A0A096M372_POEFO Loading...

LIM/homeobox protein Lhx9

May be involved in gonadal development.

AlphaFold DB , UniProt , Accession A0A096M372, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1M29.6Very low26Very low227 Ų227150.7 Ų150.7100%1.11886%0.858SS**  058.10-65.1158.3-176.600107.3
2E20.3Very low26.3Very low191 Ų191146.3 Ų146.389%0.89384%0.843SS**  75.913165-74.3-170.1115.200113.9
3V23.4Very low26.2Very low128 Ų128144.8 Ų144.878%0.77685%0.845SS**  trans-83.8144.6-178.9179.90000108.9
4V24.9Very low26.5Very low146 Ų146144.3 Ų144.389%0.88584%0.844SS**  trans-130.5113.9154.9-176.20000109.3
5S24.1Very low26.5Very low103 Ų103144.9 Ų144.972%0.7284%0.841SS**  trans-133.4127.4167.1-77.40000108.5
6C23.1Very low26.6Very low115 Ų115142.8 Ų142.878%0.77784%0.836SS**  trans-174.6145.3162.7-96.40000106.7
7K26Very low27.4Very low193 Ų193141.5 Ų141.584%0.83983%0.833SS**  cis-146.9158.710-119.1163.3-170.5-178.90111.4
8T28Very low27.6Very low124 Ų124137.9 Ų137.976%0.76183%0.831SS**  trans-69.2145.2173.2-26.20000112.2
9E29.1Very low28.3Very low202 Ų202137.6 Ų137.694%0.94483%0.833SS**  trans-137.6147.4136.4-70.5-154.8135.200108.7
10A30.1Very low28.3Very low97 Ų97134.8 Ų134.880%0.80283%0.833SS**  trans-114.1148.8-170.100000111.5
11S27.9Very low28.3Very low132 Ų132132.9 Ų132.992%0.92383%0.83SS**  trans-141.6145.1153.4-157.40000110.6
12S29.1Very low28.6Very low97 Ų97130.8 Ų130.868%0.67882%0.82SS**  trans-90.8150-161.2-178.90000113.3
13C24.6Very low29.3Very low128 Ų128128 Ų12887%0.86581%0.811SS**  trans-161.2100.1140.9-103.40000111.6
14T30.5Very low29.7Very low137 Ų137130.2 Ų130.284%0.8481%0.81SS**  trans-1.3157.9160.6-20.90000123.3
15L27.3Very low30.1Very low153 Ų153131.8 Ų131.880%0.80181%0.808SS**  trans-107.8150.2-167.9-76.6152.3000116.2
16C27.3Very low30.3Very low111 Ų111129.9 Ų129.975%0.7580%0.804SS**  trans66167141-70.90000121.6
17P40.9Very low30.8Very low121 Ų121132.6 Ų132.679%0.78681%0.809SS**  cis-142.9145.3-29.534.1-14.2000118.2
18G31.2Very low31.3Very low78 Ų78128.1 Ų128.180%0.80480%0.802SS**  trans68.5174.8148.100000120.8
19P40.3Very low31.8Very low132 Ų132126 Ų12686%0.85781%0.805SS**  cis-130.1163.9-11.640.9-25.8000115.8
20G27.8Very low32.4Very low81 Ų81123.5 Ų123.584%0.83580%0.798SS**  trans85.9101.2143.900000120.8
21A28.7Very low33.1Very low95 Ų95127.6 Ų127.679%0.78580%0.8SS**  trans-167.9134.1134.100000110.8
22M35.5Very low34Very low183 Ų183128.8 Ų128.890%0.90179%0.794SS**  trans-83.5114.3173-69-96.3-85.300109.3
23L35.3Very low34.3Very low133 Ų133132 Ų13270%0.69680%0.799SS**  trans-124.9119.7166.4-78.3176.2000112H25L23-H25 PolarHBondContact O-N 3.07Å
24F32.5Very low34.9Very low173 Ų173128.9 Ų128.976%0.75979%0.789SS**  trans-6994.4176.234.2-87.1000110.3G26F24-G26 PolarHBondContact O-N 3.49Å
25H32.3Very low35.8Very low180 Ų180129.7 Ų129.783%0.83379%0.786SS**  trans-78.982.3155.1-82.6-75.1000109.1L23 I27L23-H25 PolarHBondContact O-N 3.07Å; H25-I27 PolarHBondContact O-N 3.18Å; H25-I27 VanDerWaalsContact O-N 3.12Å
26G27.7Very low36.6Very low63 Ų63129.8 Ų129.865%0.64978%0.784SS**  trans-59112.1159.100000108F24 S28F24-G26 PolarHBondContact O-N 3.49Å; G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.92Å
27I33.7Very low37.5Very low172 Ų172132.3 Ų132.388%0.88279%0.785SS**  trans-6396.7166.130.3172.9000107.6H25 G29H25-I27 PolarHBondContact O-N 3.18Å; H25-I27 VanDerWaalsContact O-N 3.12Å; I27-G29 PolarHBondContact O-N 2.82Å
28S36.5Very low37.7Very low99 Ų99131.2 Ų131.269%0.69277%0.769SS**  trans-59.7115.7177.539.20000109.6G26 D30G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.92Å; S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 3.48Å
29G40.1Very low38.3Very low80 Ų80134.7 Ų134.783%0.82577%0.767SS**  trans-75.977.6176.100000111.4I27I27-G29 PolarHBondContact O-N 2.82Å
30D41.8Very low38.7Very low148 Ų148135.6 Ų135.679%0.79176%0.76SS**  trans-124.781.3174.4-81.2-51.1000111S28S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 3.48Å
31H43.1Very low39.5Very low184 Ų184140.5 Ų140.585%0.85275%0.753SS**SBendtrans-148.921163.5-160.463.6000113.9
32I47.7Very low40.4Very low156 Ų156144 Ų14480%0.875%0.746SS**SBendtrans-142.453.7-180-38.4176.9000111.6
33Q36.3Very low41Very low165 Ų165139.7 Ų139.777%0.77173%0.73SS**SBendtrans-171.5108.1147.7-151.269.66.800108.4
34G35.4Very low41.3Very low63 Ų63141.4 Ų141.465%0.64973%0.731SS**  trans-1709.8-174.600000118.5
35I50Low41.8Very low153 Ų153137.6 Ų137.679%0.78572%0.722SS**SBendtrans-122.6-14.5-175.4-52.1-178.7000112.7
36M44.4Very low42.3Very low156 Ų156136.4 Ų136.477%0.76872%0.717SS**SBendtrans-86.3-39.4175.7-81175.357.500114.1
37E45.5Very low42.9Very low163 Ų163137.4 Ų137.476%0.76271%0.714SS**Hα-helixtrans-76.9-29.5-173.5-103.5174.9139.400114.4M39 E40 R41E37-M39 VanDerWaalsContact C-N 3.26Å; E37-M39 PolarHBondContact O-N 3.48Å; E37-E40 PolarHBondContact O-N 3.09Å; E37-R41 PolarHBondContact O-N 3.25Å
38E44.8Very low43.7Very low98 Ų98139.9 Ų139.946%0.45871%0.713SS.*Hα-helixtrans-64.3-32177.5-172.465.8-16000111.8R42E38-R42 IonicContact OE1-CZ 3.27Å; E38-R42 IonicContact OE1-NE 3.63Å; E38-R42 IonicContact OE1-NH2 3.13Å; E38-R42 PolarHBondContact OE1-NH2 3.48Å
39M44.6Very low44.2Very low152 Ų152143 Ų14375%0.74972%0.72SS**Hα-helixtrans-70.4-34.4-177.8-157.5-179.8-15800112.5E37E37-M39 VanDerWaalsContact C-N 3.26Å; E37-M39 PolarHBondContact O-N 3.48Å
40E49.3Very low44.5Very low151 Ų151143.5 Ų143.571%0.70672%0.717SS**Hα-helixtrans-83.5-20.9-178.7-166.6162.3-164.900112.9E37 T43E37-E40 PolarHBondContact O-N 3.09Å; E40-T43 PolarHBondContact O-OG1 3.48Å
41R44.3Very low44.5Very low183 Ų183146.6 Ų146.669%0.69172%0.723SS**Hα-helixtrans-73.8-34.5173.4-112.4-172.663.175.63113.3E37 T45E37-R41 PolarHBondContact O-N 3.25Å; R41-T45 PolarHBondContact O-OG1 3.26Å
42R46.9Very low44.2Very low170 Ų170141 Ų14164%0.64272%0.716SS**Hα-helixtrans-72.7-39.2-176.1-76.8-178.51691572.1113.5E38 K44 T45E38-R42 IonicContact OE1-CZ 3.27Å; E38-R42 IonicContact OE1-NE 3.63Å; E38-R42 IonicContact OE1-NH2 3.13Å; E38-R42 PolarHBondContact OE1-NH2 3.48Å; R42-K44 PolarHBondContact O-N 3.13Å; R42-T45 PolarHBondContact O-N 3.09Å; R42-T45 PolarHBondContact O-OG1 2.99Å
43T48.4Very low43.7Very low92 Ų92143.2 Ų143.256%0.56473%0.725SS**Hα-helixtrans-64.5-23.1179.7530000114.1E40 S47E40-T43 PolarHBondContact O-OG1 3.48Å; T43-S47 PolarHBondContact O-OG 3.36Å; T43-S47 VanDerWaalsContact O-OG 3.06Å
44K42.3Very low43.9Very low168 Ų168143.6 Ų143.673%0.7373%0.727SS**Hα-helixtrans-82.8-12179.7-150.8168.2-170168.50114.3R42 S47R42-K44 PolarHBondContact O-N 3.13Å; K44-S47 PolarHBondContact O-OG 3.02Å
45T42.8Very low44.2Very low93 Ų93147.1 Ų147.157%0.57173%0.73SS**Hα-helixtrans-90-44.1178.2-17.80000111.5R41 R42 S47R41-T45 PolarHBondContact O-OG1 3.26Å; R42-T45 PolarHBondContact O-N 3.09Å; R42-T45 PolarHBondContact O-OG1 2.99Å; T45-S47 VanDerWaalsContact C-N 3.29Å; T45-S47 PolarHBondContact O-N 3.49Å
46E41.8Very low43.5Very low156 Ų156147.6 Ų147.673%0.72973%0.734SS**Hα-helixtrans-61.8-33179.7-64.7-73.6104.800113.1R48E46-R48 PolarHBondContact O-N 3.24Å; E46-R48 VanDerWaalsContact O-N 3.11Å
47S41.8Very low43.3Very low84 Ų84143.5 Ų143.559%0.58773%0.732SS**THydrogen-bonded Turntrans-73.1-0.8-173410000115.4T43 K44 T45T43-S47 PolarHBondContact O-OG 3.36Å; T43-S47 VanDerWaalsContact O-OG 3.06Å; K44-S47 PolarHBondContact O-OG 3.02Å; T45-S47 VanDerWaalsContact C-N 3.29Å; T45-S47 PolarHBondContact O-N 3.49Å
48R49.1Very low43.1Very low223 Ų223147.4 Ų147.484%0.84274%0.74SS**THydrogen-bonded Turntrans-98-7.8-179.2-74.9-173.1171.8-170.2-3.6115.7E46E46-R48 PolarHBondContact O-N 3.24Å; E46-R48 VanDerWaalsContact O-N 3.11Å
49L48.2Very low42.8Very low164 Ų164150.7 Ų150.786%0.85976%0.755SS**SBendtrans-103.7-7.8-177.1-78.4161.6000114.8K51L49-K51 PolarHBondContact O-N 3.05Å
50A45.5Very low43Very low91 Ų91149.1 Ų149.175%0.75276%0.759SS**  trans-97.340.7-172.100000115.2
51K41.7Very low42.3Very low213 Ų213148.1 Ų148.193%0.92676%0.764SS**  trans-138.487.8171-86.3-170.2174.7179.80112.3L49L49-K51 PolarHBondContact O-N 3.05Å
52G38Very low42.1Very low67 Ų67148 Ų14869%0.69177%0.773SS**  trans-166.3135.1168.900000111.9
53M36.2Very low41.6Very low202 Ų202145.9 Ų145.9100%0.99578%0.779SS**  trans78.8140.6167.8-48.3-176.678.900117.3
54Q41.8Very low41.3Very low174 Ų174146.6 Ų146.681%0.81379%0.788SS**  trans-132.6150.6-169.4-116.3-178.329.900109.6
55L41.9Very low41.3Very low137 Ų137146 Ų14672%0.71779%0.79SS**  trans60106.8157-58.1173.4000118.8
56N34.5Very low41.2Very low162 Ų162145.1 Ų145.187%0.86679%0.787SS**  -178.715494.4-92.6-31.6000111
57G40.9Very low41.5Very low70 Ų70143.9 Ų143.972%0.72279%0.793SS**  trans-100.1146.7-174.400000114.5
58R41.5Very low42.1Very low245 Ų245147.1 Ų147.193%0.92580%0.799SS**  trans-172.5147.4141.9-108.3164.9170.9162.7-3111.6
59E37.4Very low42.7Very low168 Ų168146 Ų14679%0.78580%0.8SS**  trans26.8116.6165.9-122.3100.3104.400121.2T61E59-T61 PolarHBondContact O-N 3.07Å
60S48.5Very low43.5Very low119 Ų119141.5 Ų141.583%0.83278%0.781SS**  trans12.896.4138-550000118.9
61T35.8Very low45.2Very low130 Ų130138.8 Ų138.880%0.79876%0.758SS**  trans-139.4114.8141.4-65.70000108.6E59 T63E59-T61 PolarHBondContact O-N 3.07Å; T61-T63 PolarHBondContact O-N 2.75Å
62M38.8Very low47.6Very low181 Ų181133 Ų13389%0.89274%0.737SS**  trans-68.6112.6176.459.6-164.4-17600109.9S64M62-S64 PolarHBondContact O-N 2.8Å; M62-S64 VanDerWaalsContact O-N 3.09Å
63T37.6Very low50.2Low124 Ų124129.9 Ų129.976%0.76170%0.704SS**  trans-66.4111.7168.5-53.50000108.2T61 M65T61-T63 PolarHBondContact O-N 2.75Å; T63-M65 PolarHBondContact O-N 3.08Å
64S41.7Very low52.8Low108 Ų108122.7 Ų122.776%0.75568%0.677SS**  trans-63.5100.9179.654.80000110.7M62M62-S64 PolarHBondContact O-N 2.8Å; M62-S64 VanDerWaalsContact O-N 3.09Å
65M41.4Very low55.1Low155 Ų155116.3 Ų116.376%0.76466%0.658SS**  trans-63.9134.7160.6-61.9-87.371.100108T63T63-M65 PolarHBondContact O-N 3.08Å
66S41.4Very low57.5Low74 Ų74113.4 Ų113.452%0.51765%0.648SS.*  trans-52.8157173.433.70000111.4E68S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-OE1 3.14Å
67P47.4Very low60.2Low131 Ų131108 Ų10885%0.85163%0.631SS**  trans-70.178169.931-34.3000109.6K69P67-K69 PolarHBondContact O-N 3.09Å
68E55.2Low62.7Low152 Ų152106.2 Ų106.271%0.7161%0.612SS**  trans-44.7127.6164.5-66.6-66.7107.600107.8S66S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-OE1 3.14Å
69K60.9Low65.2Low198 Ų198101.8 Ų101.886%0.86160%0.599SS**  trans-49.6129.5-166.4-70.6165.8178.7167.80110.3P67 A71P67-K69 PolarHBondContact O-N 3.09Å; K69-A71 PolarHBondContact O-N 2.95Å
70P65.8Low67.7Low71 Ų7195 Ų9546%0.46157%0.568SS.*  trans-58.2134.4-174.424.3-34.3000110.1L72 K79P70-L72 HydrophobicContact CG-CD2 4.31Å; P70-L72 WeakPolarHBondContact O-CG 3.5Å; P70-L72 PolarHBondContact O-N 2.94Å; P70-K79 HydrophobicContact CB-CD 4.11Å; P70-K79 HydrophobicContact CB-CG 4.15Å; P70-K79 HydrophobicContact CG-CD 4.48Å
71A80.6Confident69.7Low34 Ų3494.7 Ų94.728%0.28157%0.566SS.*  trans-53.6104175.300000110.3K69 K79 I80 Q92K69-A71 PolarHBondContact O-N 2.95Å; A71-K79 CarbonylContact O-C 3.57Å; A71-K79 WeakPolarHBondContact O-CA 3.19Å; A71-I80 HydrophobicContact CB-CB 4.27Å; A71-I80 HydrophobicContact CB-CD1 4.45Å; A71-I80 PolarHBondContact O-N 3.02Å; A71-Q92 VanDerWaalsContact CA-OE1 3.29Å
