolarHBondContact O-N 2.8Å; S146-E150 VanDerWaalsContact O-N 3.16Å
147F96.3Very high94.5Very high0 Ų057.1 Ų57.10%029%0.292CS..Hα-helixtrans-68.3-36.2173.7-169.7-110.1000112.4T126 L136 R137 L138 L139 M142 C143 A144 L145 E150 L151 L161 Y169T126-F147 HydrophobicContact CG2-CZ 4.47Å; L136-F147 HydrophobicContact CD1-CZ 4.34Å; R137-F147 WeakPolarHBondContact O-CZ 3.4Å; L138-F147 HydrophobicContact CD1-CB 4.18Å; L138-F147 HydrophobicContact CD1-CD1 3.41Å; L138-F147 VanDerWaalsContact CD1-CD1 3.41Å; L138-F147 HydrophobicContact CD1-CE1 3.9Å; L138-F147 HydrophobicContact CD1-CG 3.84Å; L139-F147 HydrophobicContact CB-CD2 4.42Å; L139-F147 HydrophobicContact CB-CE2 4.45Å; M142-F147 HydrophobicContact CG-CB 4.14Å; M142-F147 HydrophobicContact SD-CB 3.91Å; M142-F147 HydrophobicContact SD-CD2 3.87Å; M142-F147 HydrophobicContact SD-CG 4.4Å; C143-F147 PolarHBondContact O-N 2.81Å; A144-F147 PolarHBondContact O-N 3.06Å; L145-F147 PolarHBondContact O-N 3.01Å; F147-E150 PolarHBondContact O-N 2.9Å; F147-L151 HydrophobicContact CD1-CD1 4.02Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.72Å; F147-L151 HydrophobicContact CE1-CD2 4.01Å; F147-L151 HydrophobicContact CE1-CG 3.88Å; F147-L151 HydrophobicContact CZ-CD1 4.47Å; F147-L151 HydrophobicContact CZ-CD2 3.93Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.38Å; F147-L161 HydrophobicContact CE1-CD2 4.12Å; F147-Y169 HydrophobicContact CD1-CD2 4.42Å; F147-Y169 HydrophobicContact CD1-CE2 4.46Å
148Q96.3Very high94.4Very high55 Ų5554.8 Ų54.826%0.25729%0.286SS..Hα-helixtrans-59.7-47.7173.3-175.3173.749.600111.4A144 L145 E150 L151 L152 Y169A144-Q148 PolarHBondContact O-N 3.39Å; L145-Q148 WeakPolarHBondContact O-CA 3.31Å; L145-Q148 VanDerWaalsContact O-CB 3.23Å; L145-Q148 WeakPolarHBondContact O-CB 3.41Å; L145-Q148 PolarHBondContact O-N 2.95Å; Q148-E150 VanDerWaalsContact C-N 3.26Å; Q148-E150 PolarHBondContact O-N 3.11Å; Q148-L151 PolarHBondContact O-N 3.32Å; Q148-L151 VanDerWaalsContact O-N 3.13Å; Q148-L152 HydrophobicContact CG-CD1 4.11Å; Q148-L152 HydrophobicContact CG-CG 4.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.09Å; Q148-L152 PolarHBondContact O-N 2.85Å; Q148-Y169 HydrophobicContact CB-CE2 4.16Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q148-Y169 VanDerWaalsContact CD-OH 3.25Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y169 PolarHBondContact NE2-OH 3.39Å; Q148-Y169 VanDerWaalsContact NE2-OH 3.1Å
149E97.1Very high94.3Very high111 Ų11159.2 Ų59.252%0.51931%0.31SS..Hα-helixtrans-57.7-41.4176.9-69.5171.4-172.100111.6L145 S146 L152 Y153L145-E149 PolarHBondContact O-N 3.13Å; S146-E149 PolarHBondContact O-N 3.16Å; E149-L152 PolarHBondContact O-N 3.15Å; E149-Y153 VanDerWaalsContact O-CB 3.3Å; E149-Y153 WeakPolarHBondContact O-CB 3.45Å; E149-Y153 PolarHBondContact O-N 2.87Å
150E97.6Very high94.2Very high5 Ų561.7 Ų61.72%0.02332%0.32CS..Hα-helixtrans-63.6-49.4174.1-69.3-69.314000110.9R119 A123 I127 S146 F147 Q148 L152 Y153 W154R119-E150 IonicContact CZ-OE1 2.65Å; R119-E150 VanDerWaalsContact CZ-OE1 3.27Å; R119-E150 IonicContact NE-OE1 3.81Å; R119-E150 PolarHBondContact NE-OE1 2.79Å; R119-E150 IonicContact NH2-OE1 3.76Å; R119-E150 PolarHBondContact NH2-OE1 2.88Å; A123-E150 HydrophobicContact CB-CB 3.93Å; A123-E150 HydrophobicContact CB-CG 3.55Å; I127-E150 HydrophobicContact CD1-CB 4.44Å; S146-E150 WeakPolarHBondContact O-CG 3.44Å; S146-E150 PolarHBondContact O-N 2.8Å; S146-E150 VanDerWaalsContact O-N 3.16Å; F147-E150 PolarHBondContact O-N 2.9Å; Q148-E150 VanDerWaalsContact C-N 3.26Å; Q148-E150 PolarHBondContact O-N 3.11Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.08Å; E150-Y153 PolarHBondContact O-N 3.09Å; E150-Y153 VanDerWaalsContact O-N 3.14Å; E150-W154 PolarHBondContact O-N 3.06Å; E150-W154 PolarHBondContact OE2-NE1 3.49Å
151L96Very high94.5Very high4 Ų452.6 Ų52.62%0.02129%0.286CS..Hα-helixtrans-55.6-43.7177.2-70.1-173.5000112.4L136 F147 Q148 W154 G155 I156 E158L136-L151 HydrophobicContact CD1-CD2 4.2Å; L136-L151 HydrophobicContact CD2-CD1 4.4Å; L136-L151 HydrophobicContact CD2-CD2 3.81Å; F147-L151 HydrophobicContact CD1-CD1 4.02Å; F147-L151 HydrophobicContact CD1-CG 4.15Å; F147-L151 HydrophobicContact CE1-CD1 3.72Å; F147-L151 HydrophobicContact CE1-CD2 4.01Å; F147-L151 HydrophobicContact CE1-CG 3.88Å; F147-L151 HydrophobicContact CZ-CD1 4.47Å; F147-L151 HydrophobicContact CZ-CD2 3.93Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.31Å; F147-L151 PolarHBondContact O-N 3.38Å; Q148-L151 PolarHBondContact O-N 3.32Å; Q148-L151 VanDerWaalsContact O-N 3.13Å; L151-W154 PolarHBondContact O-N 3.4Å; L151-G155 PolarHBondContact O-N 2.91Å; L151-I156 WeakPolarHBondContact CB-O 3.43Å; L151-I156 HydrophobicContact CD2-CB 4.23Å; L151-I156 HydrophobicContact CD2-CG2 4.15Å; L151-I156 PolarHBondContact O-N 3.29Å; L151-E158 HydrophobicContact CD1-CB 4.29Å
152L97.3Very high94.6Very high129 Ų12945.6 Ų45.668%0.67525%0.254SS*.Hα-helixtrans-62.6-48.4175.3-70.5171.9000111.5Q148 E149 E150 W154 G155Q148-L152 HydrophobicContact CG-CD1 4.11Å; Q148-L152 HydrophobicContact CG-CG 4.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.09Å; Q148-L152 PolarHBondContact O-N 2.85Å; E149-L152 PolarHBondContact O-N 3.15Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.08Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.36Å; L152-G155 PolarHBondContact O-N 2.86Å; L152-G155 VanDerWaalsContact O-N 3.09Å
153Y97.9Very high94.5Very high38 Ų3846.6 Ų46.615%0.14927%0.272CS..Hα-helixtrans-56.9-45.7178.7177.9-91.3000111.8R88 F117 R119 E149 E150 G155R88-Y153 VanDerWaalsContact CD-CE1 3.42Å; R88-Y153 WeakPolarHBondContact CD-O 3.33Å; R88-Y153 PolarHBondContact NE-O 3.33Å; F117-Y153 HydrophobicContact CD1-CE1 4.17Å; F117-Y153 WeakPolarHBondContact CD1-OH 3.48Å; R119-Y153 HydrophobicContact CG-CD1 3.93Å; R119-Y153 HydrophobicContact CG-CE1 3.45Å; R119-Y153 VanDerWaalsContact CG-CE1 3.45Å; R119-Y153 HydrophobicContact CG-CE2 4.23Å; R119-Y153 HydrophobicContact CG-CG 4.5Å; E149-Y153 VanDerWaalsContact O-CB 3.3Å; E149-Y153 WeakPolarHBondContact O-CB 3.45Å; E149-Y153 PolarHBondContact O-N 2.87Å; E150-Y153 PolarHBondContact O-N 3.09Å; E150-Y153 VanDerWaalsContact O-N 3.14Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.14Å