72L92.8Very high72.2Confident92 Ų9292.3 Ų92.348%0.48255%0.549SS..BIsolated β-bridgetrans-97.4129.4178.3-60.1-170.1000109.8P70 A74 G78 K79P70-L72 HydrophobicContact CG-CD2 4.31Å; P70-L72 WeakPolarHBondContact O-CG 3.5Å; P70-L72 PolarHBondContact O-N 2.94Å; L72-A74 PolarHBondContact O-N 3.36Å; L72-G78 WeakPolarHBondContact CA-O 3.34Å; L72-K79 HydrophobicContact CD2-CB 4.37Å; L72-K79 HydrophobicContact CD2-CG 3.7Å
73C93Very high74.5Confident1 Ų194 Ų941%0.00755%0.545CS..  trans-70.1117.6176.5168.90000110.7G75 C76 G77 G78 I80 Q92 H94 C97C73-G75 PolarHBondContact O-N 3.09Å; C73-G75 VanDerWaalsContact O-N 3.09Å; C73-G75 PolarHBondContact SG-N 2.86Å; C73-C76 PolarHBondContact O-N 3.45Å; C73-C76 VanDerWaalsContact O-N 3.11Å; C73-G77 WeakPolarHBondContact O-CA 3.25Å; C73-G77 PolarHBondContact O-N 3.19Å; C73-G78 PolarHBondContact N-O 3.08Å; C73-I80 HydrophobicContact CB-CD1 4.05Å; C73-I80 HydrophobicContact CB-CG1 3.79Å; C73-Q92 CarbonylContact C-O 3.56Å; C73-Q92 WeakPolarHBondContact CA-O 3.47Å; C73-H94 WeakPolarHBondContact CB-CE1 3.32Å; C73-H94 VanDerWaalsContact CB-ND1 3.32Å; C73-H94 WeakPolarHBondContact CB-ND1 3.49Å; C73-H94 PolarHBondContact SG-N 3.49Å; C73-H94 VanDerWaalsContact SG-N 3.36Å; C73-H94 PolarHBondContact SG-ND1 2.87Å; C73-C97 WeakPolarHBondContact SG-CB 3.01Å
74A90.6Very high76.9Confident51 Ų5195.9 Ų95.942%0.42154%0.54SS..THydrogen-bonded Turntrans-59.6-25.1-17900000113.9L72 K91 Q92 W93L72-A74 PolarHBondContact O-N 3.36Å; A74-K91 HydrophobicContact CB-CB 3.9Å; A74-K91 HydrophobicContact CB-CD 3.89Å; A74-K91 HydrophobicContact CB-CG 4.34Å; A74-Q92 PolarHBondContact N-O 3.43Å; A74-W93 HydrophobicContact CB-CD2 4.1Å; A74-W93 HydrophobicContact CB-CE3 4.32Å; A74-W93 HydrophobicContact CB-CH2 3.99Å; A74-W93 HydrophobicContact CB-CZ2 3.75Å; A74-W93 HydrophobicContact CB-CZ3 4.28Å
75G89.5Confident79.2Confident39 Ų3996.2 Ų96.240%0.40253%0.525SS..THydrogen-bonded Turntrans-84.5-11.1178.600000116.1C73 W93C73-G75 PolarHBondContact O-N 3.09Å; C73-G75 VanDerWaalsContact O-N 3.09Å; C73-G75 PolarHBondContact SG-N 2.86Å; G75-W93 VanDerWaalsContact CA-CZ3 3.45Å
76C92.3Very high81.5Confident76 Ų7691 Ų9151%0.51450%0.5SS..THydrogen-bonded Turntrans-146-3.5-179.7690000115.8C73 G78 H94C73-C76 PolarHBondContact O-N 3.45Å; C73-C76 VanDerWaalsContact O-N 3.11Å; C76-G78 PolarHBondContact O-N 2.91Å; C76-H94 VanDerWaalsContact SG-CE1 3.55Å; C76-H94 PolarHBondContact SG-ND1 2.82Å; C76-H94 VanDerWaalsContact SG-ND1 3.42Å
77G90.9Very high83.7Confident50 Ų5093.5 Ų93.552%0.51551%0.507SS..  trans71.5-13.4-176.900000115.5C73C73-G77 WeakPolarHBondContact O-CA 3.25Å; C73-G77 PolarHBondContact O-N 3.19Å
78G93.1Very high85.7Confident31 Ų3187.8 Ų87.832%0.3247%0.471SS..  trans-70152.3-179.700000113.6L72 C73 C76L72-G78 WeakPolarHBondContact CA-O 3.34Å; C73-G78 PolarHBondContact N-O 3.08Å; C76-G78 PolarHBondContact O-N 2.91Å
79K94.1Very high87.2Confident152 Ų15284.2 Ų84.266%0.66146%0.459SS*.BIsolated β-bridgetrans-64.9134.3171.4-62.5-177.3-178.6-179.90110P70 A71 L72 S81P70-K79 HydrophobicContact CB-CD 4.11Å; P70-K79 HydrophobicContact CB-CG 4.15Å; P70-K79 HydrophobicContact CG-CD 4.48Å; A71-K79 CarbonylContact O-C 3.57Å; A71-K79 WeakPolarHBondContact O-CA 3.19Å; L72-K79 HydrophobicContact CD2-CB 4.37Å; L72-K79 HydrophobicContact CD2-CG 3.7Å; K79-S81 PolarHBondContact O-N 2.82Å
80I91.4Very high88.4Confident26 Ų2682.2 Ų82.213%0.13346%0.458CS..  trans-80.8108.6175.4-60.4172000108.8A71 C73 D82 Y85 Q92 H94A71-I80 HydrophobicContact CB-CB 4.27Å; A71-I80 HydrophobicContact CB-CD1 4.45Å; A71-I80 PolarHBondContact O-N 3.02Å; C73-I80 HydrophobicContact CB-CD1 4.05Å; C73-I80 HydrophobicContact CB-CG1 3.79Å; I80-D82 HydrophobicContact CG2-CB 4.36Å; I80-Y85 HydrophobicContact CG2-CD1 4.29Å; I80-Y85 HydrophobicContact CG2-CG 4.3Å; I80-Q92 HydrophobicContact CD1-CB 3.55Å; I80-H94 WeakPolarHBondContact CA-NE2 3.29Å
81S90Very high89.5Confident112 Ų11284.1 Ų84.178%0.78346%0.459SS*.  trans-101.5-2.6170.854.60000113.3K79K79-S81 PolarHBondContact O-N 2.82Å
82D87.1Confident90Very high81 Ų8185.3 Ų85.343%0.43346%0.458SS..  trans-69.5143.6-176.7-68.4-16.2000111.6I80 Y84 H94I80-D82 HydrophobicContact CG2-CB 4.36Å; D82-Y84 WeakPolarHBondContact CB-O 3.31Å; D82-Y84 PolarHBondContact O-N 2.92Å; D82-H94 IonicContact OD2-CD2 4Å; D82-H94 PolarHBondContact OD2-CD2 3.28Å; D82-H94 VanDerWaalsContact OD2-CD2 3.27Å; D82-H94 IonicContact OD2-CG 3.93Å
83R88.3Confident90Very high215 Ų21582 Ų8281%0.81144%0.439SS*.SBendtrans-59.6-30.1173.8-176.8-176-67-175.1-0.3112.6
84Y86.8Confident89.9Confident165 Ų16583.1 Ų83.165%0.64745%0.445SS*.SBendtrans-130.7137.5-179.5-54.8-65.3000109.2D82 L95D82-Y84 WeakPolarHBondContact CB-O 3.31Å; D82-Y84 PolarHBondContact O-N 2.92Å; Y84-L95 VanDerWaalsContact O-CD1 3.3Å; Y84-L95 WeakPolarHBondContact O-CD1 3.49Å
85Y90.5Very high89.9Confident115 Ų11583.7 Ų83.745%0.45144%0.44SS..  trans-139.6163.3176.364.4-94.7000109.7I80 Q92I80-Y85 HydrophobicContact CG2-CD1 4.29Å; I80-Y85 HydrophobicContact CG2-CG 4.3Å; Y85-Q92 HydrophobicContact CD2-CB 4.27Å; Y85-Q92 HydrophobicContact CD2-CG 4.21Å; Y85-Q92 HydrophobicContact CE2-CB 4.48Å; Y85-Q92 HydrophobicContact CE2-CG 3.92Å
86L89.3Confident89.9Confident45 Ų4592.2 Ų92.224%0.23646%0.46CS..EExtended strand (participates in β ladder)trans-100138.7178.1-58.1176.8000109.8Q92 W93 L95 L98 E108L86-Q92 CarbonylContact O-C 3.6Å; L86-Q92 WeakPolarHBondContact O-CA 3.43Å; L86-W93 HydrophobicContact CB-CB 4.41Å; L86-W93 PolarHBondContact N-O 3.47Å; L86-W93 PolarHBondContact O-N 3.16Å; L86-L95 HydrophobicContact CD1-CG 4.35Å; L86-L95 HydrophobicContact CD2-CD1 4.45Å; L86-L95 HydrophobicContact CD2-CG 4.43Å; L86-L95 HydrophobicContact CG-CD1 4.11Å; L86-L95 HydrophobicContact CG-CG 4.16Å; L86-L98 HydrophobicContact CB-CD2 4.37Å; L86-L98 HydrophobicContact CD1-CB 3.9Å; L86-L98 HydrophobicContact CD1-CD2 3.67Å; L86-L98 HydrophobicContact CD1-CG 4.44Å; L86-E108 HydrophobicContact CD1-CB 4.21Å
87L89.1Confident89.9Confident127 Ų12789.8 Ų89.867%0.66544%0.444SS*.EExtended strand (participates in β ladder)trans-108.9117.6170.8-17273.8000108.2K91 Q92L87-K91 WeakPolarHBondContact CA-O 3.49Å; L87-Q92 HydrophobicContact CD1-CG 3.91Å
88A87.8Confident89.9Confident11 Ų1187.8 Ų87.89%0.09142%0.421CS..EExtended strand (participates in β ladder)trans-145.3130.1-179.300000110.1D90 K91 W93 L98A88-D90 VanDerWaalsContact C-N 3.34Å; A88-D90 PolarHBondContact O-N 3.14Å; A88-K91 PolarHBondContact N-O 3.21Å; A88-K91 PolarHBondContact O-N 3.27Å; A88-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 VanDerWaalsContact O-O 3.11Å; A88-W93 PolarHBondContact O-NE1 3.11Å; A88-L98 HydrophobicContact CB-CD1 4.05Å; A88-L98 HydrophobicContact CB-CD2 4.38Å
89V87.7Confident89.9Confident76 Ų7691.4 Ų91.446%0.46143%0.428SS..THydrogen-bonded Turntrans54.648.9179.5-158.10000111.7K91 A115 I120V89-K91 WeakPolarHBondContact O-CG 3.36Å; V89-K91 PolarHBondContact O-N 3.5Å; V89-A115 HydrophobicContact CB-CB 4.47Å; V89-A115 HydrophobicContact CG1-CB 4.09Å; V89-A115 HydrophobicContact CG2-CB 3.51Å; V89-I120 HydrophobicContact CG2-CD1 3.58Å
90D86.4Confident89.9Confident156 Ų15684.1 Ų84.183%0.83440%0.397SS*.THydrogen-bonded Turntrans54.224.6-177.9-51.1-44000114.6A88A88-D90 VanDerWaalsContact C-N 3.34Å; A88-D90 PolarHBondContact O-N 3.14Å
91K88.6Confident89.9Confident112 Ų11284.6 Ų84.649%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-129.7147.6179.3-68.2178.8-164.8-55.60111.1A74 L87 A88 V89 W93A74-K91 HydrophobicContact CB-CB 3.9Å; A74-K91 HydrophobicContact CB-CD 3.89Å; A74-K91 HydrophobicContact CB-CG 4.34Å; L87-K91 WeakPolarHBondContact CA-O 3.49Å; A88-K91 PolarHBondContact N-O 3.21Å; A88-K91 PolarHBondContact O-N 3.27Å; A88-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 VanDerWaalsContact O-O 3.11Å; V89-K91 WeakPolarHBondContact O-CG 3.36Å; V89-K91 PolarHBondContact O-N 3.5Å; K91-W93 PolarHBondContact O-NE1 3.45Å
92Q91.3Very high89.9Confident58 Ų5881.9 Ų81.927%0.27138%0.377SS..EExtended strand (participates in β ladder)trans-93.7143.7178.4-62.6166-34.400110.3A71 C73 A74 I80 Y85 L86 L87A71-Q92 VanDerWaalsContact CA-OE1 3.29Å; C73-Q92 CarbonylContact C-O 3.56Å; C73-Q92 WeakPolarHBondContact CA-O 3.47Å; A74-Q92 PolarHBondContact N-O 3.43Å; I80-Q92 HydrophobicContact CD1-CB 3.55Å; Y85-Q92 HydrophobicContact CD2-CB 4.27Å; Y85-Q92 HydrophobicContact CD2-CG 4.21Å; Y85-Q92 HydrophobicContact CE2-CB 4.48Å; Y85-Q92 HydrophobicContact CE2-CG 3.92Å; L86-Q92 CarbonylContact O-C 3.6Å; L86-Q92 WeakPolarHBondContact O-CA 3.43Å; L87-Q92 HydrophobicContact CD1-CG 3.91Å
93W91.8Very high90.2Very high22 Ų2281.2 Ų81.28%0.08338%0.378CS..EExtended strand (participates in β ladder)trans-141.9139.5-176.3-53.777.9000110.3A74 G75 L86 A88 K91 L98 I120A74-W93 HydrophobicContact CB-CD2 4.1Å; A74-W93 HydrophobicContact CB-CE3 4.32Å; A74-W93 HydrophobicContact CB-CH2 3.99Å; A74-W93 HydrophobicContact CB-CZ2 3.75Å; A74-W93 HydrophobicContact CB-CZ3 4.28Å; G75-W93 VanDerWaalsContact CA-CZ3 3.45Å; L86-W93 HydrophobicContact CB-CB 4.41Å; L86-W93 PolarHBondContact N-O 3.47Å; L86-W93 PolarHBondContact O-N 3.16Å; A88-W93 PolarHBondContact O-NE1 3.11Å; K91-W93 PolarHBondContact O-NE1 3.45Å; W93-L98 HydrophobicContact CB-CB 4.1Å; W93-L98 HydrophobicContact CB-CD1 4.42Å; W93-L98 HydrophobicContact CD2-CD1 3.61Å; W93-L98 HydrophobicContact CE3-CD1 3.99Å; W93-L98 HydrophobicContact CG-CB 4.35Å; W93-L98 HydrophobicContact CG-CD1 3.79Å; W93-L98 HydrophobicContact CZ2-CD1 4.37Å; W93-I120 HydrophobicContact CH2-CG1 3.78Å; W93-I120 HydrophobicContact CZ2-CD1 4.23Å; W93-I120 HydrophobicContact CZ2-CG1 3.77Å
94H91.8Very high90.3Very high26 Ų2677.4 Ų77.412%0.1237%0.367CS..  trans-61.3149.5158.4-53.9114.6000109.2C73 C76 I80 D82 R96 C97 L98C73-H94 WeakPolarHBondContact CB-CE1 3.32Å; C73-H94 VanDerWaalsContact CB-ND1 3.32Å; C73-H94 WeakPolarHBondContact CB-ND1 3.49Å; C73-H94 PolarHBondContact SG-N 3.49Å; C73-H94 VanDerWaalsContact SG-N 3.36Å; C73-H94 PolarHBondContact SG-ND1 2.87Å; C76-H94 VanDerWaalsContact SG-CE1 3.55Å; C76-H94 PolarHBondContact SG-ND1 2.82Å; C76-H94 VanDerWaalsContact SG-ND1 3.42Å; I80-H94 WeakPolarHBondContact CA-NE2 3.29Å; D82-H94 IonicContact OD2-CD2 4Å; D82-H94 PolarHBondContact OD2-CD2 3.28Å; D82-H94 VanDerWaalsContact OD2-CD2 3.27Å; D82-H94 IonicContact OD2-CG 3.93Å; H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3Å; H94-C97 HydrophobicContact CB-CB 3.95Å; H94-C97 WeakPolarHBondContact O-CA 3.4Å; H94-C97 WeakPolarHBondContact O-CB 3.21Å; H94-C97 PolarHBondContact O-N 3.16Å; H94-L98 PolarHBondContact O-N 2.83Å
95L90Very high90.6Very high63 Ų6374 Ų7433%0.3336%0.359SS..G310 helixtrans-50.7-52.2178.3-83.364.5000111.4Y84 L86 C97 L98 E108Y84-L95 VanDerWaalsContact O-CD1 3.3Å; Y84-L95 WeakPolarHBondContact O-CD1 3.49Å; L86-L95 HydrophobicContact CD1-CG 4.35Å; L86-L95 HydrophobicContact CD2-CD1 4.45Å; L86-L95 HydrophobicContact CD2-CG 4.43Å; L86-L95 HydrophobicContact CG-CD1 4.11Å; L86-L95 HydrophobicContact CG-CG 4.16Å; L95-C97 PolarHBondContact O-N 3.32Å; L95-L98 PolarHBondContact O-N 3.41Å; L95-E108 HydrophobicContact CB-CB 4.26Å; L95-E108 WeakPolarHBondContact CB-OE2 3.17Å
96R90.3Very high90.6Very high218 Ų21870.4 Ų70.482%0.82335%0.354SS*.G310 helixtrans-65.9-14.4176.2-69.6169.552.8-152-5.5115.5H94H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3Å
97C91.3Very high90.6Very high25 Ų2568.4 Ų68.417%0.16934%0.343CS..G310 helixtrans-94.2-23-178.5-740000112.9C73 H94 L95 K99C73-C97 WeakPolarHBondContact SG-CB 3.01Å; H94-C97 HydrophobicContact CB-CB 3.95Å; H94-C97 WeakPolarHBondContact O-CA 3.4Å; H94-C97 WeakPolarHBondContact O-CB 3.21Å; H94-C97 PolarHBondContact O-N 3.16Å; L95-C97 PolarHBondContact O-N 3.32Å; C97-K99 PolarHBondContact O-N 2.89Å; C97-K99 VanDerWaalsContact O-N 3.16Å
98L91.4Very high90.3Very high8 Ų867.2 Ų67.24%0.04233%0.334CS..  trans-78.497.8173.6-169.173.8000109.4L86 A88 W93 H94 L95 L107 I120L86-L98 HydrophobicContact CB-CD2 4.37Å; L86-L98 HydrophobicContact CD1-CB 3.9Å; L86-L98 HydrophobicContact CD1-CD2 3.67Å; L86-L98 HydrophobicContact CD1-CG 4.44Å; A88-L98 HydrophobicContact CB-CD1 4.05Å; A88-L98 HydrophobicContact CB-CD2 4.38Å; W93-L98 HydrophobicContact CB-CB 4.1Å; W93-L98 HydrophobicContact CB-CD1 4.42Å; W93-L98 HydrophobicContact CD2-CD1 3.61Å; W93-L98 HydrophobicContact CE3-CD1 3.99Å; W93-L98 HydrophobicContact CG-CB 4.35Å; W93-L98 HydrophobicContact CG-CD1 3.79Å; W93-L98 HydrophobicContact CZ2-CD1 4.37Å; H94-L98 PolarHBondContact O-N 2.83Å; L95-L98 PolarHBondContact O-N 3.41Å; L98-L107 HydrophobicContact CD2-CB 4.19Å; L98-L107 HydrophobicContact CG-CB 4.2Å; L98-L107 PolarHBondContact O-N 3.03Å; L98-I120 HydrophobicContact CD1-CG1 4.38Å; L98-I120 HydrophobicContact CD1-CG2 4.21Å
99K93.4Very high89.9Confident106 Ų10671.1 Ų71.146%0.46136%0.361SS..BIsolated β-bridgetrans-137.9151.7-178.863.3-170.7174.2-172.90111.4C97 C101 L105C97-K99 PolarHBondContact O-N 2.89Å; C97-K99 VanDerWaalsContact O-N 3.16Å; K99-C101 PolarHBondContact O-N 3.22Å; K99-L105 CarbonylContact C-O 3.57Å; K99-L105 WeakPolarHBondContact CA-O 3.44Å; K99-L105 WeakPolarHBondContact CB-O 3.45Å
100C93Very high89.4Confident0 Ų072.1 Ų72.10%036%0.361CS..  trans-60.8133.2173.7179.30000110.7E102 C103 K104 L105 L107 C122 D125C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 PolarHBondContact SG-N 3.19Å; C100-E102 VanDerWaalsContact SG-N 3.37Å; C100-C103 VanDerWaalsContact CB-SG 3.57Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C100-K104 WeakPolarHBondContact O-CA 3.42Å; C100-K104 PolarHBondContact O-N 3.35Å; C100-K104 VanDerWaalsContact O-N 3.14Å; C100-L105 PolarHBondContact N-O 2.88Å; C100-L107 HydrophobicContact CB-CD1 4.47Å; C100-C122 HydrophobicContact CB-CB 3.98Å; C100-C122 PolarHBondContact SG-N 3.42Å; C100-D125 PolarHBondContact SG-OD2 2.9Å; C100-D125 VanDerWaalsContact SG-OD2 3.35Å
101C91.9Very high88.7Confident36 Ų3671.4 Ų71.424%0.24336%0.356CS..THydrogen-bonded Turntrans-67.5-19.1177.565.90000113.3K99 K104 I120 Y121K99-C101 PolarHBondContact O-N 3.22Å; C101-K104 PolarHBondContact O-NZ 2.77Å; C101-I120 PolarHBondContact N-O 3.41Å; C101-I120 PolarHBondContact SG-O 3.11Å; C101-Y121 WeakPolarHBondContact SG-CE1 3.5Å
102E90.8Very high88.3Confident54 Ų5469.9 Ų69.925%0.25236%0.356SS..THydrogen-bonded Turntrans-91.3-84.7177.2-56.6-56.8158.600111.2C100 K104 Y121 D125 R129C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 PolarHBondContact SG-N 3.19Å; C100-E102 VanDerWaalsContact SG-N 3.37Å; E102-K104 PolarHBondContact O-N 3.12Å; E102-Y121 HydrophobicContact CG-CD1 3.83Å; E102-Y121 HydrophobicContact CG-CE1 3.68Å; E102-D125 HydrophobicContact CB-CB 4.06Å; E102-D125 WeakPolarHBondContact CB-OD2 3.31Å; E102-D125 HydrophobicContact CG-CB 4.19Å; E102-R129 VanDerWaalsContact CD-NH2 3.33Å; E102-R129 IonicContact OE1-CZ 3.03Å; E102-R129 IonicContact OE1-NE 3.96Å; E102-R129 PolarHBondContact OE1-NE 3.47Å; E102-R129 IonicContact OE1-NH1 2.67Å; E102-R129 PolarHBondContact OE1-NH1 2.99Å; E102-R129 IonicContact OE1-NH2 3.58Å; E102-R129 IonicContact OE2-CZ 2.99Å; E102-R129 IonicContact OE2-NE 2.66Å; E102-R129 IonicContact OE2-NH1 3.35Å; E102-R129 PolarHBondContact OE2-NH1 3.18Å; E102-R129 IonicContact OE2-NH2 2.71Å; E102-R129 PolarHBondContact OE2-NH2 3.47Å
103C92.1Very high88.2Confident67 Ų6769 Ų6945%0.45336%0.356SS..THydrogen-bonded Turntrans-68.4-4.3-176.963.10000115.6C100 L105 D125C100-C103 VanDerWaalsContact CB-SG 3.57Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C103-L105 PolarHBondContact O-N 2.8Å; C103-L105 WeakPolarHBondContact SG-CB 3.34Å; C103-D125 VanDerWaalsContact CB-OD2 3.26Å; C103-D125 WeakPolarHBondContact CB-OD2 3.16Å; C103-D125 PolarHBondContact N-OD2 3.45Å; C103-D125 PolarHBondContact SG-OD2 2.71Å
104K91.8Very high88.1Confident135 Ų13570.3 Ų70.359%0.58736%0.362SS*.  trans58.38.3-176.1-45.6-52.6-175.7-171.20115.5C100 C101 E102 A106C100-K104 WeakPolarHBondContact O-CA 3.42Å; C100-K104 PolarHBondContact O-N 3.35Å; C100-K104 VanDerWaalsContact O-N 3.14Å; C101-K104 PolarHBondContact O-NZ 2.77Å; E102-K104 PolarHBondContact O-N 3.12Å; K104-A106 PolarHBondContact O-N 2.67Å
105L91.4Very high88.1Confident93 Ų9371 Ų7149%0.48737%0.372SS..  trans-53.6129.8174.3-175.968.1000110.3K99 C100 C103 L107K99-L105 CarbonylContact C-O 3.57Å; K99-L105 WeakPolarHBondContact CA-O 3.44Å; K99-L105 WeakPolarHBondContact CB-O 3.45Å; C100-L105 PolarHBondContact N-O 2.88Å; C103-L105 PolarHBondContact O-N 2.8Å; C103-L105 WeakPolarHBondContact SG-CB 3.34Å; L105-L107 HydrophobicContact CD2-CD2 4.46Å
106A91.6Very high88Confident41 Ų4172.1 Ų72.134%0.33938%0.375SS..BIsolated β-bridgetrans-67.6129.9172.600000109.4K104 E108K104-A106 PolarHBondContact O-N 2.67Å; A106-E108 HydrophobicContact CB-CG 4.41Å
107L89.4Confident87.8Confident2 Ų268.3 Ų68.31%0.0137%0.371CS..  trans-101.616-176.4-57.8177.2000112.1L98 C100 L105 S109 E110 C113 I120 C122L98-L107 HydrophobicContact CD2-CB 4.19Å; L98-L107 HydrophobicContact CG-CB 4.2Å; L98-L107 PolarHBondContact O-N 3.03Å; C100-L107 HydrophobicContact CB-CD1 4.47Å; L105-L107 HydrophobicContact CD2-CD2 4.46Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 2.88Å; L107-E110 HydrophobicContact CB-CB 4.42Å; L107-E110 HydrophobicContact CD2-CB 4.4Å; L107-E110 HydrophobicContact CD2-CG 4.08Å; L107-E110 PolarHBondContact O-N 3.1Å; L107-C113 HydrophobicContact CD1-CB 3.8Å; L107-I120 HydrophobicContact CD1-CG2 3.71Å; L107-C122 HydrophobicContact CD2-CB 3.76Å
108E83.1Confident87.5Confident102 Ų10270.6 Ų70.648%0.47740%0.399SS..SBendtrans-65.6-28.1178.762.7178.9-150.500113.6L86 L95 A106L86-E108 HydrophobicContact CD1-CB 4.21Å; L95-E108 HydrophobicContact CB-CB 4.26Å; L95-E108 WeakPolarHBondContact CB-OE2 3.17Å; A106-E108 HydrophobicContact CB-CG 4.41Å
109S79.6Confident87.4Confident93 Ų9372.5 Ų72.565%0.6541%0.413SS*.SBendtrans-87.7-16.8174.957.10000113.5L107L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 2.88Å
110E76.4Confident87.3Confident97 Ų9767.8 Ų67.845%0.45339%0.393SS..  trans-88.1118.9-175.5-69.3-59.4131.500110.4L107 T112L107-E110 HydrophobicContact CB-CB 4.42Å; L107-E110 HydrophobicContact CD2-CB 4.4Å; L107-E110 HydrophobicContact CD2-CG 4.08Å; L107-E110 PolarHBondContact O-N 3.1Å; E110-T112 PolarHBondContact O-N 2.81Å; E110-T112 VanDerWaalsContact O-N 3.1Å
111L71.8Confident87.2Confident141 Ų14168.7 Ų68.774%0.73840%0.396SS*.SBendtrans-63.1-16.2178-73.9146.4000113.5
112T80.7Confident87.2Confident81 Ų8167.6 Ų67.650%0.49739%0.388SS..  trans-140127.3-178.358.80000110.9E110E110-T112 PolarHBondContact O-N 2.81Å; E110-T112 VanDerWaalsContact O-N 3.1Å
113C88.4Confident87Confident39 Ų3971 Ų7126%0.26440%0.403SS..  trans-114.4156.6165.262.40000109.8L107 I120L107-C113 HydrophobicContact CD1-CB 3.8Å; C113-I120 HydrophobicContact CB-CG2 3.92Å
114F90.3Very high86.7Confident49 Ų4973.8 Ų73.822%0.21541%0.409CS..EExtended strand (participates in β ladder)trans-111.5146.6179.6-66.9-97.5000110I120 Y121 K123 Y126 Y127F114-I120 CarbonylContact O-C 3.59Å; F114-I120 WeakPolarHBondContact O-CA 3.47Å; F114-Y121 PolarHBondContact N-O 2.88Å; F114-Y121 PolarHBondContact O-N 2.88Å; F114-K123 HydrophobicContact CD2-CB 4.28Å; F114-K123 HydrophobicContact CE2-CB 3.8Å; F114-K123 HydrophobicContact CE2-CG 3.87Å; F114-K123 HydrophobicContact CZ-CG 4.42Å; F114-Y126 HydrophobicContact CB-CD1 3.94Å; F114-Y126 HydrophobicContact CB-CD2 3.38Å; F114-Y126 HydrophobicContact CB-CE1 4.42Å; F114-Y126 HydrophobicContact CB-CE2 3.9Å; F114-Y126 HydrophobicContact CB-CG 3.39Å; F114-Y126 AromaticContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD2 4.49Å; F114-Y126 AromaticContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CG 4.01Å; F114-Y126 HydrophobicContact CE1-CD1 4.31Å; F114-Y126 HydrophobicContact CE1-CE1 4.45Å; F114-Y126 AromaticContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD2 4.19Å; F114-Y126 HydrophobicContact CG-CE1 4.34Å; F114-Y126 AromaticContact CG-CG 3.74Å; F114-Y126 HydrophobicContact CG-CG 3.74Å; F114-Y127 HydrophobicContact CE1-CE2 4.42Å; F114-Y127 HydrophobicContact CZ-CE2 4.11Å
115A91.2Very high86.5Confident40 Ų4068.2 Ų68.233%0.33139%0.385SS..EExtended strand (participates in β ladder)trans-128.2134.6-175.500000111V89 S119 I120V89-A115 HydrophobicContact CB-CB 4.47Å; V89-A115 HydrophobicContact CG1-CB 4.09Å; V89-A115 HydrophobicContact CG2-CB 3.51Å; A115-S119 WeakPolarHBondContact CA-O 3.16Å; A115-I120 HydrophobicContact CB-CD1 4Å
116K88.3Confident86.4Confident87 Ų8766.3 Ų66.338%0.37837%0.372SS..EExtended strand (participates in β ladder)trans-144.2129174.5-168.166.9-170.61770108.9G118 S119 Y121 Y126 F130K116-G118 PolarHBondContact O-N 3.03Å; K116-G118 VanDerWaalsContact O-N 3.11Å; K116-S119 PolarHBondContact N-O 3.42Å; K116-S119 WeakPolarHBondContact O-CA 3.37Å; K116-S119 WeakPolarHBondContact O-CB 3.34Å; K116-S119 PolarHBondContact O-N 2.94Å; K116-Y121 HydrophobicContact CB-CD2 4.31Å; K116-Y121 HydrophobicContact CB-CE2 3.89Å; K116-Y126 HydrophobicContact CB-CE2 4.14Å; K116-F130 HydrophobicContact CB-CD2 4.44Å; K116-F130 HydrophobicContact CB-CE2 3.97Å; K116-F130 HydrophobicContact CB-CZ 4.03Å; K116-F130 HydrophobicContact CG-CD1 4.27Å; K116-F130 HydrophobicContact CG-CE1 3.93Å; K116-F130 HydrophobicContact CG-CE2 4.2Å; K116-F130 HydrophobicContact CG-CZ 3.89Å
117D86.8Confident86.1Confident138 Ų13869.2 Ų69.274%0.73838%0.375SS*.THydrogen-bonded Turntrans50.841.2173.5-46.3-28.2000113.2S119D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 2.94Å
118G83.9Confident85.8Confident74 Ų7475.1 Ų75.176%0.76340%0.397SS*.THydrogen-bonded Turntrans79.7-8.3-17800000115.9K116K116-G118 PolarHBondContact O-N 3.03Å; K116-G118 VanDerWaalsContact O-N 3.11Å
119S90.2Very high85.7Confident47 Ų4776.9 Ų76.933%0.32940%0.399SS..EExtended strand (participates in β ladder)trans-95.8142.7178.7-66.80000112.4A115 K116 D117 Y121A115-S119 WeakPolarHBondContact CA-O 3.16Å; K116-S119 PolarHBondContact N-O 3.42Å; K116-S119 WeakPolarHBondContact O-CA 3.37Å; K116-S119 WeakPolarHBondContact O-CB 3.34Å; K116-S119 PolarHBondContact O-N 2.94Å; D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 2.94Å; S119-Y121 WeakPolarHBondContact O-CD2 3.41Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å