154W97Very high94.4Very high2 Ų246.5 Ų46.51%0.00827%0.271CS..Hα-helixtrans-80.2-5.3-178.5-64.6105.2000113.4V69 T87 R88 L89 F117 R119 F124 I127 E150 L151 L152 I156V69-W154 HydrophobicContact CG1-CZ2 4.09Å; V69-W154 HydrophobicContact CG2-CH2 3.9Å; V69-W154 HydrophobicContact CG2-CZ2 4.18Å; T87-W154 WeakPolarHBondContact CA-O 3.47Å; T87-W154 WeakPolarHBondContact CB-O 3.48Å; R88-W154 HydrophobicContact CB-CE3 4.47Å; R88-W154 PolarHBondContact N-O 3.09Å; L89-W154 HydrophobicContact CD1-CZ3 4.43Å; L89-W154 HydrophobicContact CD2-CE3 4.37Å; L89-W154 HydrophobicContact CD2-CZ3 3.71Å; L89-W154 HydrophobicContact CG-CE3 4.05Å; L89-W154 HydrophobicContact CG-CZ3 3.87Å; F117-W154 HydrophobicContact CB-CH2 3.89Å; F117-W154 HydrophobicContact CB-CZ2 4.46Å; F117-W154 AromaticContact CD1-CH2 3.75Å; F117-W154 HydrophobicContact CD1-CH2 3.75Å; F117-W154 AromaticContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD1-CZ3 3.93Å; F117-W154 HydrophobicContact CD2-CH2 4.13Å; F117-W154 HydrophobicContact CE1-CH2 4.3Å; F117-W154 HydrophobicContact CE1-CZ3 4.03Å; F117-W154 AromaticContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CH2 3.65Å; F117-W154 HydrophobicContact CG-CZ3 4.19Å; F117-W154 HydrophobicContact CZ-CZ3 4.39Å; R119-W154 HydrophobicContact CB-CZ2 4.05Å; R119-W154 HydrophobicContact CG-CZ2 4.17Å; F124-W154 HydrophobicContact CB-CZ2 4.47Å; F124-W154 HydrophobicContact CD2-CD2 4.13Å; F124-W154 AromaticContact CD2-CE2 3.65Å; F124-W154 HydrophobicContact CD2-CE3 4.33Å; F124-W154 AromaticContact CD2-CH2 3.64Å; F124-W154 HydrophobicContact CD2-CH2 3.64Å; F124-W154 AromaticContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ2 3.39Å; F124-W154 HydrophobicContact CD2-CZ3 4.11Å; F124-W154 HydrophobicContact CE2-CD2 4.37Å; F124-W154 HydrophobicContact CE2-CE3 4.13Å; F124-W154 AromaticContact CE2-CH2 3.66Å; F124-W154 HydrophobicContact CE2-CH2 3.66Å; F124-W154 AromaticContact CE2-CZ2 3.92Å; F124-W154 HydrophobicContact CE2-CZ2 3.92Å; F124-W154 AromaticContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CE2-CZ3 3.78Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å; I127-W154 HydrophobicContact CD1-CB 4.01Å; I127-W154 HydrophobicContact CD1-CD2 4.41Å; I127-W154 HydrophobicContact CD1-CG 3.55Å; I127-W154 HydrophobicContact CG2-CB 4.41Å; I127-W154 HydrophobicContact CG2-CG 4.33Å; E150-W154 PolarHBondContact O-N 3.06Å; E150-W154 PolarHBondContact OE2-NE1 3.49Å; L151-W154 PolarHBondContact O-N 3.4Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.36Å; W154-I156 HydrophobicContact CB-CD1 4.1Å; W154-I156 HydrophobicContact CB-CG1 4.36Å
155G95.8Very high94.4Very high38 Ų3846.5 Ų46.539%0.39227%0.27SS..THydrogen-bonded Turntrans69.938179.300000112.9L151 L152 Y153L151-G155 PolarHBondContact O-N 2.91Å; L152-G155 PolarHBondContact O-N 2.86Å; L152-G155 VanDerWaalsContact O-N 3.09Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.14Å
156I94.7Very high94.4Very high9 Ų947.2 Ų47.25%0.04627%0.272CS..  trans-113.2118.2-178.7-63.1170.3000108.9T87 I127 F130 L136 L151 W154T87-I156 HydrophobicContact CG2-CG1 3.96Å; I127-I156 HydrophobicContact CB-CD1 4.27Å; I127-I156 HydrophobicContact CG1-CD1 4.2Å; I127-I156 HydrophobicContact CG2-CD1 3.45Å; I127-I156 VanDerWaalsContact CG2-CD1 3.45Å; F130-I156 HydrophobicContact CD1-CD1 3.89Å; F130-I156 HydrophobicContact CD1-CG1 4.44Å; F130-I156 HydrophobicContact CD1-CG2 4.18Å; F130-I156 HydrophobicContact CE1-CD1 4.19Å; F130-I156 HydrophobicContact CE1-CG1 4.24Å; F130-I156 HydrophobicContact CE1-CG2 3.89Å; F130-I156 HydrophobicContact CZ-CG2 4.4Å; L136-I156 HydrophobicContact CD2-CG2 3.86Å; L151-I156 WeakPolarHBondContact CB-O 3.43Å; L151-I156 HydrophobicContact CD2-CB 4.23Å; L151-I156 HydrophobicContact CD2-CG2 4.15Å; L151-I156 PolarHBondContact O-N 3.29Å; W154-I156 HydrophobicContact CB-CD1 4.1Å; W154-I156 HydrophobicContact CB-CG1 4.36Å
157A92.3Very high94.3Very high51 Ų5154.6 Ų54.642%0.42129%0.294SS..  trans-66.3138.2175.900000111.3D159 H160A157-D159 PolarHBondContact O-N 3.47Å; A157-D159 VanDerWaalsContact O-N 3.16Å; A157-H160 WeakPolarHBondContact O-CB 3.42Å; A157-H160 PolarHBondContact O-N 2.93Å; A157-H160 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-ND1 3.35Å
158E92.1Very high94.2Very high66 Ų6659.3 Ų59.331%0.30831%0.311SS..G310 helixtrans-59.5-2117558.4-176.5-129.100113.7L151 H160 L161 Y169L151-E158 HydrophobicContact CD1-CB 4.29Å; E158-H160 PolarHBondContact O-N 3.47Å; E158-H160 VanDerWaalsContact O-N 3.11Å; E158-L161 HydrophobicContact CB-CD1 4.28Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 WeakPolarHBondContact O-CD1 3.45Å; E158-L161 WeakPolarHBondContact O-CG 3.47Å; E158-L161 PolarHBondContact O-N 2.87Å; E158-Y169 HydrophobicContact CB-CE1 4.05Å; E158-Y169 WeakPolarHBondContact OE2-CE1 2.98Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å
159D90.5Very high94.2Very high113 Ų11356.7 Ų56.760%0.60430%0.299SS*.G310 helixtrans-59.4-21173.9-77.2-24.9000113.9A157 L161 K166A157-D159 PolarHBondContact O-N 3.47Å; A157-D159 VanDerWaalsContact O-N 3.16Å; D159-L161 PolarHBondContact O-N 3Å; D159-K166 IonicContact OD1-NZ 3.88Å; D159-K166 PolarHBondContact OD1-NZ 3.13Å
160H90.4Very high94.1Very high97 Ų9754.8 Ų54.845%0.44929%0.292SS..G310 helixtrans-75-9.4175-61.5105.6000113.5F130 L136 A157 E158 D162F130-H160 HydrophobicContact CD2-CB 4.37Å; F130-H160 HydrophobicContact CE2-CB 3.65Å; F130-H160 AromaticContact CE2-CD2 3.93Å; F130-H160 AromaticContact CE2-CG 3.84Å; F130-H160 HydrophobicContact CZ-CB 3.93Å; F130-H160 AromaticContact CZ-CD2 3.77Å; F130-H160 AromaticContact CZ-CG 3.68Å; L136-H160 HydrophobicContact CB-CB 4.35Å; L136-H160 WeakPolarHBondContact CB-O 3.37Å; L136-H160 HydrophobicContact CD2-CB 4.07Å; A157-H160 WeakPolarHBondContact O-CB 3.42Å; A157-H160 PolarHBondContact O-N 2.93Å; A157-H160 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-ND1 3.35Å; E158-H160 PolarHBondContact O-N 3.47Å; E158-H160 VanDerWaalsContact O-N 3.11Å; H160-D162 PolarHBondContact O-N 2.95Å
161L92.7Very high94Very high9 Ų959.2 Ų59.25%0.04731%0.313CS..BIsolated β-bridgetrans-63.3133.4176.4-75.9165.6000111.3L136 F147 E158 D159 C165 K166 Y169L136-L161 HydrophobicContact CB-CD2 4.45Å; L136-L161 HydrophobicContact CD2-CD2 3.97Å; L136-L161 HydrophobicContact CD2-CG 3.97Å; L136-L161 HydrophobicContact CG-CD2 3.82Å; L136-L161 HydrophobicContact CG-CG 4.34Å; F147-L161 HydrophobicContact CE1-CD2 4.12Å; E158-L161 HydrophobicContact CB-CD1 4.28Å; E158-L161 WeakPolarHBondContact O-CB 3.39Å; E158-L161 WeakPolarHBondContact O-CD1 3.45Å; E158-L161 WeakPolarHBondContact O-CG 3.47Å; E158-L161 PolarHBondContact O-N 2.87Å; D159-L161 PolarHBondContact O-N 3Å; L161-C165 HydrophobicContact CD2-CB 4.12Å; L161-K166 HydrophobicContact CB-CB 3.74Å; L161-K166 HydrophobicContact CB-CG 4.27Å; L161-Y169 HydrophobicContact CD1-CD1 3.81Å; L161-Y169 HydrophobicContact CD1-CD2 4.45Å; L161-Y169 HydrophobicContact CD1-CE1 4.46Å; L161-Y169 HydrophobicContact CD1-CG 3.8Å
162D90.8Very high94Very high32 Ų3264 Ų6417%0.17133%0.334CS..  trans-54.6142.5168.6-93.7-24.9000110.7L136 R137 H160 C164 C165 K166L136-D162 PolarHBondContact O-N 3.32Å; R137-D162 WeakPolarHBondContact CD-OD2 3.47Å; R137-D162 IonicContact CZ-OD2 3.04Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 IonicContact NH1-OD2 2.93Å; R137-D162 PolarHBondContact NH1-OD2 2.94Å; H160-D162 PolarHBondContact O-N 2.95Å; D162-C164 VanDerWaalsContact C-N 3.32Å; D162-C164 PolarHBondContact O-N 3.32Å; D162-C165 CarbonylContact O-C 3.52Å; D162-C165 WeakPolarHBondContact O-CA 3.32Å; D162-C165 WeakPolarHBondContact O-CB 3.48Å; D162-C165 PolarHBondContact O-N 3.32Å; D162-K166 PolarHBondContact O-N 3.29Å
163G90.2Very high93.9Very high49 Ų4959.5 Ų59.551%0.50531%0.31SS..Hα-helixtrans-50.9-41-17000000116R167G163-R167 WeakPolarHBondContact O-CB 3.46Å; G163-R167 PolarHBondContact O-N 3.38Å