120I91.1Very high85.8Confident8 Ų875.7 Ų75.74%0.04138%0.383CS..EExtended strand (participates in β ladder)trans-97.8136.1178.2-55.4-61.1000110.5V89 W93 L98 C101 L107 C113 F114 A115V89-I120 HydrophobicContact CG2-CD1 3.58Å; W93-I120 HydrophobicContact CH2-CG1 3.78Å; W93-I120 HydrophobicContact CZ2-CD1 4.23Å; W93-I120 HydrophobicContact CZ2-CG1 3.77Å; L98-I120 HydrophobicContact CD1-CG1 4.38Å; L98-I120 HydrophobicContact CD1-CG2 4.21Å; C101-I120 PolarHBondContact N-O 3.41Å; C101-I120 PolarHBondContact SG-O 3.11Å; L107-I120 HydrophobicContact CD1-CG2 3.71Å; C113-I120 HydrophobicContact CB-CG2 3.92Å; F114-I120 CarbonylContact O-C 3.59Å; F114-I120 WeakPolarHBondContact O-CA 3.47Å; A115-I120 HydrophobicContact CB-CD1 4Å
121Y91.1Very high86Confident19 Ų1971.9 Ų71.98%0.07537%0.367CS..EExtended strand (participates in β ladder)trans-126.6146.2-178.2-62.4-93.3000110.9C101 E102 F114 K116 S119 D125 Y126 F130C101-Y121 WeakPolarHBondContact SG-CE1 3.5Å; E102-Y121 HydrophobicContact CG-CD1 3.83Å; E102-Y121 HydrophobicContact CG-CE1 3.68Å; F114-Y121 PolarHBondContact N-O 2.88Å; F114-Y121 PolarHBondContact O-N 2.88Å; K116-Y121 HydrophobicContact CB-CD2 4.31Å; K116-Y121 HydrophobicContact CB-CE2 3.89Å; S119-Y121 WeakPolarHBondContact O-CD2 3.41Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å; Y121-D125 HydrophobicContact CD1-CB 4.47Å; Y121-Y126 HydrophobicContact CD2-CD2 4.28Å; Y121-Y126 HydrophobicContact CG-CD2 4.35Å; Y121-F130 AromaticContact CD1-CE2 3.99Å; Y121-F130 HydrophobicContact CD1-CE2 3.99Å; Y121-F130 AromaticContact CD2-CE2 3.93Å; Y121-F130 HydrophobicContact CD2-CE2 3.93Å; Y121-F130 AromaticContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CZ 4.04Å; Y121-F130 AromaticContact CE2-CE2 3.65Å; Y121-F130 HydrophobicContact CE2-CE2 3.65Å; Y121-F130 AromaticContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CG-CE2 4.12Å; Y121-F130 AromaticContact CZ-CE2 3.56Å; Y121-F130 AromaticContact CZ-CZ 3.63Å
122C90.6Very high86.1Confident12 Ų1271.5 Ų71.58%0.08137%0.37CS..  trans-69162.5162.775.50000109.1C100 L107 E124 D125 Y126C100-C122 HydrophobicContact CB-CB 3.98Å; C100-C122 PolarHBondContact SG-N 3.42Å; L107-C122 HydrophobicContact CD2-CB 3.76Å; C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.4Å; C122-D125 PolarHBondContact O-N 2.94Å; C122-D125 PolarHBondContact SG-N 3.28Å; C122-D125 PolarHBondContact SG-OD2 2.76Å; C122-Y126 VanDerWaalsContact O-CB 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.48Å; C122-Y126 PolarHBondContact O-N 3.03Å
123K86.9Confident86.3Confident127 Ų12771.6 Ų71.655%0.55237%0.365SS*.Hα-helixtrans-50.7-47.9177.3-176-179.1177.4-176.80112.1F114 Y127F114-K123 HydrophobicContact CD2-CB 4.28Å; F114-K123 HydrophobicContact CE2-CB 3.8Å; F114-K123 HydrophobicContact CE2-CG 3.87Å; F114-K123 HydrophobicContact CZ-CG 4.42Å; K123-Y127 HydrophobicContact CG-CD2 3.94Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 WeakPolarHBondContact O-CD2 3.35Å; K123-Y127 PolarHBondContact O-N 3.21Å; K123-Y127 VanDerWaalsContact O-N 3.14Å
124E86.6Confident86.3Confident125 Ų12575.2 Ų75.258%0.58437%0.373SS*.Hα-helixtrans-67.7-51-174.5-165.6-178.9156.200112.5C122 Y126 Y127 R128C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.4Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.91Å; E124-Y127 PolarHBondContact O-N 3.38Å; E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.97Å; E124-R128 IonicContact OE1-CZ 3.61Å; E124-R128 IonicContact OE1-NE 3.53Å; E124-R128 IonicContact OE1-NH2 3.52Å; E124-R128 PolarHBondContact OE1-NH2 3.38Å
125D88.1Confident86.4Confident17 Ų1772.9 Ų72.99%0.09136%0.363CS..Hα-helixtrans-65.2-35179.7-74.2-37.8000112.2C100 E102 C103 Y121 C122 R128 R129C100-D125 PolarHBondContact SG-OD2 2.9Å; C100-D125 VanDerWaalsContact SG-OD2 3.35Å; E102-D125 HydrophobicContact CB-CB 4.06Å; E102-D125 WeakPolarHBondContact CB-OD2 3.31Å; E102-D125 HydrophobicContact CG-CB 4.19Å; C103-D125 VanDerWaalsContact CB-OD2 3.26Å; C103-D125 WeakPolarHBondContact CB-OD2 3.16Å; C103-D125 PolarHBondContact N-OD2 3.45Å; C103-D125 PolarHBondContact SG-OD2 2.71Å; Y121-D125 HydrophobicContact CD1-CB 4.47Å; C122-D125 PolarHBondContact O-N 2.94Å; C122-D125 PolarHBondContact SG-N 3.28Å; C122-D125 PolarHBondContact SG-OD2 2.76Å; D125-R128 PolarHBondContact O-N 2.92Å; D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 PolarHBondContact O-N 2.8Å
126Y89.4Confident86.4Confident54 Ų5472.6 Ų72.621%0.21236%0.36CS..Hα-helixtrans-59.9-52.2174-175-96.4000111.3F114 K116 Y121 C122 E124 R129 F130F114-Y126 HydrophobicContact CB-CD1 3.94Å; F114-Y126 HydrophobicContact CB-CD2 3.38Å; F114-Y126 HydrophobicContact CB-CE1 4.42Å; F114-Y126 HydrophobicContact CB-CE2 3.9Å; F114-Y126 HydrophobicContact CB-CG 3.39Å; F114-Y126 AromaticContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD2 4.49Å; F114-Y126 AromaticContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CG 4.01Å; F114-Y126 HydrophobicContact CE1-CD1 4.31Å; F114-Y126 HydrophobicContact CE1-CE1 4.45Å; F114-Y126 AromaticContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD2 4.19Å; F114-Y126 HydrophobicContact CG-CE1 4.34Å; F114-Y126 AromaticContact CG-CG 3.74Å; F114-Y126 HydrophobicContact CG-CG 3.74Å; K116-Y126 HydrophobicContact CB-CE2 4.14Å; Y121-Y126 HydrophobicContact CD2-CD2 4.28Å; Y121-Y126 HydrophobicContact CG-CD2 4.35Å; C122-Y126 VanDerWaalsContact O-CB 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.48Å; C122-Y126 PolarHBondContact O-N 3.03Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.91Å; Y126-R129 PolarHBondContact O-N 3.18Å; Y126-F130 AromaticContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CE2 4.07Å; Y126-F130 AromaticContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CE2 4.44Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.11Å; Y126-F130 WeakPolarHBondContact O-CA 3.45Å; Y126-F130 WeakPolarHBondContact O-CB 2.98Å; Y126-F130 WeakPolarHBondContact O-CD2 3.47Å; Y126-F130 PolarHBondContact O-N 2.95Å
127Y84.8Confident86.6Confident102 Ų10272.6 Ų72.640%0.436%0.358SS..Hα-helixtrans-68.4-35.3176.3-73.7-66.1000112.1F114 K123 E124 R129 S131F114-Y127 HydrophobicContact CE1-CE2 4.42Å; F114-Y127 HydrophobicContact CZ-CE2 4.11Å; K123-Y127 HydrophobicContact CG-CD2 3.94Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 WeakPolarHBondContact O-CD2 3.35Å; K123-Y127 PolarHBondContact O-N 3.21Å; K123-Y127 VanDerWaalsContact O-N 3.14Å; E124-Y127 PolarHBondContact O-N 3.38Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 2.81Å; Y127-S131 WeakPolarHBondContact O-CA 3.19Å; Y127-S131 WeakPolarHBondContact O-CB 3.44Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.32Å
128R82.2Confident86.8Confident126 Ų12668.3 Ų68.348%0.47534%0.338SS..Hα-helixtrans-63.4-33.6178.5-172.8-173.5-71.3-155.80.3112.7E124 D125 R134E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.97Å; E124-R128 IonicContact OE1-CZ 3.61Å; E124-R128 IonicContact OE1-NE 3.53Å; E124-R128 IonicContact OE1-NH2 3.52Å; E124-R128 PolarHBondContact OE1-NH2 3.38Å; D125-R128 PolarHBondContact O-N 2.92Å; R128-R134 PolarHBondContact O-NH1 2.7Å
129R80.5Confident87Confident138 Ų13870.5 Ų70.552%0.52133%0.329SS..Hα-helixtrans-94.1-43.2178.1-70.5-169.8167-145.5-6.2113.8E102 D125 Y126 Y127E102-R129 VanDerWaalsContact CD-NH2 3.33Å; E102-R129 IonicContact OE1-CZ 3.03Å; E102-R129 IonicContact OE1-NE 3.96Å; E102-R129 PolarHBondContact OE1-NE 3.47Å; E102-R129 IonicContact OE1-NH1 2.67Å; E102-R129 PolarHBondContact OE1-NH1 2.99Å; E102-R129 IonicContact OE1-NH2 3.58Å; E102-R129 IonicContact OE2-CZ 2.99Å; E102-R129 IonicContact OE2-NE 2.66Å; E102-R129 IonicContact OE2-NH1 3.35Å; E102-R129 PolarHBondContact OE2-NH1 3.18Å; E102-R129 IonicContact OE2-NH2 2.71Å; E102-R129 PolarHBondContact OE2-NH2 3.47Å; D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 PolarHBondContact O-N 2.8Å; Y126-R129 PolarHBondContact O-N 3.18Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 2.81Å
130F83.6Confident86.9Confident69 Ų6973.2 Ų73.230%0.30334%0.339SS..Hα-helixtrans-111.812.2-169.4-47.8-68.6000114.3K116 Y121 Y126 V132K116-F130 HydrophobicContact CB-CD2 4.44Å; K116-F130 HydrophobicContact CB-CE2 3.97Å; K116-F130 HydrophobicContact CB-CZ 4.03Å; K116-F130 HydrophobicContact CG-CD1 4.27Å; K116-F130 HydrophobicContact CG-CE1 3.93Å; K116-F130 HydrophobicContact CG-CE2 4.2Å; K116-F130 HydrophobicContact CG-CZ 3.89Å; Y121-F130 AromaticContact CD1-CE2 3.99Å; Y121-F130 HydrophobicContact CD1-CE2 3.99Å; Y121-F130 AromaticContact CD2-CE2 3.93Å; Y121-F130 HydrophobicContact CD2-CE2 3.93Å; Y121-F130 AromaticContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CZ 4.04Å; Y121-F130 AromaticContact CE2-CE2 3.65Å; Y121-F130 HydrophobicContact CE2-CE2 3.65Å; Y121-F130 AromaticContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CG-CE2 4.12Å; Y121-F130 AromaticContact CZ-CE2 3.56Å; Y121-F130 AromaticContact CZ-CZ 3.63Å; Y126-F130 AromaticContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CE2 4.07Å; Y126-F130 AromaticContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CE2 4.44Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.11Å; Y126-F130 WeakPolarHBondContact O-CA 3.45Å; Y126-F130 WeakPolarHBondContact O-CB 2.98Å; Y126-F130 WeakPolarHBondContact O-CD2 3.47Å; Y126-F130 PolarHBondContact O-N 2.95Å; F130-V132 PolarHBondContact O-N 3.36Å
131S79.2Confident86.7Confident17 Ų1774.1 Ų74.112%0.11935%0.35CS..  trans-59120.9167.744.60000110.3Y127 Q133 G141Y127-S131 WeakPolarHBondContact O-CA 3.19Å; Y127-S131 WeakPolarHBondContact O-CB 3.44Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.32Å; S131-Q133 PolarHBondContact O-N 3.48Å; S131-G141 VanDerWaalsContact OG-CA 3.22Å; S131-G141 WeakPolarHBondContact OG-CA 3.43Å
132V74.8Confident86.6Confident133 Ų13374.1 Ų74.181%0.80635%0.351SS*.SBendtrans-63.2-21.9178.7-176.30000111.9F130F130-V132 PolarHBondContact O-N 3.36Å
133Q84Confident86.3Confident83 Ų8376 Ų7639%0.38836%0.364SS..  trans-132.1123.3-178.7-63-62.8-29.900110.2S131 I142S131-Q133 PolarHBondContact O-N 3.48Å; Q133-I142 PolarHBondContact O-N 2.78Å
134R89.5Confident86.1Confident114 Ų11475.3 Ų75.343%0.4338%0.383SS..BIsolated β-bridgetrans-112.7143.7175.3-56.2-178.679.3105.33.2109.3R128 A136 H139 L140R128-R134 PolarHBondContact O-NH1 2.7Å; R134-A136 PolarHBondContact O-N 3.11Å; R134-H139 VanDerWaalsContact CZ-O 3.22Å; R134-H139 PolarHBondContact NE-O 2.66Å; R134-H139 PolarHBondContact NH2-O 3.06Å; R134-L140 CarbonylContact C-O 3.6Å; R134-L140 WeakPolarHBondContact CA-O 3.43Å
135C91.7Very high85.9Confident0 Ų074.9 Ų74.90%039%0.393CS..  trans-65.7122.4174.7175.70000110.2R137 C138 H139 L140 I142 V155 H157 C160C135-R137 PolarHBondContact O-N 3.13Å; C135-R137 VanDerWaalsContact O-N 3.1Å; C135-C138 VanDerWaalsContact CB-SG 3.59Å; C135-H139 WeakPolarHBondContact O-CA 3.18Å; C135-H139 PolarHBondContact O-N 2.96Å; C135-L140 PolarHBondContact N-O 3.42Å; C135-I142 HydrophobicContact CB-CD1 4.31Å; C135-I142 HydrophobicContact CB-CG1 4.24Å; C135-V155 CarbonylContact C-O 3.58Å; C135-V155 WeakPolarHBondContact CA-O 3.26Å; C135-H157 VanDerWaalsContact CB-CE1 3.47Å; C135-H157 WeakPolarHBondContact CB-CE1 3.22Å; C135-C160 WeakPolarHBondContact SG-CB 3.41Å