164C91.9Very high93.9Very high77 Ų7763.6 Ų63.652%0.5233%0.33SS..Hα-helixtrans-67.6-35.617666.20000112.8R137 D162 R168R137-C164 PolarHBondContact NH1-SG 3.32Å; R137-C164 VanDerWaalsContact NH1-SG 3.38Å; R137-C164 PolarHBondContact NH2-SG 3.09Å; D162-C164 VanDerWaalsContact C-N 3.32Å; D162-C164 PolarHBondContact O-N 3.32Å; C164-R168 PolarHBondContact O-N 3.44Å
165C93.8Very high93.8Very high10 Ų1066.6 Ų66.67%0.06834%0.344CS..Hα-helixtrans-74.8-40.9177.3-68.50000110.9R137 L138 L161 D162 R168 Y169R137-C165 PolarHBondContact NE-SG 2.8Å; R137-C165 VanDerWaalsContact NE-SG 3.42Å; L138-C165 HydrophobicContact CB-CB 3.9Å; L138-C165 PolarHBondContact N-SG 3.16Å; L138-C165 VanDerWaalsContact N-SG 3.4Å; L161-C165 HydrophobicContact CD2-CB 4.12Å; D162-C165 CarbonylContact O-C 3.52Å; D162-C165 WeakPolarHBondContact O-CA 3.32Å; D162-C165 WeakPolarHBondContact O-CB 3.48Å; D162-C165 PolarHBondContact O-N 3.32Å; C165-R168 PolarHBondContact O-N 3.09Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 2.82Å
166K94.8Very high93.7Very high58 Ų5868.9 Ų68.925%0.25234%0.344SS..Hα-helixtrans-60-48.7176.3-167.5176.7-1731800111.3D159 L161 D162 R168 Y169 L170D159-K166 IonicContact OD1-NZ 3.88Å; D159-K166 PolarHBondContact OD1-NZ 3.13Å; L161-K166 HydrophobicContact CB-CB 3.74Å; L161-K166 HydrophobicContact CB-CG 4.27Å; D162-K166 PolarHBondContact O-N 3.29Å; K166-R168 PolarHBondContact O-N 2.72Å; K166-Y169 WeakPolarHBondContact O-CB 3.46Å; K166-Y169 PolarHBondContact O-N 2.99Å; K166-L170 HydrophobicContact CG-CD1 4.03Å; K166-L170 HydrophobicContact CG-CG 4.37Å; K166-L170 WeakPolarHBondContact O-CG 3.14Å; K166-L170 PolarHBondContact O-N 2.92Å
167R95.3Very high93.8Very high194 Ų19470.4 Ų70.473%0.73236%0.358SS*.Hα-helixtrans-56.8-50.2176.8-173.7-174.2-58.9169.90.1111.7G163 Y169 L170 Q171G163-R167 WeakPolarHBondContact O-CB 3.46Å; G163-R167 PolarHBondContact O-N 3.38Å; R167-Y169 VanDerWaalsContact C-N 3.3Å; R167-Y169 PolarHBondContact O-N 3.37Å; R167-L170 PolarHBondContact O-N 2.72Å; R167-Q171 WeakPolarHBondContact O-CB 3.48Å; R167-Q171 PolarHBondContact O-N 2.93Å
168R94.4Very high94Very high98 Ų9871.5 Ų71.537%0.3735%0.354SS..Hα-helixtrans-64.8-36.3-179.4-167.9177.474.6144.17.4112.4L138 C164 C165 K166 K172L138-R168 HydrophobicContact CD2-CB 4.43Å; L138-R168 HydrophobicContact CD2-CG 4.4Å; L138-R168 VanDerWaalsContact CD2-NH2 3.29Å; C164-R168 PolarHBondContact O-N 3.44Å; C165-R168 PolarHBondContact O-N 3.09Å; K166-R168 PolarHBondContact O-N 2.72Å; R168-K172 WeakPolarHBondContact O-CG 3.42Å; R168-K172 PolarHBondContact O-N 2.84Å
169Y95.7Very high94.1Very high1 Ų173.1 Ų73.10%0.00436%0.363CS..Hα-helixtrans-64-55.8175.9170.9-100.1000110.7L138 A144 F147 Q148 E158 L161 C165 K166 R167 Q171 K172 I173L138-Y169 HydrophobicContact CD1-CD2 4.2Å; A144-Y169 HydrophobicContact CB-CD2 4.18Å; A144-Y169 HydrophobicContact CB-CE2 4.44Å; A144-Y169 WeakPolarHBondContact O-CE2 3.47Å; F147-Y169 HydrophobicContact CD1-CD2 4.42Å; F147-Y169 HydrophobicContact CD1-CE2 4.46Å; Q148-Y169 HydrophobicContact CB-CE2 4.16Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.34Å; Q148-Y169 VanDerWaalsContact CD-OH 3.25Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.44Å; Q148-Y169 PolarHBondContact NE2-OH 3.39Å; Q148-Y169 VanDerWaalsContact NE2-OH 3.1Å; E158-Y169 HydrophobicContact CB-CE1 4.05Å; E158-Y169 WeakPolarHBondContact OE2-CE1 2.98Å; E158-Y169 PolarHBondContact OE2-OH 2.89Å; L161-Y169 HydrophobicContact CD1-CD1 3.81Å; L161-Y169 HydrophobicContact CD1-CD2 4.45Å; L161-Y169 HydrophobicContact CD1-CE1 4.46Å; L161-Y169 HydrophobicContact CD1-CG 3.8Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 2.82Å; K166-Y169 WeakPolarHBondContact O-CB 3.46Å; K166-Y169 PolarHBondContact O-N 2.99Å; R167-Y169 VanDerWaalsContact C-N 3.3Å; R167-Y169 PolarHBondContact O-N 3.37Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.87Å; Y169-K172 WeakPolarHBondContact O-CB 3.36Å; Y169-K172 PolarHBondContact O-N 3.44Å; Y169-I173 HydrophobicContact CD1-CG1 4.38Å; Y169-I173 HydrophobicContact CD2-CG1 4.42Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 3.97Å; Y169-I173 HydrophobicContact CE2-CG1 4.01Å; Y169-I173 WeakPolarHBondContact O-CG1 3.46Å; Y169-I173 PolarHBondContact O-N 3.44Å
170L95.4Very high94.2Very high70 Ų7069.7 Ų69.737%0.36635%0.346SS..Hα-helixtrans-59-43.2-179.6-69.5175.3000112.1K166 R167 K172 I173 E174K166-L170 HydrophobicContact CG-CD1 4.03Å; K166-L170 HydrophobicContact CG-CG 4.37Å; K166-L170 WeakPolarHBondContact O-CG 3.14Å; K166-L170 PolarHBondContact O-N 2.92Å; R167-L170 PolarHBondContact O-N 2.72Å; L170-K172 PolarHBondContact O-N 2.82Å; L170-I173 PolarHBondContact O-N 2.73Å; L170-I173 VanDerWaalsContact O-N 3.09Å; L170-E174 WeakPolarHBondContact O-CB 3.2Å; L170-E174 PolarHBondContact O-N 2.9Å
171Q95.9Very high94.5Very high99 Ų9970.7 Ų70.746%0.46335%0.351SS..Hα-helixtrans-54.8-42.6174.8-177.4-177.8-5.400111.7R167 Y169 E175R167-Q171 WeakPolarHBondContact O-CB 3.48Å; R167-Q171 PolarHBondContact O-N 2.93Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 2.87Å; Q171-E175 HydrophobicContact CG-CG 4.47Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE1 3.45Å; Q171-E175 WeakPolarHBondContact O-CB 3.46Å; Q171-E175 VanDerWaalsContact O-CG 3.22Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.38Å
172K95.4Very high94.5Very high104 Ų10476.7 Ų76.745%0.45237%0.373SS..Hα-helixtrans-71.5-31.5179.5-74.2-74.7164.7-154.20113.3A144 R168 Y169 L170 E175 F176A144-K172 HydrophobicContact CB-CB 3.52Å; A144-K172 HydrophobicContact CB-CG 4.38Å; R168-K172 WeakPolarHBondContact O-CG 3.42Å; R168-K172 PolarHBondContact O-N 2.84Å; Y169-K172 WeakPolarHBondContact O-CB 3.36Å; Y169-K172 PolarHBondContact O-N 3.44Å; L170-K172 PolarHBondContact O-N 2.82Å; K172-E175 WeakPolarHBondContact CD-OE2 3.24Å; K172-E175 WeakPolarHBondContact CE-OE2 3.15Å; K172-E175 IonicContact NZ-OE2 2.9Å; K172-E175 PolarHBondContact NZ-OE2 3Å; K172-F176 WeakPolarHBondContact O-CB 3.44Å; K172-F176 PolarHBondContact O-N 3.49Å
173I95.7Very high94.6Very high35 Ų3581.2 Ų81.218%0.17939%0.393CS..Hα-helixtrans-70.2-44.4174.9-61.4-60.3000110.1A144 L145 Y169 L170 F176 A177A144-I173 HydrophobicContact CB-CD1 4.17Å; L145-I173 HydrophobicContact CD2-CD1 3.71Å; Y169-I173 HydrophobicContact CD1-CG1 4.38Å; Y169-I173 HydrophobicContact CD2-CG1 4.42Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 3.97Å; Y169-I173 HydrophobicContact CE2-CG1 4.01Å; Y169-I173 WeakPolarHBondContact O-CG1 3.46Å; Y169-I173 PolarHBondContact O-N 3.44Å; L170-I173 PolarHBondContact O-N 2.73Å; L170-I173 VanDerWaalsContact O-N 3.09Å; I173-F176 PolarHBondContact O-N 2.82Å; I173-A177 PolarHBondContact O-N 3.4Å
174E96.3Very high94.7Very high124 Ų12485 Ų8558%0.57940%0.397SS*.Hα-helixtrans-64.4-47177.2-173.4172.8-155.900111.7L170 F176 A177 E178L170-E174 WeakPolarHBondContact O-CB 3.2Å; L170-E174 PolarHBondContact O-N 2.9Å; E174-F176 PolarHBondContact O-N 3.03Å; E174-A177 PolarHBondContact O-N 2.7Å; E174-A177 VanDerWaalsContact O-N 3.11Å; E174-E178 PolarHBondContact O-N 3.4Å
175E95.8Very high94.6Very high64 Ų6487.3 Ų87.330%0.29940%0.401SS..Hα-helixtrans-54.4-38.9173.4-78.4170.7-166.600112Q171 K172 M179Q171-E175 HydrophobicContact CG-CG 4.47Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE1 3.45Å; Q171-E175 WeakPolarHBondContact O-CB 3.46Å; Q171-E175 VanDerWaalsContact O-CG 3.22Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.38Å; K172-E175 WeakPolarHBondContact CD-OE2 3.24Å; K172-E175 WeakPolarHBondContact CE-OE2 3.15Å; K172-E175 IonicContact NZ-OE2 2.9Å; K172-E175 PolarHBondContact NZ-OE2 3Å; E175-M179 WeakPolarHBondContact O-CG 3.45Å; E175-M179 PolarHBondContact O-N 3.11Å
176F94.6Very high94.2Very high86 Ų8691.9 Ų91.938%0.37743%0.425SS..Hα-helixtrans-72.4-43.3176.8179-100.5000112.5L145 K172 I173 E174 E178 M179 V180L145-F176 HydrophobicContact CD1-CB 4.48Å; L145-F176 HydrophobicContact CD1-CD1 3.64Å; L145-F176 HydrophobicContact CD1-CD2 3.63Å; L145-F176 HydrophobicContact CD1-CE1 3.61Å; L145-F176 HydrophobicContact CD1-CE2 3.61Å; L145-F176 HydrophobicContact CD1-CG 3.63Å; L145-F176 HydrophobicContact CD1-CZ 3.6Å; L145-F176 HydrophobicContact CD2-CD1 3.68Å; L145-F176 HydrophobicContact CD2-CE1 4.1Å; L145-F176 HydrophobicContact CD2-CG 4.13Å; L145-F176 HydrophobicContact CG-CD1 4.22Å; L145-F176 HydrophobicContact CG-CG 4.29Å; K172-F176 WeakPolarHBondContact O-CB 3.44Å; K172-F176 PolarHBondContact O-N 3.49Å; I173-F176 PolarHBondContact O-N 2.82Å; E174-F176 PolarHBondContact O-N 3.03Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 3.5Å; F176-M179 HydrophobicContact CB-CE 4.33Å; F176-M179 HydrophobicContact CD2-CE 4.05Å; F176-M179 PolarHBondContact O-N 3.31Å; F176-M179 VanDerWaalsContact O-N 3.11Å; F176-V180 HydrophobicContact CD1-CG2 4.11Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.07Å; F176-V180 HydrophobicContact CZ-CG2 3.58Å; F176-V180 WeakPolarHBondContact O-CG2 3.29Å; F176-V180 PolarHBondContact O-N 3.42Å
177A95.4Very high93.7Very high42 Ų4294.3 Ų94.335%0.34744%0.44SS..Hα-helixtrans-57.8-45176.500000111.2I173 E174 M179 V180 E181I173-A177 PolarHBondContact O-N 3.4Å; E174-A177 PolarHBondContact O-N 2.7Å; E174-A177 VanDerWaalsContact O-N 3.11Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.09Å; A177-V180 PolarHBondContact O-N 3.4Å; A177-E181 WeakPolarHBondContact O-CG 3.28Å; A177-E181 PolarHBondContact O-N 3.48Å
178E96.1Very high93.2Very high74 Ų7487.4 Ų87.435%0.34643%0.425SS..Hα-helixtrans-63-34175.8-70.4-173.6-161.200113.4E174 F176 R182E174-E178 PolarHBondContact O-N 3.4Å; F176-E178 VanDerWaalsContact C-N 3.31Å; F176-E178 PolarHBondContact O-N 3.5Å; E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 2.93Å; E178-R182 VanDerWaalsContact O-N 3.1Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 IonicContact OE2-NH1 3.81Å; E178-R182 PolarHBondContact OE2-NH1 3.22Å; E178-R182 IonicContact OE2-NH2 2.72Å; E178-R182 PolarHBondContact OE2-NH2 3.13Å
179M94.2Very high92.4Very high99 Ų9988 Ų8849%0.48844%0.435SS..Hα-helixtrans-67.3-43.7175.8-75-174.4-61.900110.8E175 F176 A177 R182 E183E175-M179 WeakPolarHBondContact O-CG 3.45Å; E175-M179 PolarHBondContact O-N 3.11Å; F176-M179 HydrophobicContact CB-CE 4.33Å; F176-M179 HydrophobicContact CD2-CE 4.05Å; F176-M179 PolarHBondContact O-N 3.31Å; F176-M179 VanDerWaalsContact O-N 3.11Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 3.09Å; M179-R182 PolarHBondContact O-N 3.05Å; M179-E183 WeakPolarHBondContact O-CG 3.28Å; M179-E183 PolarHBondContact O-N 3.26Å
180V94.3Very high91.3Very high42 Ų4290.9 Ų90.926%0.25545%0.45SS..Hα-helixtrans-63.5-45.2177.2175.20000110.8F176 A177 R182 E183 E184F176-V180 HydrophobicContact CD1-CG2 4.11Å; F176-V180 HydrophobicContact CE1-CG2 3.6Å; F176-V180 HydrophobicContact CE2-CG2 4.07Å; F176-V180 HydrophobicContact CZ-CG2 3.58Å; F176-V180 WeakPolarHBondContact O-CG2 3.29Å; F176-V180 PolarHBondContact O-N 3.42Å; A177-V180 PolarHBondContact O-N 3.4Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.11Å; V180-E183 PolarHBondContact O-N 2.95Å; V180-E184 HydrophobicContact CG1-CG 4.35Å; V180-E184 WeakPolarHBondContact O-CB 3.39Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 3.3Å
181E94.9Very high90Very high117 Ų11790.5 Ų90.555%0.54745%0.454SS..Hα-helixtrans-59.5-42.7176.9-72.8177.3171.600111.9A177 E184 E185A177-E181 WeakPolarHBondContact O-CG 3.28Å; A177-E181 PolarHBondContact O-N 3.48Å; E181-E184 PolarHBondContact O-N 3.26Å; E181-E185 WeakPolarHBondContact O-CB 3.22Å; E181-E185 WeakPolarHBondContact O-CG 3.29Å; E181-E185 PolarHBondContact O-N 3.41Å
182R94.3Very high88.3Confident136 Ų13691.8 Ų91.851%0.51346%0.459SS..Hα-helixtrans-65.7-40.9175.9-73.1176.5-174115.87.5112.7E178 M179 V180 E184 E185 D186E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 VanDerWaalsContact O-CG 3.26Å; E178-R182 WeakPolarHBondContact O-CG 3.42Å; E178-R182 PolarHBondContact O-N 2.93Å; E178-R182 VanDerWaalsContact O-N 3.1Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 IonicContact OE2-NH1 3.81Å; E178-R182 PolarHBondContact OE2-NH1 3.22Å; E178-R182 IonicContact OE2-NH2 2.72Å; E178-R182 PolarHBondContact OE2-NH2 3.13Å; M179-R182 PolarHBondContact O-N 3.05Å; V180-R182 VanDerWaalsContact C-N 3.33Å; V180-R182 PolarHBondContact O-N 3.11Å; R182-E184 VanDerWaalsContact C-N 3.34Å; R182-E185 PolarHBondContact O-N 3.32Å; R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 2.93Å
183E91.9Very high86.5Confident126 Ų12688.9 Ų88.959%0.58946%0.459SS*.Hα-helixtrans-63.5-41.1175.8-75178.2173.300111.2M179 V180 D186 D187M179-E183 WeakPolarHBondContact O-CG 3.28Å; M179-E183 PolarHBondContact O-N 3.26Å; V180-E183 PolarHBondContact O-N 2.95Å; E183-D186 PolarHBondContact O-N 3.44Å; E183-D187 WeakPolarHBondContact O-CB 3.43Å; E183-D187 PolarHBondContact O-N 2.92Å
184E92.1Very high84.4Confident128 Ų12893.6 Ų93.660%0.59848%0.475SS*.Hα-helixtrans-65.8-39.7175.3-72.6179.6-178.600112.3V180 E181 R182 A188V180-E184 HydrophobicContact CG1-CG 4.35Å; V180-E184 WeakPolarHBondContact O-CB 3.39Å; V180-E184 WeakPolarHBondContact O-CG 3.37Å; V180-E184 PolarHBondContact O-N 3.3Å; E181-E184 PolarHBondContact O-N 3.26Å; R182-E184 VanDerWaalsContact C-N 3.34Å; E184-A188 VanDerWaalsContact O-CB 3.28Å; E184-A188 WeakPolarHBondContact O-CB 3.38Å; E184-A188 PolarHBondContact O-N 2.92Å
185E90.6Very high82.2Confident126 Ų12694 Ų9459%0.58948%0.481SS*.Hα-helixtrans-63.8-45.6173.9-76.1178.4175.700112E181 R182 A188 L189E181-E185 WeakPolarHBondContact O-CB 3.22Å; E181-E185 WeakPolarHBondContact O-CG 3.29Å; E181-E185 PolarHBondContact O-N 3.41Å; R182-E185 PolarHBondContact O-N 3.32Å; E185-A188 PolarHBondContact O-N 2.95Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.85Å
186D85.8Confident79.9Confident107 Ų10795.8 Ų95.857%0.57250%0.5SS*.Hα-helixtrans-62.8-43177.6-78.3-17.2000111.3R182 E183 A188 L189 D190R182-D186 WeakPolarHBondContact O-CB 3.47Å; R182-D186 PolarHBondContact O-N 2.93Å; E183-D186 PolarHBondContact O-N 3.44Å; D186-A188 VanDerWaalsContact C-N 3.35Å; D186-L189 PolarHBondContact O-N 3.03Å; D186-D190 PolarHBondContact O-N 3.33Å; D186-D190 VanDerWaalsContact O-N 3.1Å