136A92.1Very high86Confident34 Ų3477.8 Ų77.828%0.28141%0.406SS..THydrogen-bonded Turntrans-66.5-12.6-177.700000114.1R134 H139 V155 Y156R134-A136 PolarHBondContact O-N 3.11Å; A136-H139 PolarHBondContact O-CE1 2.84Å; A136-H139 VanDerWaalsContact O-CE1 3.28Å; A136-V155 PolarHBondContact N-O 2.95Å; A136-Y156 HydrophobicContact CB-CD1 4.25Å; A136-Y156 HydrophobicContact CB-CE1 3.7Å; A136-Y156 HydrophobicContact CB-CE2 4.39Å
137R91.9Very high86.1Confident87 Ų8782.3 Ų82.333%0.32843%0.431SS..THydrogen-bonded Turntrans-98.3-39.4178.7179.962.3172.9-161.9-1.9114.9C135 Y156 C160 T164C135-R137 PolarHBondContact O-N 3.13Å; C135-R137 VanDerWaalsContact O-N 3.1Å; R137-Y156 HydrophobicContact CB-CD1 3.9Å; R137-Y156 HydrophobicContact CB-CE1 4.2Å; R137-C160 HydrophobicContact CB-CB 4.06Å; R137-C160 HydrophobicContact CG-CB 4.28Å; R137-T164 PolarHBondContact NH1-OG1 3.48Å; R137-T164 VanDerWaalsContact NH1-OG1 3.08Å
138C91.4Very high86.5Confident48 Ų4879.8 Ų79.832%0.32443%0.426SS..THydrogen-bonded Turntrans-113.9-2.6-178.970.10000114C135 L140 H157 C160C135-C138 VanDerWaalsContact CB-SG 3.59Å; C138-L140 PolarHBondContact O-N 2.81Å; C138-H157 PolarHBondContact SG-CE1 3.28Å; C138-H157 PolarHBondContact SG-ND1 3.14Å; C138-H157 VanDerWaalsContact SG-ND1 3.41Å; C138-C160 VanDerWaalsContact SG-SG 3.67Å
139H88.3Confident87Confident121 Ų12175.4 Ų75.456%0.5641%0.411SS*.  trans57.49178.4-48.6-58.6000116.1R134 C135 A136R134-H139 VanDerWaalsContact CZ-O 3.22Å; R134-H139 PolarHBondContact NE-O 2.66Å; R134-H139 PolarHBondContact NH2-O 3.06Å; C135-H139 WeakPolarHBondContact O-CA 3.18Å; C135-H139 PolarHBondContact O-N 2.96Å; A136-H139 PolarHBondContact O-CE1 2.84Å; A136-H139 VanDerWaalsContact O-CE1 3.28Å
140L87.8Confident87.6Confident104 Ų10476.8 Ų76.855%0.54542%0.416SS..PPolyproline II helixtrans-75.8152.3170.2-60.2177.4000110.8R134 C135 C138R134-L140 CarbonylContact C-O 3.6Å; R134-L140 WeakPolarHBondContact CA-O 3.43Å; C135-L140 PolarHBondContact N-O 3.42Å; C138-L140 PolarHBondContact O-N 2.81Å
141G87.4Confident88Confident27 Ų2773.5 Ų73.528%0.27840%0.402SS..BIsolated β-bridgetrans-71.5135.9175.900000111.5S131S131-G141 VanDerWaalsContact OG-CA 3.22Å; S131-G141 WeakPolarHBondContact OG-CA 3.43Å
142I88.1Confident88.4Confident19 Ų1980 Ų8010%0.09742%0.424CS..PPolyproline II helixtrans-88.7135.4-179.3-51.6-176.9000109.5Q133 C135 E146 V148 V155Q133-I142 PolarHBondContact O-N 2.78Å; C135-I142 HydrophobicContact CB-CD1 4.31Å; C135-I142 HydrophobicContact CB-CG1 4.24Å; I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.48Å; I142-V148 HydrophobicContact CD1-CG1 3.91Å; I142-V148 HydrophobicContact CG2-CG1 3.48Å; I142-V148 VanDerWaalsContact CG2-CG1 3.48Å; I142-V155 HydrophobicContact CD1-CB 3.97Å; I142-V155 HydrophobicContact CD1-CG1 3.48Å; I142-V155 VanDerWaalsContact CD1-CG1 3.48Å
143S84.3Confident89.1Confident51 Ų5181.3 Ų81.336%0.35743%0.427SS..PPolyproline II helixtrans-77.8146.1176.978.40000112.4S145 E146S143-S145 PolarHBondContact O-N 3.28Å; S143-S145 VanDerWaalsContact O-N 3.14Å; S143-S145 PolarHBondContact OG-OG 3.4Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 2.99Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 PolarHBondContact OG-N 3.49Å
144A82.4Confident89.5Confident113 Ų11378.4 Ų78.493%0.93442%0.416SS*.THydrogen-bonded Turntrans-64.5-19.2-178.500000114.2
145S82.9Confident89.6Confident115 Ų11573.4 Ų73.480%0.80440%0.398SS*.THydrogen-bonded Turntrans-89.5-11175.746.70000114S143S143-S145 PolarHBondContact O-N 3.28Å; S143-S145 VanDerWaalsContact O-N 3.14Å; S143-S145 PolarHBondContact OG-OG 3.4Å
146E89.3Confident89.7Confident79 Ų7973.6 Ų73.637%0.36940%0.398SS..SBendtrans-87.9137.1-175.6176.6173.5-170.800111.3I142 S143 H157I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.48Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 2.99Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 PolarHBondContact OG-N 3.49Å; E146-H157 IonicContact OE1-CD2 3.47Å; E146-H157 PolarHBondContact OE1-CD2 3.23Å; E146-H157 IonicContact OE1-CG 3.66Å; E146-H157 IonicContact OE2-CD2 3.63Å; E146-H157 IonicContact OE2-NE2 3.45Å
147M91.1Very high89.8Confident149 Ų14972.7 Ų72.773%0.73439%0.388SS*.  trans-70.7143.2172.7-65.1-172.371.300110L158M147-L158 VanDerWaalsContact C-CD1 3.46Å; M147-L158 HydrophobicContact CB-CD1 3.93Å; M147-L158 WeakPolarHBondContact O-CD1 3.47Å
148V93.6Very high89.9Confident48 Ų4872.5 Ų72.529%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-126.7149.9-177.4-670000112I142 R150 V155 Y156I142-V148 HydrophobicContact CD1-CG1 3.91Å; I142-V148 HydrophobicContact CG2-CG1 3.48Å; I142-V148 VanDerWaalsContact CG2-CG1 3.48Å; V148-R150 HydrophobicContact CG2-CG 4.14Å; V148-V155 HydrophobicContact CB-CG1 3.59Å; V148-V155 HydrophobicContact CG1-CG1 3.73Å; V148-V155 HydrophobicContact CG2-CG1 3.85Å; V148-Y156 WeakPolarHBondContact CA-O 3.15Å
149M93.4Very high90.1Very high34 Ų3474.4 Ų74.417%0.16741%0.407CS..EExtended strand (participates in β ladder)trans-89.2134.8159.1-160657000109Y156 F161M149-Y156 PolarHBondContact N-O 3.14Å; M149-Y156 PolarHBondContact O-N 3.04Å; M149-F161 HydrophobicContact CB-CB 3.95Å; M149-F161 HydrophobicContact CB-CD1 4.29Å; M149-F161 HydrophobicContact CB-CD2 3.82Å; M149-F161 HydrophobicContact CB-CE2 4.39Å; M149-F161 HydrophobicContact CB-CG 3.75Å; M149-F161 HydrophobicContact CE-CD1 4.23Å; M149-F161 HydrophobicContact CG-CB 4.25Å; M149-F161 HydrophobicContact CG-CD1 3.63Å; M149-F161 HydrophobicContact CG-CD2 3.63Å; M149-F161 HydrophobicContact CG-CE1 3.79Å; M149-F161 HydrophobicContact CG-CE2 3.77Å; M149-F161 HydrophobicContact CG-CG 3.55Å; M149-F161 HydrophobicContact CG-CZ 3.85Å
150R93.1Very high90.4Very high167 Ų16769.6 Ų69.663%0.6339%0.387SS*.EExtended strand (participates in β ladder)trans-116.8129.2174.2-69.5-178.2174.5-115.62109V148 V155V148-R150 HydrophobicContact CG2-CG 4.14Å; R150-V155 HydrophobicContact CG-CG1 4.27Å; R150-V155 HydrophobicContact CG-CG2 4.35Å
151A90.9Very high90.8Very high1 Ų164.7 Ų64.71%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-140.9113.7177.100000108.8D153 S154 Y156 F161 F176 M178A151-D153 PolarHBondContact O-N 3.14Å; A151-S154 PolarHBondContact N-O 3.41Å; A151-S154 PolarHBondContact O-N 3.33Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-Y156 HydrophobicContact CB-CE2 4.34Å; A151-F161 HydrophobicContact CB-CE2 3.92Å; A151-F161 HydrophobicContact CB-CZ 4.22Å; A151-F176 HydrophobicContact CB-CE2 4.08Å; A151-F176 HydrophobicContact CB-CZ 4.05Å; A151-M178 HydrophobicContact CB-CE 3.47Å; A151-M178 VanDerWaalsContact CB-CE 3.47Å; A151-M178 HydrophobicContact CB-SD 4.5Å
152R88.4Confident91.2Very high154 Ų15464.4 Ų64.458%0.58135%0.354SS*.THydrogen-bonded Turntrans50.2-131.8-163.3-56.4-178.1179.8173.11.6109.7S154 M178R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.31Å; R152-M178 HydrophobicContact CG-SD 4.28Å
153D88.9Confident91.6Very high159 Ų15963.5 Ų63.585%0.8535%0.349SS*.THydrogen-bonded Turntrans-85-1.1-178.3-46.3-69.1000113.4A151A151-D153 PolarHBondContact O-N 3.14Å
154S92.3Very high92.1Very high23 Ų2363 Ų6316%0.16134%0.344CS..EExtended strand (participates in β ladder)trans-98.2139.8-178.9-68.20000112.7A151 R152 Y156A151-S154 PolarHBondContact N-O 3.41Å; A151-S154 PolarHBondContact O-N 3.33Å; A151-S154 VanDerWaalsContact O-N 3.16Å; R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.31Å; S154-Y156 VanDerWaalsContact CB-CE2 3.48Å; S154-Y156 WeakPolarHBondContact CB-OH 3.48Å
155V92.8Very high92.7Very high8 Ų861.6 Ų61.65%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-113.8142.9177.8-165.20000109.8C135 A136 I142 V148 R150C135-V155 CarbonylContact C-O 3.58Å; C135-V155 WeakPolarHBondContact CA-O 3.26Å; A136-V155 PolarHBondContact N-O 2.95Å; I142-V155 HydrophobicContact CD1-CB 3.97Å; I142-V155 HydrophobicContact CD1-CG1 3.48Å; I142-V155 VanDerWaalsContact CD1-CG1 3.48Å; V148-V155 HydrophobicContact CB-CG1 3.59Å; V148-V155 HydrophobicContact CG1-CG1 3.73Å; V148-V155 HydrophobicContact CG2-CG1 3.85Å; R150-V155 HydrophobicContact CG-CG1 4.27Å; R150-V155 HydrophobicContact CG-CG2 4.35Å
156Y93.3Very high93.3Very high4 Ų458.8 Ų58.82%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-137.7146.4-177.4-54.3-103000110.2A136 R137 V148 M149 A151 S154 F161 M178 S181 V183A136-Y156 HydrophobicContact CB-CD1 4.25Å; A136-Y156 HydrophobicContact CB-CE1 3.7Å; A136-Y156 HydrophobicContact CB-CE2 4.39Å; R137-Y156 HydrophobicContact CB-CD1 3.9Å; R137-Y156 HydrophobicContact CB-CE1 4.2Å; V148-Y156 WeakPolarHBondContact CA-O 3.15Å; M149-Y156 PolarHBondContact N-O 3.14Å; M149-Y156 PolarHBondContact O-N 3.04Å; A151-Y156 HydrophobicContact CB-CE2 4.34Å; S154-Y156 VanDerWaalsContact CB-CE2 3.48Å; S154-Y156 WeakPolarHBondContact CB-OH 3.48Å; Y156-F161 HydrophobicContact CD1-CD2 4.29Å; Y156-F161 AromaticContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CE2 4.01Å; Y156-F161 HydrophobicContact CE2-CD2 4.31Å; Y156-F161 HydrophobicContact CE2-CE2 4.21Å; Y156-F161 AromaticContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CE2 4.45Å; Y156-M178 HydrophobicContact CE2-CE 4.11Å; Y156-M178 WeakPolarHBondContact OH-CE 3.21Å; Y156-S181 PolarHBondContact OH-O 3.42Å; Y156-V183 HydrophobicContact CE1-CG2 4.14Å; Y156-V183 HydrophobicContact CE2-CG2 4.47Å
157H94.4Very high93.6Very high15 Ų1560.2 Ų60.27%0.06931%0.314CS..EExtended strand (participates in β ladder)trans-61.7151.2160.4-48.6126000109.5C135 C138 E146 S159 C160 F161C135-H157 VanDerWaalsContact CB-CE1 3.47Å; C135-H157 WeakPolarHBondContact CB-CE1 3.22Å; C138-H157 PolarHBondContact SG-CE1 3.28Å; C138-H157 PolarHBondContact SG-ND1 3.14Å; C138-H157 VanDerWaalsContact SG-ND1 3.41Å; E146-H157 IonicContact OE1-CD2 3.47Å; E146-H157 PolarHBondContact OE1-CD2 3.23Å; E146-H157 IonicContact OE1-CG 3.66Å; E146-H157 IonicContact OE2-CD2 3.63Å; E146-H157 IonicContact OE2-NE2 3.45Å; H157-S159 VanDerWaalsContact C-N 3.25Å; H157-S159 PolarHBondContact O-N 3.04Å; H157-C160 HydrophobicContact CB-CB 4.01Å; H157-C160 PolarHBondContact ND1-SG 3.35Å; H157-C160 VanDerWaalsContact ND1-SG 3.4Å; H157-C160 CarbonylContact O-C 3.6Å; H157-C160 WeakPolarHBondContact O-CA 3.18Å; H157-C160 PolarHBondContact O-N 3.37Å; H157-F161 PolarHBondContact O-N 3.43Å; H157-F161 VanDerWaalsContact O-N 3.11Å
158L94.1Very high93.7Very high83 Ų8358.4 Ų58.444%0.43530%0.302SS..G310 helixtrans-56.2-40.5175.7-91.565.6000112.1M147 C160 F161M147-L158 VanDerWaalsContact C-CD1 3.46Å; M147-L158 HydrophobicContact CB-CD1 3.93Å; M147-L158 WeakPolarHBondContact O-CD1 3.47Å; L158-C160 PolarHBondContact O-N 3.28Å; L158-F161 PolarHBondContact O-N 3.27Å
159S94.8Very high93.8Very high88 Ų8859.5 Ų59.562%0.61531%0.309SS*.G310 helixtrans-68.2-21.517654.60000114H157H157-S159 VanDerWaalsContact C-N 3.25Å; H157-S159 PolarHBondContact O-N 3.04Å