187D84.6Confident77.6Confident108 Ų10895.8 Ų95.858%0.57850%0.502SS*.Hα-helixtrans-65.3-37.1175.4-84.9-17.8000112.1E183 D190 S191E183-D187 WeakPolarHBondContact O-CB 3.43Å; E183-D187 PolarHBondContact O-N 2.92Å; D187-D190 PolarHBondContact O-N 3.06Å; D187-S191 PolarHBondContact O-N 3.27Å; D187-S191 VanDerWaalsContact O-N 3.09Å
188A83.1Confident75.4Confident50 Ų5096.3 Ų96.341%0.41351%0.511SS..Hα-helixtrans-66.9-44.3176.200000111.9E184 E185 D186 D190 S191 E192E184-A188 VanDerWaalsContact O-CB 3.28Å; E184-A188 WeakPolarHBondContact O-CB 3.38Å; E184-A188 PolarHBondContact O-N 2.92Å; E185-A188 PolarHBondContact O-N 2.95Å; D186-A188 VanDerWaalsContact C-N 3.35Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.33Å; A188-S191 CarbonylContact O-C 3.56Å; A188-S191 PolarHBondContact O-N 2.9Å; A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.04Å
189L78.3Confident72.9Confident109 Ų10998.6 Ų98.657%0.57153%0.532SS*.Hα-helixtrans-61.7-38.4176.3-70173.6000112E185 D186 S191 G193E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.85Å; D186-L189 PolarHBondContact O-N 3.03Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.35Å; L189-G193 PolarHBondContact O-N 3.22Å
190D72.4Confident70.6Confident63 Ų6396.1 Ų96.134%0.33753%0.527SS..Hα-helixtrans-66.3-30.2174.1-94.53.7000112.9D186 D187 A188 R219D186-D190 PolarHBondContact O-N 3.33Å; D186-D190 VanDerWaalsContact O-N 3.1Å; D187-D190 PolarHBondContact O-N 3.06Å; A188-D190 VanDerWaalsContact C-N 3.3Å; A188-D190 PolarHBondContact O-N 3.33Å; D190-R219 IonicContact OD2-CZ 3.42Å; D190-R219 IonicContact OD2-NH1 2.9Å; D190-R219 IonicContact OD2-NH2 2.59Å; D190-R219 PolarHBondContact OD2-NH2 3.1Å
191S67.6Low68.4Low62 Ų62104 Ų10443%0.43456%0.562SS.*Hα-helixtrans-81.2-41.4175.1-168.10000112.6D187 A188 L189 G193 R194 D195D187-S191 PolarHBondContact O-N 3.27Å; D187-S191 VanDerWaalsContact O-N 3.09Å; A188-S191 CarbonylContact O-C 3.56Å; A188-S191 PolarHBondContact O-N 2.9Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.35Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 3.04Å; S191-R194 WeakPolarHBondContact O-CA 3.39Å; S191-R194 VanDerWaalsContact O-CB 3.27Å; S191-R194 WeakPolarHBondContact O-CB 3.32Å; S191-R194 PolarHBondContact O-N 2.91Å; S191-D195 PolarHBondContact O-N 3.38Å
192E62Low66.4Low125 Ų125102 Ų10258%0.58457%0.571SS**Hα-helixtrans-67.3-32.4176.1-70.2-159.9122.500111.7A188 R194 D195 S196A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.04Å; E192-R194 PolarHBondContact O-N 3.29Å; E192-R194 VanDerWaalsContact O-N 3.16Å; E192-D195 PolarHBondContact O-N 2.96Å; E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 2.85Å; E192-S196 PolarHBondContact O-N 2.89Å
193G55.8Low64.5Low44 Ų4498.3 Ų98.345%0.45456%0.56SS.*Hα-helixtrans-62.4-13.2167.500000114.5L189 S191L189-G193 PolarHBondContact O-N 3.22Å; S191-G193 VanDerWaalsContact C-N 3.3Å; S191-G193 PolarHBondContact O-N 3.04Å
194R52.4Low63.1Low134 Ų13494.6 Ų94.651%0.50656%0.556SS.*Hα-helixtrans-93.6-33.3172-72175.8171.1-155.7-5.7113.5S191 E192 D215S191-R194 WeakPolarHBondContact O-CA 3.39Å; S191-R194 VanDerWaalsContact O-CB 3.27Å; S191-R194 WeakPolarHBondContact O-CB 3.32Å; S191-R194 PolarHBondContact O-N 2.91Å; E192-R194 PolarHBondContact O-N 3.29Å; E192-R194 VanDerWaalsContact O-N 3.16Å; R194-D215 IonicContact NH2-OD1 3.75Å; R194-D215 PolarHBondContact NH2-OD1 3.2Å; R194-D215 VanDerWaalsContact NH2-OD1 3.07Å
195D50.2Low61.8Low133 Ų13398.9 Ų98.971%0.71157%0.566SS**Hα-helixtrans-103.7-25.8-172-70.7-24000114.5S191 E192S191-D195 PolarHBondContact O-N 3.38Å; E192-D195 PolarHBondContact O-N 2.96Å
196S46.8Very low60.9Low100 Ų10099.3 Ų99.370%0.69957%0.572SS**SBendtrans-86.8-5.7-175.4-140.10000114.6E192E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 2.85Å; E192-S196 PolarHBondContact O-N 2.89Å
197E47.7Very low60.2Low87 Ų8795.4 Ų95.441%0.40756%0.557SS.*  trans-110.156.6166.6-70.7-171.1132.100111.3R211E197-R211 IonicContact OE2-CZ 2.9Å; E197-R211 IonicContact OE2-NH1 3.07Å; E197-R211 PolarHBondContact OE2-NH1 2.75Å; E197-R211 IonicContact OE2-NH2 2.68Å; E197-R211 PolarHBondContact OE2-NH2 2.68Å
198G48.1Very low59.4Low52 Ų5295.9 Ų95.954%0.53655%0.551SS.*SBendtrans-51140.1140.300000108.1A200G198-A200 PolarHBondContact O-N 3.25Å
199P43.6Very low58.9Low123 Ų12396.6 Ų96.680%0.79955%0.552SS**  trans-47.896.9-149.522.6-34000112E201P199-E201 PolarHBondContact O-N 3.14Å
200A45.2Very low58.8Low46 Ų4697.3 Ų97.338%0.3855%0.554SS.*  trans-61.8114.916900000105.8G198 G202 E203G198-A200 PolarHBondContact O-N 3.25Å; A200-G202 PolarHBondContact O-N 3.12Å; A200-E203 PolarHBondContact O-N 3.19Å
201E48.7Very low58.7Low209 Ų20998 Ų9898%0.97755%0.552SS**THydrogen-bonded Turntrans-6079.9178.2-64.9-177.7129.800109.3P199P199-E201 PolarHBondContact O-N 3.14Å
202G53.8Low58.8Low73 Ų73103.8 Ų103.875%0.75356%0.564SS**THydrogen-bonded Turntrans164.1-22-17800000116.1A200 G204A200-G202 PolarHBondContact O-N 3.12Å; G202-G204 PolarHBondContact O-N 3.23Å; G202-G204 VanDerWaalsContact O-N 3.16Å
203E52.9Low59.4Low59 Ų59101.8 Ų101.828%0.27656%0.557SS.*  trans-79.1110.5179-75-171.6100.500111.8A200 R208 R211A200-E203 PolarHBondContact O-N 3.19Å; E203-R208 PolarHBondContact O-NH1 2.77Å; E203-R208 PolarHBondContact O-NH2 3.18Å; E203-R211 IonicContact OE1-CZ 3.48Å; E203-R211 IonicContact OE1-NH2 3.64Å; E203-R211 PolarHBondContact OE1-NH2 3.43Å; E203-R211 IonicContact OE2-CZ 3.45Å; E203-R211 IonicContact OE2-NH2 3.07Å; E203-R211 PolarHBondContact OE2-NH2 2.93Å
204G62.8Low60.4Low48 Ų48106.3 Ų106.350%0.49556%0.561SS.*  trans-55.9159.117300000112.1G202 L206 G207G202-G204 PolarHBondContact O-N 3.23Å; G202-G204 VanDerWaalsContact O-N 3.16Å; G204-L206 PolarHBondContact O-N 3.2Å; G204-G207 PolarHBondContact O-N 3.31Å
205R65.7Low61.3Low218 Ų218102.4 Ų102.482%0.82355%0.55SS*.Hα-helixtrans-49.4-24.4177.7-68.6177.673.3-139.74.4113.6C209R205-C209 PolarHBondContact O-N 3.25Å
206L70.4Confident62.4Low135 Ų13598.3 Ų98.371%0.70753%0.527SS*.Hα-helixtrans-68.4-40.7179.4-162.968000113.1G204 C209 M210G204-L206 PolarHBondContact O-N 3.2Å; L206-C209 WeakPolarHBondContact O-CB 3.4Å; L206-C209 PolarHBondContact O-N 2.93Å; L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.75Å
207G72.3Confident63.9Low26 Ų2697.7 Ų97.727%0.26852%0.519SS..Hα-helixtrans-64.9-42.2-179.800000112.3G204 C209 M210 R211G204-G207 PolarHBondContact O-N 3.31Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 2.93Å; G207-M210 PolarHBondContact O-N 3.22Å; G207-R211 PolarHBondContact O-N 3.34Å; G207-R211 VanDerWaalsContact O-N 3.1Å
208R67.8Low65.3Low118 Ų11898.5 Ų98.545%0.44552%0.522SS..Hα-helixtrans-65-34.8173.5-71-171.5-73.7-76.50.7113.1E203 R212E203-R208 PolarHBondContact O-NH1 2.77Å; E203-R208 PolarHBondContact O-NH2 3.18Å; R208-R212 WeakPolarHBondContact O-CG 3.46Å; R208-R212 PolarHBondContact O-N 2.65Å
209C71.6Confident66.3Low65 Ų65100 Ų10044%0.43951%0.512SS..Hα-helixtrans-69-49.4176.9-170.30000111.1R205 L206 G207 R211 R212 L213R205-C209 PolarHBondContact O-N 3.25Å; L206-C209 WeakPolarHBondContact O-CB 3.4Å; L206-C209 PolarHBondContact O-N 2.93Å; G207-C209 VanDerWaalsContact C-N 3.33Å; G207-C209 PolarHBondContact O-N 2.93Å; C209-R211 VanDerWaalsContact C-N 3.28Å; C209-R211 PolarHBondContact O-N 2.86Å; C209-R212 PolarHBondContact O-N 3.18Å; C209-L213 WeakPolarHBondContact O-CG 2.72Å; C209-L213 PolarHBondContact O-N 3.05Å
210M76.7Confident67.5Low123 Ų12396.2 Ų96.261%0.60649%0.487SS*.Hα-helixtrans-60.2-37.8179.8-74.4-63.4-124.800112.1L206 G207 L213 R214L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.75Å; G207-M210 PolarHBondContact O-N 3.22Å; M210-L213 PolarHBondContact O-N 3.28Å; M210-L213 HydrophobicContact SD-CD1 4.45Å; M210-R214 WeakPolarHBondContact O-CB 3.4Å; M210-R214 PolarHBondContact O-N 3.06Å
211R69.8Low68.4Low78 Ų78101.8 Ų101.829%0.29451%0.505SS..Hα-helixtrans-66.6-43.3175-84.6-174.3-82.6172.5-8.7113.8E197 E203 G207 C209 L213 R214 D215E197-R211 IonicContact OE2-CZ 2.9Å; E197-R211 IonicContact OE2-NH1 3.07Å; E197-R211 PolarHBondContact OE2-NH1 2.75Å; E197-R211 IonicContact OE2-NH2 2.68Å; E197-R211 PolarHBondContact OE2-NH2 2.68Å; E203-R211 IonicContact OE1-CZ 3.48Å; E203-R211 IonicContact OE1-NH2 3.64Å; E203-R211 PolarHBondContact OE1-NH2 3.43Å; E203-R211 IonicContact OE2-CZ 3.45Å; E203-R211 IonicContact OE2-NH2 3.07Å; E203-R211 PolarHBondContact OE2-NH2 2.93Å; G207-R211 PolarHBondContact O-N 3.34Å; G207-R211 VanDerWaalsContact O-N 3.1Å; C209-R211 VanDerWaalsContact C-N 3.28Å; C209-R211 PolarHBondContact O-N 2.86Å; R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 2.69Å; R211-R214 WeakPolarHBondContact O-CB 3.49Å; R211-R214 PolarHBondContact O-N 3.09Å; R211-D215 PolarHBondContact O-N 2.76Å
212R70.1Confident69.1Low183 Ų18395 Ų9569%0.69148%0.48SS*.Hα-helixtrans-61.2-38.6173.6-73.4-178.9-176.5-178.10.5112.3R208 C209 M216R208-R212 WeakPolarHBondContact O-CG 3.46Å; R208-R212 PolarHBondContact O-N 2.65Å; C209-R212 PolarHBondContact O-N 3.18Å; R212-M216 WeakPolarHBondContact O-CB 3.2Å; R212-M216 WeakPolarHBondContact O-CG 3.2Å; R212-M216 PolarHBondContact O-N 3.44Å
213L74.8Confident70Confident84 Ų8492.7 Ų92.744%0.4446%0.457SS..Hα-helixtrans-66.6-41.7175.6-69.8172.7000111.4C209 M210 R211 M216 V217C209-L213 WeakPolarHBondContact O-CG 2.72Å; C209-L213 PolarHBondContact O-N 3.05Å; M210-L213 PolarHBondContact O-N 3.28Å; M210-L213 HydrophobicContact SD-CD1 4.45Å; R211-L213 VanDerWaalsContact C-N 3.28Å; R211-L213 PolarHBondContact O-N 2.69Å; L213-M216 PolarHBondContact O-N 3.14Å; L213-V217 VanDerWaalsContact O-CG2 3.28Å; L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.86Å; L213-V217 VanDerWaalsContact O-N 3.09Å
214R76.9Confident71Confident138 Ų13896.7 Ų96.752%0.52148%0.48SS..Hα-helixtrans-60.6-49.7174.9-177.1177.9169.4-173.5-10.7111.7M210 R211 M216 V217 E218M210-R214 WeakPolarHBondContact O-CB 3.4Å; M210-R214 PolarHBondContact O-N 3.06Å; R211-R214 WeakPolarHBondContact O-CB 3.49Å; R211-R214 PolarHBondContact O-N 3.09Å; R214-M216 VanDerWaalsContact C-N 3.3Å; R214-M216 PolarHBondContact O-N 3.37Å; R214-V217 PolarHBondContact O-N 2.99Å; R214-V217 VanDerWaalsContact O-N 3.08Å; R214-E218 VanDerWaalsContact CG-CD 3.43Å; R214-E218 HydrophobicContact CG-CG 4.21Å; R214-E218 WeakPolarHBondContact CG-OE1 3.23Å; R214-E218 WeakPolarHBondContact CG-OE2 3.41Å; R214-E218 IonicContact CZ-OE1 3.04Å; R214-E218 IonicContact CZ-OE2 2.58Å; R214-E218 VanDerWaalsContact NE-CD 3.27Å; R214-E218 IonicContact NE-OE1 2.63Å; R214-E218 PolarHBondContact NE-OE1 3.17Å; R214-E218 IonicContact NE-OE2 3.61Å; R214-E218 PolarHBondContact NE-OE2 3.16Å; R214-E218 IonicContact NH2-OE1 2.61Å; R214-E218 IonicContact NH2-OE2 3.06Å; R214-E218 PolarHBondContact NH2-OE2 3.22Å; R214-E218 WeakPolarHBondContact O-CB 3.38Å; R214-E218 PolarHBondContact O-N 2.94Å
215D71.6Confident71.8Confident53 Ų5397.9 Ų97.928%0.28348%0.479SS..Hα-helixtrans-58-40.8175.7-85.2-47.9000112.3R194 R211 V217 R219R194-D215 IonicContact NH2-OD1 3.75Å; R194-D215 PolarHBondContact NH2-OD1 3.2Å; R194-D215 VanDerWaalsContact NH2-OD1 3.07Å; R211-D215 PolarHBondContact O-N 2.76Å; D215-V217 VanDerWaalsContact C-N 3.29Å; D215-V217 PolarHBondContact O-N 3.24Å; D215-R219 PolarHBondContact O-N 3.03Å; D215-R219 VanDerWaalsContact O-N 3.09Å
216M73.8Confident72.5Confident47 Ų4787.6 Ų87.623%0.23244%0.44CS..Hα-helixtrans-63.8-33.1177-78173.656.900113.1R212 L213 R214 P225 F229R212-M216 WeakPolarHBondContact O-CB 3.2Å; R212-M216 WeakPolarHBondContact O-CG 3.2Å; R212-M216 PolarHBondContact O-N 3.44Å; L213-M216 PolarHBondContact O-N 3.14Å; R214-M216 VanDerWaalsContact C-N 3.3Å; R214-M216 PolarHBondContact O-N 3.37Å; M216-P225 HydrophobicContact CE-CB 4.13Å; M216-P225 HydrophobicContact CG-CB 4.01Å; M216-P225 HydrophobicContact CG-CG 4.37Å; M216-P225 HydrophobicContact SD-CB 3.84Å; M216-F229 HydrophobicContact CE-CB 4.15Å
217V77.7Confident73.2Confident87 Ų8787.1 Ų87.153%0.52743%0.432SS..Hα-helixtrans-85.6-44.7-177.8171.80000111.4L213 R214 D215 F229L213-V217 VanDerWaalsContact O-CG2 3.28Å; L213-V217 WeakPolarHBondContact O-CG2 3.48Å; L213-V217 PolarHBondContact O-N 2.86Å; L213-V217 VanDerWaalsContact O-N 3.09Å; R214-V217 PolarHBondContact O-N 2.99Å; R214-V217 VanDerWaalsContact O-N 3.08Å; D215-V217 VanDerWaalsContact C-N 3.29Å; D215-V217 PolarHBondContact O-N 3.24Å; V217-F229 HydrophobicContact CB-CE1 4.5Å; V217-F229 HydrophobicContact CG2-CE1 3.91Å; V217-F229 HydrophobicContact CG2-CZ 3.92Å
218E77.5Confident73.9Confident103 Ų10389.9 Ų89.948%0.48144%0.444SS..Hα-helixtrans-79.4-31-174.1-70.7176.2-179.300112.7R214R214-E218 VanDerWaalsContact CG-CD 3.43Å; R214-E218 HydrophobicContact CG-CG 4.21Å; R214-E218 WeakPolarHBondContact CG-OE1 3.23Å; R214-E218 WeakPolarHBondContact CG-OE2 3.41Å; R214-E218 IonicContact CZ-OE1 3.04Å; R214-E218 IonicContact CZ-OE2 2.58Å; R214-E218 VanDerWaalsContact NE-CD 3.27Å; R214-E218 IonicContact NE-OE1 2.63Å; R214-E218 PolarHBondContact NE-OE1 3.17Å; R214-E218 IonicContact NE-OE2 3.61Å; R214-E218 PolarHBondContact NE-OE2 3.16Å; R214-E218 IonicContact NH2-OE1 2.61Å; R214-E218 IonicContact NH2-OE2 3.06Å; R214-E218 PolarHBondContact NH2-OE2 3.22Å; R214-E218 WeakPolarHBondContact O-CB 3.38Å; R214-E218 PolarHBondContact O-N 2.94Å
219R68.8Low74.8Confident84 Ų8488.4 Ų88.432%0.31744%0.441SS..  trans-128.377-179-66.1-178.5176.3128.2-4.3111.6D190 D215 H221 S222D190-R219 IonicContact OD2-CZ 3.42Å; D190-R219 IonicContact OD2-NH1 2.9Å; D190-R219 IonicContact OD2-NH2 2.59Å; D190-R219 PolarHBondContact OD2-NH2 3.1Å; D215-R219 PolarHBondContact O-N 3.03Å; D215-R219 VanDerWaalsContact O-N 3.09Å; R219-H221 PolarHBondContact O-N 3.32Å; R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.27Å; R219-S222 PolarHBondContact O-OG 2.85Å
220P68.3Low75.4Confident43 Ų4386.6 Ų86.628%0.27943%0.431SS..THydrogen-bonded Turntrans-60-18.6-178.722.3-32.8000114.1G226 K227 A230P220-G226 CarbonylContact O-C 3.12Å; P220-K227 PolarHBondContact O-N 3.04Å; P220-K227 VanDerWaalsContact O-N 3.14Å; P220-A230 HydrophobicContact CB-CB 3.76Å
221H65.2Low76Confident164 Ų16484.3 Ų84.376%0.75943%0.426SS*.THydrogen-bonded Turntrans-90.5-7.8178.2-60.2-63.5000114.7R219 G223R219-H221 PolarHBondContact O-N 3.32Å; H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 3.37Å
222S62.8Low76.9Confident65 Ų6585.6 Ų85.646%0.45544%0.438SS..SBendtrans-74.8-7.6-170.863.70000115.5R219R219-S222 WeakPolarHBondContact O-CB 3.4Å; R219-S222 PolarHBondContact O-N 3.27Å; R219-S222 PolarHBondContact O-OG 2.85Å