160C94.9Very high93.8Very high20 Ų2058 Ų5814%0.13530%0.302CS..G310 helixtrans-97.1-6.3-179.3-66.10000113.4C135 R137 C138 H157 L158 T162C135-C160 WeakPolarHBondContact SG-CB 3.41Å; R137-C160 HydrophobicContact CB-CB 4.06Å; R137-C160 HydrophobicContact CG-CB 4.28Å; C138-C160 VanDerWaalsContact SG-SG 3.67Å; H157-C160 HydrophobicContact CB-CB 4.01Å; H157-C160 PolarHBondContact ND1-SG 3.35Å; H157-C160 VanDerWaalsContact ND1-SG 3.4Å; H157-C160 CarbonylContact O-C 3.6Å; H157-C160 WeakPolarHBondContact O-CA 3.18Å; H157-C160 PolarHBondContact O-N 3.37Å; L158-C160 PolarHBondContact O-N 3.28Å; C160-T162 PolarHBondContact O-N 2.79Å
161F96Very high93.8Very high2 Ų254.1 Ų54.11%0.00930%0.297CS..  trans-84.968.4177.2-161-105.1000110.5M149 A151 Y156 H157 L158 L170 F176 V183M149-F161 HydrophobicContact CB-CB 3.95Å; M149-F161 HydrophobicContact CB-CD1 4.29Å; M149-F161 HydrophobicContact CB-CD2 3.82Å; M149-F161 HydrophobicContact CB-CE2 4.39Å; M149-F161 HydrophobicContact CB-CG 3.75Å; M149-F161 HydrophobicContact CE-CD1 4.23Å; M149-F161 HydrophobicContact CG-CB 4.25Å; M149-F161 HydrophobicContact CG-CD1 3.63Å; M149-F161 HydrophobicContact CG-CD2 3.63Å; M149-F161 HydrophobicContact CG-CE1 3.79Å; M149-F161 HydrophobicContact CG-CE2 3.77Å; M149-F161 HydrophobicContact CG-CG 3.55Å; M149-F161 HydrophobicContact CG-CZ 3.85Å; A151-F161 HydrophobicContact CB-CE2 3.92Å; A151-F161 HydrophobicContact CB-CZ 4.22Å; Y156-F161 HydrophobicContact CD1-CD2 4.29Å; Y156-F161 AromaticContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CE2 4.01Å; Y156-F161 HydrophobicContact CE2-CD2 4.31Å; Y156-F161 HydrophobicContact CE2-CE2 4.21Å; Y156-F161 AromaticContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CE2 4.45Å; H157-F161 PolarHBondContact O-N 3.43Å; H157-F161 VanDerWaalsContact O-N 3.11Å; L158-F161 PolarHBondContact O-N 3.27Å; F161-L170 HydrophobicContact CD1-CB 3.69Å; F161-L170 WeakPolarHBondContact CD1-O 3.18Å; F161-L170 HydrophobicContact CE1-CB 3.83Å; F161-L170 HydrophobicContact CE1-CD1 4.47Å; F161-L170 PolarHBondContact O-N 2.66Å; F161-F176 HydrophobicContact CE1-CD1 4.06Å; F161-F176 HydrophobicContact CE1-CD2 4.49Å; F161-F176 HydrophobicContact CE1-CE1 4.11Å; F161-F176 HydrophobicContact CE1-CG 4.24Å; F161-F176 HydrophobicContact CE1-CZ 4.35Å; F161-F176 HydrophobicContact CZ-CD1 4.11Å; F161-F176 AromaticContact CZ-CD2 3.92Å; F161-F176 HydrophobicContact CZ-CD2 3.92Å; F161-F176 AromaticContact CZ-CE1 3.88Å; F161-F176 HydrophobicContact CZ-CE1 3.88Å; F161-F176 AromaticContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CG 4.12Å; F161-F176 AromaticContact CZ-CZ 3.66Å; F161-F176 HydrophobicContact CZ-CZ 3.66Å; F161-V183 HydrophobicContact CD2-CG2 4.09Å; F161-V183 HydrophobicContact CE1-CG1 4.22Å; F161-V183 HydrophobicContact CE2-CB 4.47Å; F161-V183 HydrophobicContact CE2-CG1 4.05Å; F161-V183 HydrophobicContact CE2-CG2 3.62Å; F161-V183 HydrophobicContact CZ-CG1 3.87Å; F161-V183 HydrophobicContact CZ-CG2 4.21Å
162T96.2Very high93.8Very high20 Ų2060.2 Ų60.212%0.12333%0.334CS..BIsolated β-bridgetrans-116.3149.9-174.8540000111.4C160 T164 N167 K168 T169C160-T162 PolarHBondContact O-N 2.79Å; T162-T164 PolarHBondContact O-N 3.09Å; T162-N167 WeakPolarHBondContact CG2-O 3.46Å; T162-K168 CarbonylContact C-O 3.56Å; T162-K168 WeakPolarHBondContact CA-O 3.49Å; T162-T169 HydrophobicContact CG2-CG2 4.45Å
163C95.7Very high93.9Very high0 Ų056 Ų560%034%0.339CS..  trans-63127.4171.7175.10000110.6T165 C166 N167 K168 L170 V183 C185C163-T165 PolarHBondContact O-N 2.78Å; C163-C166 PolarHBondContact O-N 3.05Å; C163-N167 WeakPolarHBondContact O-CA 3.16Å; C163-N167 PolarHBondContact O-N 3.04Å; C163-K168 PolarHBondContact N-O 3.38Å; C163-L170 HydrophobicContact CB-CD1 4.45Å; C163-V183 CarbonylContact C-O 3.49Å; C163-C185 HydrophobicContact CB-CB 4.04Å; C163-C185 PolarHBondContact SG-N 3.36Å
164T95.2Very high94Very high41 Ų4150.6 Ų50.625%0.25231%0.309SS..THydrogen-bonded Turntrans-63.1-27.7-177.4-60.20000113.4R137 T162 V183 Y184R137-T164 PolarHBondContact NH1-OG1 3.48Å; R137-T164 VanDerWaalsContact NH1-OG1 3.08Å; T162-T164 PolarHBondContact O-N 3.09Å; T164-V183 PolarHBondContact N-O 3.32Å; T164-V183 PolarHBondContact OG1-O 3.11Å; T164-Y184 HydrophobicContact CG2-CE1 4.5Å
165T94.9Very high94Very high83 Ų8353.5 Ų53.551%0.50932%0.32SS..THydrogen-bonded Turntrans-85.9-37.9-177.4-46.30000113.8C163 Y184 H188C163-T165 PolarHBondContact O-N 2.78Å; T165-Y184 WeakPolarHBondContact OG1-CD1 3.47Å; T165-H188 HydrophobicContact CG2-CB 4.36Å
166C95.6Very high94.1Very high56 Ų5653.8 Ų53.838%0.37832%0.321SS..THydrogen-bonded Turntrans-124.45.3-173.866.60000114.7C163 K168 H188C163-C166 PolarHBondContact O-N 3.05Å; C166-K168 PolarHBondContact O-N 3.29Å; C166-H188 VanDerWaalsContact CB-CE1 3.44Å; C166-H188 WeakPolarHBondContact CB-CE1 3.4Å; C166-H188 PolarHBondContact SG-CE1 3.1Å; C166-H188 PolarHBondContact SG-ND1 3.4Å
167N95.5Very high94.1Very high109 Ų10953.6 Ų53.658%0.58332%0.32SS*.  trans55.59.1-177.9-59.2-43.4000115.9T162 C163 T169T162-N167 WeakPolarHBondContact CG2-O 3.46Å; C163-N167 WeakPolarHBondContact O-CA 3.16Å; C163-N167 PolarHBondContact O-N 3.04Å; N167-T169 PolarHBondContact O-N 3.16Å
168K94.4Very high94Very high112 Ų11253.6 Ų53.649%0.48732%0.32SS..  trans-60.2121.3175.4-167.1-161.7-178.6-157.60109.9T162 C163 C166 D174T162-K168 CarbonylContact C-O 3.56Å; T162-K168 WeakPolarHBondContact CA-O 3.49Å; C163-K168 PolarHBondContact N-O 3.38Å; C166-K168 PolarHBondContact O-N 3.29Å; K168-D174 IonicContact NZ-OD1 3.65Å
169T94.8Very high93.8Very high70 Ų7054.4 Ų54.443%0.42932%0.32SS..BIsolated β-bridgetrans-62.7137.6170-44.90000110.3T162 N167T162-T169 HydrophobicContact CG2-CG2 4.45Å; N167-T169 PolarHBondContact O-N 3.16Å
170L93.7Very high93.4Very high3 Ų356.3 Ų56.32%0.01632%0.324CS..  trans-112.8134.5-179.1-65.7157000108.7F161 C163 D174 F176 V183 C185F161-L170 HydrophobicContact CD1-CB 3.69Å; F161-L170 WeakPolarHBondContact CD1-O 3.18Å; F161-L170 HydrophobicContact CE1-CB 3.83Å; F161-L170 HydrophobicContact CE1-CD1 4.47Å; F161-L170 PolarHBondContact O-N 2.66Å; C163-L170 HydrophobicContact CB-CD1 4.45Å; L170-D174 HydrophobicContact CB-CB 4.35Å; L170-D174 HydrophobicContact CD2-CB 3.86Å; L170-F176 HydrophobicContact CD1-CB 3.74Å; L170-F176 HydrophobicContact CD2-CB 4.39Å; L170-V183 HydrophobicContact CD1-CG1 3.59Å; L170-C185 HydrophobicContact CD2-CB 3.93Å
171T93.5Very high93Very high86 Ų8658.6 Ų58.653%0.52834%0.34SS..  trans-121.4172.1-17363.40000111.4G173 D174T171-G173 PolarHBondContact O-N 2.99Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.26Å; T171-D174 PolarHBondContact O-N 3.03Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å
172T90.3Very high92.7Very high128 Ų12861.6 Ų61.679%0.78536%0.356SS*.THydrogen-bonded Turntrans-60.5111.4178.8-51.70000110.8
173G89.7Confident92.7Very high66 Ų6660.9 Ų60.968%0.6835%0.351SS*.THydrogen-bonded Turntrans109.9-16.7-175.200000114.4T171T171-G173 PolarHBondContact O-N 2.99Å
174D92.3Very high92.6Very high45 Ų4562 Ų6224%0.24136%0.356CS..  trans-67.8146.5171-83.5-64.1000111.4K168 L170 T171K168-D174 IonicContact NZ-OD1 3.65Å; L170-D174 HydrophobicContact CB-CB 4.35Å; L170-D174 HydrophobicContact CD2-CB 3.86Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.26Å; T171-D174 PolarHBondContact O-N 3.03Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å
175H92.7Very high92.6Very high84 Ų8460.8 Ų60.839%0.38935%0.349SS..  trans-88.9116.7175.6-73.757.4000111.5R186 Y218H175-R186 HydrophobicContact CB-CB 3.99Å; H175-R186 PolarHBondContact O-N 3.31Å; H175-Y218 WeakPolarHBondContact CA-OH 3.32Å; H175-Y218 HydrophobicContact CB-CE2 3.56Å; H175-Y218 AromaticContact CD2-CE1 3.53Å; H175-Y218 AromaticContact CD2-CE2 3.9Å; H175-Y218 AromaticContact CD2-CZ 3.56Å; H175-Y218 AromaticContact CG-CZ 3.75Å
176F94.6Very high92.5Very high15 Ų1563.8 Ų63.87%0.06635%0.351CS..EExtended strand (participates in β ladder)trans-129.7151.9176.878.9-88.9000114.1A151 F161 L170 V183 Y184 Y218 F219A151-F176 HydrophobicContact CB-CE2 4.08Å; A151-F176 HydrophobicContact CB-CZ 4.05Å; F161-F176 HydrophobicContact CE1-CD1 4.06Å; F161-F176 HydrophobicContact CE1-CD2 4.49Å; F161-F176 HydrophobicContact CE1-CE1 4.11Å; F161-F176 HydrophobicContact CE1-CG 4.24Å; F161-F176 HydrophobicContact CE1-CZ 4.35Å; F161-F176 HydrophobicContact CZ-CD1 4.11Å; F161-F176 AromaticContact CZ-CD2 3.92Å; F161-F176 HydrophobicContact CZ-CD2 3.92Å; F161-F176 AromaticContact CZ-CE1 3.88Å; F161-F176 HydrophobicContact CZ-CE1 3.88Å; F161-F176 AromaticContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CG 4.12Å; F161-F176 AromaticContact CZ-CZ 3.66Å; F161-F176 HydrophobicContact CZ-CZ 3.66Å; L170-F176 HydrophobicContact CD1-CB 3.74Å; L170-F176 HydrophobicContact CD2-CB 4.39Å; F176-V183 HydrophobicContact CB-CG1 4.35Å; F176-V183 HydrophobicContact CD2-CG1 4.03Å; F176-V183 HydrophobicContact CG-CG1 4.44Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å; F176-Y184 VanDerWaalsContact CB-O 3.31Å; F176-Y184 WeakPolarHBondContact CB-O 3.45Å; F176-Y218 VanDerWaalsContact N-CE2 3.28Å; F176-Y218 PolarHBondContact N-OH 3.19Å; F176-Y218 WeakPolarHBondContact O-CE2 3.41Å; F176-Y218 PolarHBondContact O-OH 3.44Å; F176-F219 HydrophobicContact CE1-CD1 4.18Å; F176-F219 HydrophobicContact CE2-CD1 4.12Å; F176-F219 AromaticContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CE1 4.07Å
177G92.8Very high92.5Very high0 Ų066.7 Ų66.70%036%0.362CS..EExtended strand (participates in β ladder)trans-115165.3167.100000111.5Y184G177-Y184 PolarHBondContact N-O 2.86Å; G177-Y184 PolarHBondContact O-N 2.85Å
178M92.6Very high92.4Very high14 Ų1463.9 Ų63.97%0.06935%0.345CS..EExtended strand (participates in β ladder)trans-140.8131.6-178.3177.1-179.1-83.400111A151 R152 Y156 L182 V183A151-M178 HydrophobicContact CB-CE 3.47Å; A151-M178 VanDerWaalsContact CB-CE 3.47Å; A151-M178 HydrophobicContact CB-SD 4.5Å; R152-M178 HydrophobicContact CG-SD 4.28Å; Y156-M178 HydrophobicContact CE2-CE 4.11Å; Y156-M178 WeakPolarHBondContact OH-CE 3.21Å; M178-L182 VanDerWaalsContact CA-O 3.29Å; M178-L182 WeakPolarHBondContact CA-O 3.36Å; M178-V183 HydrophobicContact CE-CG2 3.76Å
179K89.9Confident92.4Very high100 Ų10059.4 Ų59.444%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-138.7135.3174.2-168.2-167.4172.7-175.80108.2S181 L182 Y184 F189 L192K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact N-O 2.9Å; K179-L182 VanDerWaalsContact N-O 3.09Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 WeakPolarHBondContact O-CB 3.49Å; K179-L182 PolarHBondContact O-N 3.33Å; K179-Y184 HydrophobicContact CB-CE2 4.34Å; K179-F189 HydrophobicContact CB-CE2 4.33Å; K179-L192 HydrophobicContact CD-CD2 3.56Å
180D86.4Confident92.3Very high129 Ų12959.2 Ų59.269%0.6932%0.32SS*.THydrogen-bonded Turntrans51.539.7176.3-47-35.9000113.8L182D180-L182 PolarHBondContact O-N 2.91Å; D180-L182 VanDerWaalsContact O-N 3.08Å
181S85.4Confident92.2Very high67 Ų6763.2 Ų63.247%0.46934%0.344SS..THydrogen-bonded Turntrans59.48.6-172.2-58.60000115.9Y156 K179Y156-S181 PolarHBondContact OH-O 3.42Å; K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 VanDerWaalsContact O-N 3.14Å