223G72.9Confident77.9Confident25 Ų2579.4 Ų79.426%0.25842%0.423SS..SBendtrans173.5-179.2177.500000115.3H221 G226 K227H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 3.37Å; G223-G226 PolarHBondContact O-N 3.32Å; G223-K227 WeakPolarHBondContact O-CG 3.15Å; G223-K227 PolarHBondContact O-N 3.44Å
224L74.6Confident78.8Confident144 Ų14479.9 Ų79.975%0.75443%0.429SS*.Hα-helixtrans-50.3-51175.4-99.4156.6000114K227 V228L224-K227 PolarHBondContact O-N 2.84Å; L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 2.91Å
225P78.1Confident79.7Confident73 Ų7377.6 Ų77.647%0.47443%0.426SS..Hα-helixtrans-68.8-35.1-17824.2-32.6000113.5M216 V228 F229M216-P225 HydrophobicContact CE-CB 4.13Å; M216-P225 HydrophobicContact CG-CB 4.01Å; M216-P225 HydrophobicContact CG-CG 4.37Å; M216-P225 HydrophobicContact SD-CB 3.84Å; P225-V228 PolarHBondContact O-N 2.95Å; P225-F229 PolarHBondContact O-N 2.8Å
226G81.6Confident80.8Confident1 Ų181.7 Ų81.71%0.0144%0.442CS..Hα-helixtrans-64.7-41173.500000112.3P220 G223 V228 F229 A230P220-G226 CarbonylContact O-C 3.12Å; G223-G226 PolarHBondContact O-N 3.32Å; G226-V228 PolarHBondContact O-N 3.08Å; G226-F229 PolarHBondContact O-N 3.21Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3.3Å
227K84.2Confident81.9Confident126 Ų12683.9 Ų83.955%0.54846%0.458SS..Hα-helixtrans-63.7-39.7175.1-72173.3-178.5175.90112.4P220 G223 L224 C231P220-K227 PolarHBondContact O-N 3.04Å; P220-K227 VanDerWaalsContact O-N 3.14Å; G223-K227 WeakPolarHBondContact O-CG 3.15Å; G223-K227 PolarHBondContact O-N 3.44Å; L224-K227 PolarHBondContact O-N 2.84Å; K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 2.87Å
228V86.4Confident82.7Confident83 Ų8383 Ų8350%0.50345%0.453SS..Hα-helixtrans-64.8-45.5174.9172.10000110.7L224 P225 G226 A230 C231 L232L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 2.91Å; P225-V228 PolarHBondContact O-N 2.95Å; G226-V228 PolarHBondContact O-N 3.08Å; V228-A230 PolarHBondContact O-N 3.19Å; V228-C231 PolarHBondContact O-N 2.73Å; V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.17Å; V228-L232 PolarHBondContact O-N 2.93Å
229F86.7Confident83.6Confident87 Ų8782.5 Ų82.538%0.38246%0.456SS..Hα-helixtrans-60.6-45.9177.5-179-101.1000112.2M216 V217 P225 G226 C231 L232 S233M216-F229 HydrophobicContact CE-CB 4.15Å; V217-F229 HydrophobicContact CB-CE1 4.5Å; V217-F229 HydrophobicContact CG2-CE1 3.91Å; V217-F229 HydrophobicContact CG2-CZ 3.92Å; P225-F229 PolarHBondContact O-N 2.8Å; G226-F229 PolarHBondContact O-N 3.21Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 3.2Å; F229-L232 PolarHBondContact O-N 3.01Å; F229-S233 PolarHBondContact O-N 3.14Å; F229-S233 PolarHBondContact O-OG 3.04Å
230A85.6Confident84.9Confident28 Ų2881.1 Ų81.123%0.23146%0.457CS..Hα-helixtrans-61.3-38.317600000112.9P220 G226 V228 S233 V234P220-A230 HydrophobicContact CB-CB 3.76Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3.3Å; V228-A230 PolarHBondContact O-N 3.19Å; A230-S233 WeakPolarHBondContact CA-OG 3.28Å; A230-S233 PolarHBondContact O-OG 3.12Å; A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.24Å; A230-V234 PolarHBondContact O-N 3.06Å; A230-V234 VanDerWaalsContact O-N 3.11Å
231C87.8Confident86.2Confident74 Ų7481.3 Ų81.350%0.546%0.463SS..Hα-helixtrans-64.9-45.5175.1-175.20000111.3K227 V228 F229 S233 V234 L235K227-C231 WeakPolarHBondContact O-CB 3.21Å; K227-C231 PolarHBondContact O-N 2.87Å; V228-C231 PolarHBondContact O-N 2.73Å; F229-C231 VanDerWaalsContact C-N 3.32Å; F229-C231 PolarHBondContact O-N 3.2Å; C231-S233 PolarHBondContact O-N 2.89Å; C231-V234 PolarHBondContact O-N 3.12Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CG 3.41Å; C231-L235 PolarHBondContact O-N 3.29Å
232L90.6Very high87.6Confident105 Ų10577.9 Ų77.955%0.5545%0.453SS..Hα-helixtrans-63.9-38.9177.2-69.3174.8000112.5V228 F229 L235 F236V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.17Å; V228-L232 PolarHBondContact O-N 2.93Å; F229-L232 PolarHBondContact O-N 3.01Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-F236 WeakPolarHBondContact O-CB 3.26Å; L232-F236 PolarHBondContact O-N 2.9Å
233S90.9Very high88.9Confident53 Ų5379.6 Ų79.637%0.37146%0.457SS..Hα-helixtrans-66.1-4217865.30000111.7F229 A230 C231 F236 V237F229-S233 PolarHBondContact O-N 3.14Å; F229-S233 PolarHBondContact O-OG 3.04Å; A230-S233 WeakPolarHBondContact CA-OG 3.28Å; A230-S233 PolarHBondContact O-OG 3.12Å; C231-S233 PolarHBondContact O-N 2.89Å; S233-F236 PolarHBondContact O-N 2.77Å; S233-V237 WeakPolarHBondContact O-CG2 3.44Å; S233-V237 PolarHBondContact O-N 2.92Å
234V93.1Very high89.6Confident94 Ų9484 Ų8457%0.5747%0.474SS*.Hα-helixtrans-63.7-45.7174.5172.30000110.6A230 C231 F236 V237 T238A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.24Å; A230-V234 PolarHBondContact O-N 3.06Å; A230-V234 VanDerWaalsContact O-N 3.11Å; C231-V234 PolarHBondContact O-N 3.12Å; V234-F236 VanDerWaalsContact C-N 3.35Å; V234-F236 PolarHBondContact O-N 2.86Å; V234-V237 PolarHBondContact O-N 3.06Å; V234-T238 HydrophobicContact CG1-CG2 4.38Å; V234-T238 WeakPolarHBondContact O-CG2 3.24Å; V234-T238 PolarHBondContact O-N 2.89Å; V234-T238 PolarHBondContact O-OG1 3.46Å
235L94.9Very high90.3Very high90 Ų9080.6 Ų80.647%0.47146%0.463SS..Hα-helixtrans-57.2-47.7176.5-77.8167.2000111.5C231 L232 V237 T238 V239C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 WeakPolarHBondContact O-CG 3.41Å; C231-L235 PolarHBondContact O-N 3.29Å; L232-L235 PolarHBondContact O-N 2.82Å; L235-V237 PolarHBondContact O-N 3.08Å; L235-T238 WeakPolarHBondContact CA-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.94Å; L235-T238 PolarHBondContact O-OG1 3.1Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.29Å
236F95.4Very high90.7Very high140 Ų14080.1 Ų80.161%0.61446%0.458SS*.Hα-helixtrans-58.6-48.2178.3-179-101.7000112.1L232 S233 V234 T238 V239 T240L232-F236 WeakPolarHBondContact O-CB 3.26Å; L232-F236 PolarHBondContact O-N 2.9Å; S233-F236 PolarHBondContact O-N 2.77Å; V234-F236 VanDerWaalsContact C-N 3.35Å; V234-F236 PolarHBondContact O-N 2.86Å; F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.36Å; F236-V239 PolarHBondContact O-N 2.72Å; F236-T240 HydrophobicContact CD1-CG2 4.45Å; F236-T240 HydrophobicContact CE1-CG2 4Å; F236-T240 HydrophobicContact CE2-CG2 4.1Å; F236-T240 HydrophobicContact CZ-CG2 3.81Å; F236-T240 PolarHBondContact O-N 3.24Å; F236-T240 PolarHBondContact O-OG1 3.17Å
237V96.1Very high90.6Very high92 Ų9283.1 Ų83.156%0.55848%0.479SS*.Hα-helixtrans-57.9-45.8176.3171.60000110.8S233 V234 L235 T240 A241S233-V237 WeakPolarHBondContact O-CG2 3.44Å; S233-V237 PolarHBondContact O-N 2.92Å; V234-V237 PolarHBondContact O-N 3.06Å; L235-V237 PolarHBondContact O-N 3.08Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 2.81Å; V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 3.34Å
238T95.9Very high90.5Very high69 Ų6982.4 Ų82.442%0.42349%0.485SS..Hα-helixtrans-64-43.6178.759.60000113V234 L235 F236 A241 V242V234-T238 HydrophobicContact CG1-CG2 4.38Å; V234-T238 WeakPolarHBondContact O-CG2 3.24Å; V234-T238 PolarHBondContact O-N 2.89Å; V234-T238 PolarHBondContact O-OG1 3.46Å; L235-T238 WeakPolarHBondContact CA-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.94Å; L235-T238 PolarHBondContact O-OG1 3.1Å; F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.36Å; T238-A241 PolarHBondContact O-N 2.8Å; T238-V242 WeakPolarHBondContact O-CG2 3.47Å; T238-V242 PolarHBondContact O-N 3.44Å
239V95.7Very high90.2Very high92 Ų9282.7 Ų82.756%0.55848%0.483SS*.Hα-helixtrans-63.2-44.3178171.10000110.7L235 F236 A241 V242 N243L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 3.29Å; F236-V239 PolarHBondContact O-N 2.72Å; V239-A241 PolarHBondContact O-N 2.96Å; V239-V242 PolarHBondContact O-N 3.48Å; V239-N243 WeakPolarHBondContact O-CB 3.38Å; V239-N243 PolarHBondContact O-N 3.37Å
240T95.6Very high89.1Confident55 Ų5582.9 Ų82.934%0.33749%0.494SS..Hα-helixtrans-63.4-40.5176.151.70000112.4F236 V237 N243 L244F236-T240 HydrophobicContact CD1-CG2 4.45Å; F236-T240 HydrophobicContact CE1-CG2 4Å; F236-T240 HydrophobicContact CE2-CG2 4.1Å; F236-T240 HydrophobicContact CZ-CG2 3.81Å; F236-T240 PolarHBondContact O-N 3.24Å; F236-T240 PolarHBondContact O-OG1 3.17Å; V237-T240 WeakPolarHBondContact CA-OG1 3.38Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 2.81Å; T240-N243 PolarHBondContact O-N 3.39Å; T240-L244 WeakPolarHBondContact O-CB 3.44Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 2.99Å; T240-L244 PolarHBondContact O-N 3.42Å
241A95.3Very high87.9Confident48 Ų4885.3 Ų85.340%0.39751%0.509SS..Hα-helixtrans-63.9-4217600000112.5V237 T238 V239 S245V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 3.34Å; T238-A241 PolarHBondContact O-N 2.8Å; V239-A241 PolarHBondContact O-N 2.96Å; A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.84Å; A241-S245 PolarHBondContact O-OG 3.34Å
242V94.5Very high86.5Confident91 Ų9185.6 Ų85.655%0.55251%0.505SS*.Hα-helixtrans-64.1-46175.3171.50000110.6T238 V239 L244 S245 V246T238-V242 WeakPolarHBondContact O-CG2 3.47Å; T238-V242 PolarHBondContact O-N 3.44Å; V239-V242 PolarHBondContact O-N 3.48Å; V242-L244 PolarHBondContact O-N 3.08Å; V242-S245 WeakPolarHBondContact O-CB 3.33Å; V242-S245 PolarHBondContact O-N 2.79Å; V242-S245 VanDerWaalsContact O-N 3.09Å; V242-V246 HydrophobicContact CG1-CG2 4.23Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 2.87Å
243N90.1Very high84.8Confident101 Ų10189 Ų8954%0.5451%0.511SS..Hα-helixtrans-61.7-43179.1-167.1-7.9000111.8V239 T240 S245 V246 S247V239-N243 WeakPolarHBondContact O-CB 3.38Å; V239-N243 PolarHBondContact O-N 3.37Å; T240-N243 PolarHBondContact O-N 3.39Å; N243-S245 VanDerWaalsContact C-N 3.32Å; N243-S245 PolarHBondContact O-N 2.64Å; N243-V246 PolarHBondContact O-N 2.8Å; N243-S247 VanDerWaalsContact O-CB 3.31Å; N243-S247 WeakPolarHBondContact O-CB 3.5Å; N243-S247 PolarHBondContact O-N 2.81Å; N243-S247 PolarHBondContact O-OG 3.18Å; N243-S247 PolarHBondContact OD1-OG 3.21Å
244L88.9Confident83.2Confident118 Ų11893.6 Ų93.662%0.61853%0.526SS*.Hα-helixtrans-60.7-41.3172.4-72.5170.4000111.9T240 V242 S247 T248T240-L244 WeakPolarHBondContact O-CB 3.44Å; T240-L244 VanDerWaalsContact O-CG 3.27Å; T240-L244 WeakPolarHBondContact O-CG 2.99Å; T240-L244 PolarHBondContact O-N 3.42Å; V242-L244 PolarHBondContact O-N 3.08Å; L244-S247 PolarHBondContact O-N 3.05Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 2.79Å; L244-T248 VanDerWaalsContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.27Å
245S89.5Confident81.5Confident73 Ų7396.4 Ų96.451%0.5153%0.533SS..Hα-helixtrans-64.5-46.2178.6-57.10000111.3A241 V242 N243 T248 L249A241-S245 WeakPolarHBondContact O-CB 3.26Å; A241-S245 PolarHBondContact O-N 2.84Å; A241-S245 PolarHBondContact O-OG 3.34Å; V242-S245 WeakPolarHBondContact O-CB 3.33Å; V242-S245 PolarHBondContact O-N 2.79Å; V242-S245 VanDerWaalsContact O-N 3.09Å; N243-S245 VanDerWaalsContact C-N 3.32Å; N243-S245 PolarHBondContact O-N 2.64Å; S245-T248 PolarHBondContact O-N 3.46Å; S245-L249 PolarHBondContact O-N 2.87Å
246V86.3Confident79.6Confident63 Ų63100.5 Ų100.538%0.38255%0.55SS..Hα-helixtrans-61.9-44.1176.3171.60000111.1V242 N243 T248 L249 L252V242-V246 HydrophobicContact CG1-CG2 4.23Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.49Å; V242-V246 PolarHBondContact O-N 2.87Å; N243-V246 PolarHBondContact O-N 2.8Å; V246-T248 PolarHBondContact O-N 3.49Å; V246-L249 PolarHBondContact O-N 3.25Å; V246-L249 VanDerWaalsContact O-N 3.12Å; V246-L252 HydrophobicContact CG1-CD1 3.61Å
247S80.1Confident77.4Confident64 Ų64102.4 Ų102.445%0.44856%0.561SS.*Hα-helixtrans-64.9-19.1177.9-60.90000113.7N243 L244N243-S247 VanDerWaalsContact O-CB 3.31Å; N243-S247 WeakPolarHBondContact O-CB 3.5Å; N243-S247 PolarHBondContact O-N 2.81Å; N243-S247 PolarHBondContact O-OG 3.18Å; N243-S247 PolarHBondContact OD1-OG 3.21Å; L244-S247 PolarHBondContact O-N 3.05Å
248T81.8Confident74.7Confident111 Ų111109.6 Ų109.668%0.68159%0.588SS**Hα-helixtrans-96.5-10.3179.6-49.10000112L244 S245 V246 P250L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 PolarHBondContact O-N 2.79Å; L244-T248 VanDerWaalsContact O-N 3.14Å; L244-T248 PolarHBondContact O-OG1 3.27Å; S245-T248 PolarHBondContact O-N 3.46Å; V246-T248 PolarHBondContact O-N 3.49Å; T248-P250 WeakPolarHBondContact O-CD 3.45Å
249L79.8Confident73.6Confident88 Ų88111.6 Ų111.646%0.46160%0.596SS.*  trans-77117.6175.1-71.7171.7000110S245 V246 S251 L252S245-L249 PolarHBondContact O-N 2.87Å; V246-L249 PolarHBondContact O-N 3.25Å; V246-L249 VanDerWaalsContact O-N 3.12Å; L249-S251 PolarHBondContact O-N 2.82Å; L249-L252 PolarHBondContact O-N 2.96Å
250P62.8Low72.5Confident92 Ų92112.6 Ų112.660%0.59760%0.598SS**Hα-helixtrans-64.8-22-179.523.9-31.1000112.9T248 L252 R253T248-P250 WeakPolarHBondContact O-CD 3.45Å; P250-L252 PolarHBondContact O-N 3.08Å; P250-R253 PolarHBondContact O-N 2.96Å
251S61.6Low71.2Confident78 Ų78115.8 Ų115.855%0.54561%0.613SS.*Hα-helixtrans-69.5-11.4-178.162.30000115.4L249L249-S251 PolarHBondContact O-N 2.82Å
252L57.2Low69.8Low81 Ų81119.8 Ų119.842%0.42463%0.625SS.*Hα-helixtrans-108.2-10.9174.8-68.9173.6000113.1V246 L249 P250 E254V246-L252 HydrophobicContact CG1-CD1 3.61Å; L249-L252 PolarHBondContact O-N 2.96Å; P250-L252 PolarHBondContact O-N 3.08Å; L252-E254 VanDerWaalsContact C-N 3.33Å
253R56Low68.2Low177 Ų177121.6 Ų121.667%0.66863%0.63SS**Hα-helixtrans-74.7-25.1172.5-80.7-176.2173.1-157-3.8112.5P250P250-R253 PolarHBondContact O-N 2.96Å
254E57.3Low66.8Low149 Ų149123 Ų12370%0.69664%0.636SS**SBendtrans-78.5-17.9-179.5-66.3178.6176.200113.2L252L252-E254 VanDerWaalsContact C-N 3.33Å
255E56.7Low65.2Low152 Ų152123.4 Ų123.471%0.7164%0.637SS**SBendtrans-91.4-13.5177.5-66.9-170160.800113.9
256E54.3Low63.3Low177 Ų177127.2 Ų127.283%0.82765%0.647SS**SBendtrans-90.2-12.7175.3-92.2-173.515900113.8
257E51Low61.4Low180 Ų180132.6 Ų132.684%0.84167%0.669SS**  trans-96.113.6177.6-76.8-171.9162.500114.1
258Q38.4Very low59.7Low242 Ų242138.8 Ų138.8100%1.13169%0.689SS**  trans-111.80171.8-91.6-177.85.600113.8

Retrieved 258 of 258 residues in 126.3 ms (Link to these results)