182L91.6Very high91.9Very high66 Ų6662.2 Ų62.235%0.34634%0.336SS..EExtended strand (participates in β ladder)trans-89.9136.3170-61175.5000110.5M178 K179 D180 Y184M178-L182 VanDerWaalsContact CA-O 3.29Å; M178-L182 WeakPolarHBondContact CA-O 3.36Å; K179-L182 PolarHBondContact N-O 2.9Å; K179-L182 VanDerWaalsContact N-O 3.09Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 WeakPolarHBondContact O-CB 3.49Å; K179-L182 PolarHBondContact O-N 3.33Å; D180-L182 PolarHBondContact O-N 2.91Å; D180-L182 VanDerWaalsContact O-N 3.08Å; L182-Y184 HydrophobicContact CB-CE2 3.63Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.4Å; L182-Y184 WeakPolarHBondContact O-CD2 3.45Å
183V94.4Very high91.7Very high5 Ų559.5 Ų59.53%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-95.2138.5179.1-178.50000109.7Y156 F161 C163 T164 L170 F176 M178Y156-V183 HydrophobicContact CE1-CG2 4.14Å; Y156-V183 HydrophobicContact CE2-CG2 4.47Å; F161-V183 HydrophobicContact CD2-CG2 4.09Å; F161-V183 HydrophobicContact CE1-CG1 4.22Å; F161-V183 HydrophobicContact CE2-CB 4.47Å; F161-V183 HydrophobicContact CE2-CG1 4.05Å; F161-V183 HydrophobicContact CE2-CG2 3.62Å; F161-V183 HydrophobicContact CZ-CG1 3.87Å; F161-V183 HydrophobicContact CZ-CG2 4.21Å; C163-V183 CarbonylContact C-O 3.49Å; T164-V183 PolarHBondContact N-O 3.32Å; T164-V183 PolarHBondContact OG1-O 3.11Å; L170-V183 HydrophobicContact CD1-CG1 3.59Å; F176-V183 HydrophobicContact CB-CG1 4.35Å; F176-V183 HydrophobicContact CD2-CG1 4.03Å; F176-V183 HydrophobicContact CG-CG1 4.44Å; M178-V183 HydrophobicContact CE-CG2 3.76Å
184Y94.6Very high91.2Very high23 Ų2361.4 Ų61.49%0.0931%0.31CS..EExtended strand (participates in β ladder)trans-134.1140.7178.4-61.3-89000109.7T164 T165 F176 G177 K179 L182 H188 F189 L192T164-Y184 HydrophobicContact CG2-CE1 4.5Å; T165-Y184 WeakPolarHBondContact OG1-CD1 3.47Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å; F176-Y184 VanDerWaalsContact CB-O 3.31Å; F176-Y184 WeakPolarHBondContact CB-O 3.45Å; G177-Y184 PolarHBondContact N-O 2.86Å; G177-Y184 PolarHBondContact O-N 2.85Å; K179-Y184 HydrophobicContact CB-CE2 4.34Å; L182-Y184 HydrophobicContact CB-CE2 3.63Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.4Å; L182-Y184 WeakPolarHBondContact O-CD2 3.45Å; Y184-H188 HydrophobicContact CD1-CB 4.46Å; Y184-F189 HydrophobicContact CD2-CD2 4.19Å; Y184-F189 HydrophobicContact CG-CD2 4.48Å; Y184-L192 HydrophobicContact CD1-CD1 4.32Å; Y184-L192 HydrophobicContact CE1-CD1 3.68Å; Y184-L192 HydrophobicContact CE2-CD1 4.24Å
185C95.3Very high89.9Confident15 Ų1561.3 Ų61.310%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-67.9158.3167.569.90000110C163 L170 L187 H188 F189C163-C185 HydrophobicContact CB-CB 4.04Å; C163-C185 PolarHBondContact SG-N 3.36Å; L170-C185 HydrophobicContact CD2-CB 3.93Å; C185-L187 VanDerWaalsContact C-N 3.27Å; C185-L187 PolarHBondContact O-N 3.23Å; C185-L187 VanDerWaalsContact O-N 3.11Å; C185-H188 PolarHBondContact O-N 3.39Å; C185-H188 VanDerWaalsContact O-N 3.14Å; C185-H188 PolarHBondContact SG-ND1 3.23Å; C185-F189 PolarHBondContact O-N 3.19Å
186R93.4Very high88.1Confident147 Ų14763.3 Ų63.356%0.55534%0.34SS*.Hα-helixtrans-40.7-52.3-179.1177.7177.9169.6173.4-1.9113.5H175 F189 E190H175-R186 HydrophobicContact CB-CB 3.99Å; H175-R186 PolarHBondContact O-N 3.31Å; R186-F189 PolarHBondContact O-N 2.88Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 3.35Å
187L94.3Very high86.1Confident117 Ų11769.9 Ų69.961%0.61338%0.376SS*.Hα-helixtrans-57.6-54.3-177.3-175.462.7000112.5C185 F189 E190 T191C185-L187 VanDerWaalsContact C-N 3.27Å; C185-L187 PolarHBondContact O-N 3.23Å; C185-L187 VanDerWaalsContact O-N 3.11Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.45Å; L187-E190 PolarHBondContact O-N 3.43Å; L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 VanDerWaalsContact O-N 3.07Å; L187-T191 PolarHBondContact O-OG1 2.89Å; L187-T191 VanDerWaalsContact O-OG1 3.09Å
188H94.9Very high83.8Confident49 Ų4979 Ų7923%0.22741%0.411CS..Hα-helixtrans-72.3-27-178-63.3116.9000113.1T165 C166 Y184 C185 L192T165-H188 HydrophobicContact CG2-CB 4.36Å; C166-H188 VanDerWaalsContact CB-CE1 3.44Å; C166-H188 WeakPolarHBondContact CB-CE1 3.4Å; C166-H188 PolarHBondContact SG-CE1 3.1Å; C166-H188 PolarHBondContact SG-ND1 3.4Å; Y184-H188 HydrophobicContact CD1-CB 4.46Å; C185-H188 PolarHBondContact O-N 3.39Å; C185-H188 VanDerWaalsContact O-N 3.14Å; C185-H188 PolarHBondContact SG-ND1 3.23Å; H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 PolarHBondContact O-N 3.3Å
189F94.1Very high82Confident18 Ų1885.3 Ų85.38%0.07944%0.441CS..Hα-helixtrans-67.8-42.4171.9-169.7-108.9000111.4K179 Y184 C185 R186 L187 L192 V193K179-F189 HydrophobicContact CB-CE2 4.33Å; Y184-F189 HydrophobicContact CD2-CD2 4.19Å; Y184-F189 HydrophobicContact CG-CD2 4.48Å; C185-F189 PolarHBondContact O-N 3.19Å; R186-F189 PolarHBondContact O-N 2.88Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 3.32Å; F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CE1-CG2 3.95Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 4Å; F189-V193 WeakPolarHBondContact O-CG2 3.5Å; F189-V193 PolarHBondContact O-N 2.82Å
190E92.2Very high80Confident67 Ų6785 Ų8531%0.31345%0.449SS..Hα-helixtrans-62.1-47.9177.5-174.1163-173.900111.2R186 L187 L192 V193 Q194R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 3.35Å; L187-E190 PolarHBondContact O-N 3.43Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.93Å; E190-V193 PolarHBondContact O-N 3.36Å; E190-Q194 VanDerWaalsContact CG-NE2 3.31Å; E190-Q194 WeakPolarHBondContact O-CB 3.48Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.86Å
191T91.4Very high78Confident86 Ų8686.9 Ų86.953%0.52845%0.453SS..Hα-helixtrans-58.2-40.4172.3-48.70000112.8L187 V193 Q194 G195L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 VanDerWaalsContact O-N 3.07Å; L187-T191 PolarHBondContact O-OG1 2.89Å; L187-T191 VanDerWaalsContact O-OG1 3.09Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 3.27Å; T191-Q194 PolarHBondContact O-N 3.27Å; T191-G195 PolarHBondContact O-N 3.35Å
192L88Confident76.3Confident66 Ų6691.8 Ų91.835%0.34647%0.474SS..Hα-helixtrans-72.1-26.6-178.1-172.8147000113.2K179 Y184 H188 F189 E190K179-L192 HydrophobicContact CD-CD2 3.56Å; Y184-L192 HydrophobicContact CD1-CD1 4.32Å; Y184-L192 HydrophobicContact CE1-CD1 3.68Å; Y184-L192 HydrophobicContact CE2-CD1 4.24Å; H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 PolarHBondContact O-N 3.3Å; F189-L192 PolarHBondContact O-N 3.32Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.93Å
193V84.9Confident74.1Confident70 Ų7094.3 Ų94.342%0.42449%0.487SS..Hα-helixtrans-85.3-29.7175.6174.30000112.1F189 E190 T191 L216F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CE1-CG2 3.95Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 4Å; F189-V193 WeakPolarHBondContact O-CG2 3.5Å; F189-V193 PolarHBondContact O-N 2.82Å; E190-V193 PolarHBondContact O-N 3.36Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 3.27Å; V193-L216 HydrophobicContact CG1-CD2 3.87Å
194Q79.4Confident71.8Confident106 Ų106104.2 Ų104.250%0.49553%0.53SS..Hα-helixtrans-74.5-26.2-178.3-75171.21.600114E190 T191E190-Q194 VanDerWaalsContact CG-NE2 3.31Å; E190-Q194 WeakPolarHBondContact O-CB 3.48Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.86Å; T191-Q194 PolarHBondContact O-N 3.27Å
195G64.7Low69.7Low43 Ų43107.1 Ų107.144%0.44356%0.56SS.*  trans68.1-179.8175.700000114.6T191 D197T191-G195 PolarHBondContact O-N 3.35Å; G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.23Å
196P55.7Low67.2Low127 Ų127113.9 Ų113.983%0.82559%0.59SS**THydrogen-bonded Turntrans-74.2-19.3-178.5-16.932.8000114.4
197D51.9Low64.9Low153 Ų153115.3 Ų115.382%0.81861%0.607SS**THydrogen-bonded Turntrans-96.515.3-165-61.9-75.3000114.9G195G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.23Å
198Y45.1Very low62.6Low190 Ų190114.8 Ų114.875%0.74562%0.62SS**  trans-125.783.3174.1-129.7-95.3000112.5P200Y198-P200 VanDerWaalsContact O-CD 3.25Å; Y198-P200 WeakPolarHBondContact O-CD 3.3Å
199H53.6Low60.4Low148 Ų148116.2 Ų116.269%0.68564%0.64SS**  trans-70.9111.2163.3-174.6-64.5000108.7Q201H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 WeakPolarHBondContact ND1-CG 3.47Å; H199-Q201 PolarHBondContact ND1-N 3.4Å; H199-Q201 VanDerWaalsContact ND1-N 3.18Å; H199-Q201 PolarHBondContact O-N 3.07Å
200P49.6Very low57.9Low94 Ų94125 Ų12561%0.6168%0.678SS**  trans-76.290.4169.115.11000106.7Y198 L202Y198-P200 VanDerWaalsContact O-CD 3.25Å; Y198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-L202 PolarHBondContact O-N 3.36Å; P200-L202 VanDerWaalsContact O-N 3.09Å
201Q44.1Very low55.5Low167 Ų167126.1 Ų126.178%0.7871%0.708SS**  trans-61116159.4-88-152.5-13.600106.9H199 N203H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 WeakPolarHBondContact ND1-CG 3.47Å; H199-Q201 PolarHBondContact ND1-N 3.4Å; H199-Q201 VanDerWaalsContact ND1-N 3.18Å; H199-Q201 PolarHBondContact O-N 3.07Å; Q201-N203 PolarHBondContact O-N 3.31Å
202L48.3Very low53Low171 Ų171125.4 Ų125.490%0.89572%0.718SS**  trans-70.577.9-178.9-66.4171.3000110P200 F204P200-L202 PolarHBondContact O-N 3.36Å; P200-L202 VanDerWaalsContact O-N 3.09Å; L202-F204 PolarHBondContact O-N 3.24Å
203N46.5Very low50.6Low118 Ų118126 Ų12663%0.63174%0.741SS**  trans-93.590.4166.5-161.718.1000109.4Q201 A205Q201-N203 PolarHBondContact O-N 3.31Å; N203-A205 PolarHBondContact O-N 2.96Å; N203-A205 VanDerWaalsContact O-N 3.07Å
204F45.3Very low48.5Very low213 Ų213130.8 Ų130.893%0.93476%0.763SS**THydrogen-bonded Turntrans-69.7-0.8-172-169.8-101.5000114.3L202L202-F204 PolarHBondContact O-N 3.24Å
205A50.3Low47Very low85 Ų85130.6 Ų130.670%0.70278%0.779SS**THydrogen-bonded Turntrans-90.1-20.5-166.900000116.2N203N203-A205 PolarHBondContact O-N 2.96Å; N203-A205 VanDerWaalsContact O-N 3.07Å
206E42.7Very low46.6Very low157 Ų157132.8 Ų132.873%0.73478%0.78SS**SBendtrans-12516.2-158-139.7171.5130.200116.6
207L46.7Very low46.8Very low176 Ų176131 Ų13192%0.92177%0.768SS**  trans-106.225.9-176.7-133.175.4000115.8
208A45.7Very low47.2Very low107 Ų107126.9 Ų126.988%0.88474%0.742SS**SBendtrans-88.2-7.6174.500000114.5
209A47.9Very low48Very low79 Ų79121.5 Ų121.565%0.65372%0.722SS**SBendtrans-111.7-14.7-157.100000117.8
210K41.3Very low48.3Very low201 Ų201119.7 Ų119.787%0.87472%0.718SS**  trans-141.5100.9-176.8-65.2-66.1171.9-177.30112.9G212K210-G212 PolarHBondContact O-N 2.73Å
211G42.9Very low48.2Very low92 Ų92116.8 Ų116.895%0.94871%0.705SS**  trans-71.8121.8166.500000111
212G38.9Very low47.9Very low71 Ų71115.1 Ų115.173%0.73271%0.706SS**  trans-174.460.3-176.900000111.6K210 L214K210-G212 PolarHBondContact O-N 2.73Å; G212-L214 PolarHBondContact O-N 3.07Å
213G36.9Very low47.2Very low79 Ų79110.7 Ų110.781%0.81470%0.702SS**  trans-68.6115.1-174.800000112.9A215G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.13Å
214L41.7Very low46.9Very low170 Ų170112 Ų11289%0.8972%0.715SS**  trans-68.2104.5164.5-65.4176.4000108.7G212 L216G212-L214 PolarHBondContact O-N 3.07Å; L214-L216 PolarHBondContact O-N 3.18Å; L214-L216 VanDerWaalsContact O-N 3.09Å
215A48.3Very low46.5Very low102 Ų102106.7 Ų106.784%0.84371%0.71SS**  trans-71.1104.3-179.300000110.6G213G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.13Å
216L55Low46Very low89 Ų89110.4 Ų110.447%0.46671%0.713SS.*  trans-57.6144.8170-71.3171.4000110.5V193 L214 Y218V193-L216 HydrophobicContact CG1-CD2 3.87Å; L214-L216 PolarHBondContact O-N 3.18Å; L214-L216 VanDerWaalsContact O-N 3.09Å; L216-Y218 PolarHBondContact O-N 2.82Å
217P60.7Low46Very low88 Ų88112 Ų11257%0.57172%0.717SS**  trans-76.760.2-178.133.3-37000111.7
218Y60.4Low45.2Very low68 Ų68107.3 Ų107.327%0.26771%0.711SS.*  trans-74.8121.3175.5179.2-86.3000109.8H175 F176 L216 N220H175-Y218 WeakPolarHBondContact CA-OH 3.32Å; H175-Y218 HydrophobicContact CB-CE2 3.56Å; H175-Y218 AromaticContact CD2-CE1 3.53Å; H175-Y218 AromaticContact CD2-CE2 3.9Å; H175-Y218 AromaticContact CD2-CZ 3.56Å; H175-Y218 AromaticContact CG-CZ 3.75Å; F176-Y218 VanDerWaalsContact N-CE2 3.28Å; F176-Y218 PolarHBondContact N-OH 3.19Å; F176-Y218 WeakPolarHBondContact O-CE2 3.41Å; F176-Y218 PolarHBondContact O-OH 3.44Å; L216-Y218 PolarHBondContact O-N 2.82Å; Y218-N220 HydrophobicContact CE1-CB 4.23Å
219F62Low44.8Very low76 Ų76113.6 Ų113.633%0.33371%0.712SS.*  trans-92110.7-176.4-178.1-97.8000111.6F176F176-F219 HydrophobicContact CE1-CD1 4.18Å; F176-F219 HydrophobicContact CE2-CD1 4.12Å; F176-F219 AromaticContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CE1 4.07Å
220N59Low44.4Very low111 Ų111116 Ų11659%0.59472%0.72SS**  trans-87.3115.2171.1-162.468.8000110.2Y218 T222Y218-N220 HydrophobicContact CE1-CB 4.23Å; N220-T222 PolarHBondContact O-N 3.08Å
221G46.8Very low44.3Very low32 Ų32118.3 Ų118.333%0.3372%0.724SS.*  trans-61.6131.3-17600000113.5
222T39.6Very low44Very low132 Ų132123.7 Ų123.781%0.8172%0.721SS**  trans58108.5169.856.20000117.2N220N220-T222 PolarHBondContact O-N 3.08Å
223G33.4Very low43.9Very low78 Ų78131.3 Ų131.380%0.80473%0.728SS**  trans-129.2101.1169.700000112.8
224T39.6Very low43.6Very low147 Ų147137.2 Ų137.290%0.90273%0.731SS**  trans-139.983.2159.4560000110.5
225A37.1Very low43.1Very low101 Ų101133.3 Ų133.384%0.83572%0.718SS**  trans-156.8124.9161.900000110.4
226Q40Very low43.1Very low163 Ų163134.4 Ų134.476%0.76272%0.717SS**  trans-77.4127.4176.4-73.1-82-16.600110.9G228Q226-G228 PolarHBondContact O-N 3.24Å
227K42.5Very low42.2Very low191 Ų191135 Ų13583%0.8373%0.734SS**  trans1.3110.7149.622-172.2168.7-172.60116.2
228G29.7Very low41.1Very low76 Ų76140.2 Ų140.278%0.78475%0.753SS**  trans-125.7137.3170.400000112.1Q226Q226-G228 PolarHBondContact O-N 3.24Å
229R36.9Very low39.8Very low240 Ų240139.9 Ų139.991%0.90677%0.771SS**PPolyproline II helixtrans-60.2139.6-171.7-174.9179.2-177.3179.52113.8R231R229-R231 PolarHBondContact O-N 3.35Å
230P40.3Very low38.6Very low128 Ų128143.6 Ų143.683%0.83179%0.792SS**PPolyproline II helixtrans-63.6127.7178.1-20.131.7000112.4
231R39.4Very low37.3Very low250 Ų250145.6 Ų145.694%0.94380%0.803SS**PPolyproline II helixtrans-94.9119.6173.2-136.5178.3-163.7-172.34.4110.2R229R229-R231 PolarHBondContact O-N 3.35Å
232K36Very low36.7Very low205 Ų205151.6 Ų151.689%0.89183%0.826SS**PPolyproline II helixtrans-59.8129.6-175-172.1172.7-178.91750111.8
233R36.1Very low37.1Very low231 Ų231150.3 Ų150.387%0.87282%0.82SS**PPolyproline II helixtrans-71.4135.9174-160.9-178.5-171.7-144.74.9109.8
234K31.1Very low36.9Very low203 Ų203151.9 Ų151.988%0.88382%0.819SS**  trans-142.7128.5162.7-168.770.1178.4-179.40108.9
235S31Very low36.5Very low89 Ų89155.8 Ų155.862%0.62282%0.818SS**  trans-110.9172.3178.156.80000109.1
236P48.6Very low36.4Very low125 Ų125157.8 Ų157.881%0.81282%0.815SS**  -95.4175.8-128.339-41.9000115.1
237A35.4Very low35.9Very low101 Ų101156.4 Ų156.484%0.83582%0.818SS**  trans-133.5152.816600000110
238M37.3Very low35.3Very low198 Ų198150.6 Ų150.698%0.97581%0.812SS**  trans-108.9166.4-173.9-67.8-140.4172.800113.2
239G34Very low35.2Very low61 Ų61152.8 Ų152.863%0.62981%0.814SS**  trans138.410317300000110.7
240I36.1Very low34.9Very low153 Ų153147.3 Ų147.379%0.78580%0.802SS**  71.1117.575-63.5168.5000108.7
241D32.3Very low34.5Very low153 Ų153148.4 Ų148.482%0.81880%0.797SS**  cis-143.5-177.841.4-91-56.5000116.8
242I33.6Very low34.2Very low158 Ų158143.6 Ų143.681%0.8179%0.789SS**  trans-150.6158.9-167.4-84.3171.3000108.2
243P48.2Very low34.2Very low106 Ų106140.8 Ų140.869%0.68878%0.784SS**  cis-138.8-175.215.342.5-23.3000118.4
244S30Very low33.9Very low111 Ų111136.3 Ų136.378%0.77678%0.783SS**  trans68.2153.4144.3-71.80000121.1
245Y31Very low34Very low228 Ų228134 Ų13489%0.89478%0.78SS**  cis-143.9-177.222.956.5-88.1000114.3
246N34.4Very low34.3Very low144 Ų144137.6 Ų137.677%0.7779%0.787SS**  trans-111.2-178.5-167.9-173.323.3000113.2
247T31.3Very low33.9Very low134 Ų134138.2 Ų138.282%0.82278%0.783SS**  trans94136.5169.9-32.80000114.7
248G28.6Very low33.8Very low68 Ų68139.4 Ų139.470%0.70178%0.775SS**  cis-171.1-165.50.600000113.7
249C28.5Very low33.6Very low123 Ų123139.3 Ų139.383%0.83176%0.764SS**  trans-71.3176.2176.652.60000113.1
250N30.4Very low33.5Very low124 Ų124142.3 Ų142.366%0.66377%0.766SS**  cis-163.6178.121.2-154.823.4000113
251E32.1Very low33.3Very low152 Ų152141.8 Ų141.871%0.7176%0.76SS**  trans-4.1138.1160.7-64.4163.9132.300119.5
252N32Very low33.4Very low148 Ų148142.4 Ų142.479%0.79176%0.758SS**  -176178.667.4-128.93.2000114.4
253D36Very low33.4Very low146 Ų146139.4 Ų139.478%0.78176%0.756SS**  trans-39.1150.5177.1-81.9-110.1000120.2
254T31.1Very low32.6Very low137 Ų137145.9 Ų145.984%0.8477%0.769SS**  174.5145.5117-63.90000111.5
255D33.2Very low33.1Very low156 Ų156144.3 Ų144.383%0.83476%0.763SS**  trans-55.3154.3171.8-93.9-84.7000115.4
256H36.6Very low33.5Very low164 Ų164139.6 Ų139.676%0.75976%0.76SS**  161.1116.3122.3-170.2-89.9000115.4
257L39.6Very low33.8Very low138 Ų138138.8 Ų138.872%0.72376%0.76SS**  trans26.4132.9151.8-50-176000125.2
258D33.3Very low34.7Very low126 Ų126141 Ų14167%0.67476%0.761SS**  trans81.2147.6133.5-153-140.3000123
259R32.8Very low35.4Very low195 Ų195147.3 Ų147.374%0.73677%0.769SS**  trans78.585.7150.5-144.566.468156.58.9122.1
260D31.7Very low36.7Very low125 Ų125147.5 Ų147.567%0.66877%0.767SS**  77.1141.2124.2-134.5-55.1000122.2
261Q33.3Very low37.6Very low141 Ų141151.2 Ų151.266%0.65978%0.777SS**  trans108.2128.6138.8-151.280.1149.300120.2
262Q34.2Very low38.4Very low166 Ų166155.5 Ų155.578%0.77679%0.787SS**  trans87.6133.4153.6-88.3134.59.500124
263A32.5Very low39.2Very low95 Ų95157 Ų15779%0.78579%0.791SS**  trans69.789.3142.800000120.1A265A263-A265 PolarHBondContact O-N 3.05Å
264Y31.8Very low40.3Very low243 Ų243161.3 Ų161.395%0.95380%0.797SS**  trans-72.4105.6160.4-99.7-92.6000112.2
265A40.7Very low41.7Very low78 Ų78160.3 Ų160.365%0.64579%0.79SS**  trans-81149.6158.700000110.7A263 T267A263-A265 PolarHBondContact O-N 3.05Å; A265-T267 PolarHBondContact O-N 3.13Å; A265-T267 VanDerWaalsContact O-N 3.07Å
266P39.9Very low43.3Very low129 Ų129158.2 Ų158.284%0.83879%0.788SS**  trans-78.298.7-173.830.6-34.3000111.9Q268P266-Q268 PolarHBondContact O-N 2.98Å
267T40.5Very low45.5Very low126 Ų126152.6 Ų152.677%0.77376%0.762SS**  trans-67.2127.9176.8-148.70000111.6A265 K269A265-T267 PolarHBondContact O-N 3.13Å; A265-T267 VanDerWaalsContact O-N 3.07Å; T267-K269 PolarHBondContact O-N 3.16Å
268Q50.5Low47.4Very low180 Ų180153.8 Ų153.884%0.84176%0.761SS**  trans-72.2113.2174.4-63.8-174.820.300108.9P266 T270P266-Q268 PolarHBondContact O-N 2.98Å; Q268-T270 PolarHBondContact O-N 2.95Å
269K42Very low49.7Very low201 Ų201155.2 Ų155.287%0.87476%0.763SS**  trans-66.3102-180-68.2-178.71801760110.4T267 K271T267-K269 PolarHBondContact O-N 3.16Å; K269-K271 PolarHBondContact O-N 2.86Å
270T56.3Low52.2Low128 Ų128151.5 Ų151.579%0.78575%0.754SS**  trans-62.1125.1169.447.70000109.7Q268 R272Q268-T270 PolarHBondContact O-N 2.95Å; T270-R272 PolarHBondContact O-N 2.98Å; T270-R272 VanDerWaalsContact O-N 3.07Å
271K49.8Very low54.6Low202 Ų202147 Ų14788%0.87873%0.729SS**  trans-67.7107.8179.6-164.2175.7-172.8177.70107.9K269 M273K269-K271 PolarHBondContact O-N 2.86Å; K271-M273 PolarHBondContact O-N 2.85Å
272R49.8Very low57Low241 Ų241143.1 Ų143.191%0.90971%0.712SS**PPolyproline II helixtrans-51.7125.5-178.3-67.7-170.3-171.1-158.33.1109.7T270 R274T270-R272 PolarHBondContact O-N 2.98Å; T270-R272 VanDerWaalsContact O-N 3.07Å; R272-R274 PolarHBondContact O-N 3.33Å
273M48.2Very low59.3Low180 Ų180143 Ų14389%0.88771%0.705SS**PPolyproline II helixtrans-62.7135.2-178.2-26-168.7-150.700109.2K271 T275K271-M273 PolarHBondContact O-N 2.85Å; M273-T275 PolarHBondContact O-N 3.25Å
274R58Low61.7Low237 Ų237139.7 Ų139.789%0.89468%0.675SS**PPolyproline II helixtrans-64.8125.1173.5-168.4178.7-169.3176.74.2108.2R272 S276R272-R274 PolarHBondContact O-N 3.33Å; R274-S276 PolarHBondContact O-N 3.22Å; R274-S276 VanDerWaalsContact O-N 3.08Å
275T60.4Low64.2Low115 Ų115128.6 Ų128.671%0.70663%0.632SS**  trans-58.5113.9178.150.80000110.1M273M273-T275 PolarHBondContact O-N 3.25Å
276S68.3Low66.1Low112 Ų112129.6 Ų129.678%0.78362%0.621SS**PPolyproline II helixtrans-95.9136176.8-170.20000110.4R274R274-S276 PolarHBondContact O-N 3.22Å; R274-S276 VanDerWaalsContact O-N 3.08Å
277F81.1Confident68Low47 Ų47126.8 Ų126.821%0.20661%0.605CS.*PPolyproline II helixtrans-84.1131.6178.4-63.5-71.8000111L282 L309 V313 I319F277-L282 HydrophobicContact CB-CD1 4.24Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.73Å; F277-L282 HydrophobicContact CD2-CD2 4.25Å; F277-L282 HydrophobicContact CG-CD2 4.14Å; F277-L309 HydrophobicContact CD1-CD1 3.79Å; F277-L309 HydrophobicContact CD1-CD2 4.02Å; F277-L309 HydrophobicContact CE1-CD1 3.68Å; F277-L309 HydrophobicContact CE1-CD2 3.87Å; F277-L309 HydrophobicContact CE1-CG 4.44Å; F277-V313 HydrophobicContact CE1-CG1 3.58Å; F277-V313 HydrophobicContact CZ-CG1 3.68Å; F277-I319 HydrophobicContact CE2-CD1 4Å; F277-I319 HydrophobicContact CE2-CG1 4.14Å; F277-I319 HydrophobicContact CE2-CG2 4.36Å; F277-I319 HydrophobicContact CZ-CD1 3.59Å; F277-I319 HydrophobicContact CZ-CG1 4.25Å
278K80.9Confident69.8Low162 Ų162122.4 Ų122.470%0.70457%0.574SS**PPolyproline II helixtrans-67148.6171.5-68.3-175.8177.9-1780110H280 Q281 L282K278-H280 PolarHBondContact O-N 3.21Å; K278-H280 VanDerWaalsContact O-N 3.13Å; K278-Q281 HydrophobicContact CB-CG 4.32Å; K278-Q281 WeakPolarHBondContact O-CB 3.34Å; K278-Q281 PolarHBondContact O-N 3.49Å; K278-L282 PolarHBondContact O-N 3.29Å
279H82.1Confident71.4Confident157 Ų157114.7 Ų114.773%0.72754%0.538SS*.Hα-helixtrans-53.5-38.2-177.3-17379.4000113.5L282 R283H279-L282 PolarHBondContact O-N 2.9Å; H279-R283 PolarHBondContact O-N 2.88Å
280H84.8Confident73Confident116 Ų116108.6 Ų108.654%0.53753%0.526SS..Hα-helixtrans-60.2-44.7173.9175.778000112.7K278 L282 R283 T284K278-H280 PolarHBondContact O-N 3.21Å; K278-H280 VanDerWaalsContact O-N 3.13Å; H280-L282 PolarHBondContact O-N 3.05Å; H280-R283 PolarHBondContact O-N 3Å; H280-T284 PolarHBondContact CE1-OG1 3.01Å; H280-T284 PolarHBondContact NE2-OG1 3Å; H280-T284 WeakPolarHBondContact O-CB 3.24Å; H280-T284 PolarHBondContact O-N 3.27Å; H280-T284 PolarHBondContact O-OG1 3.24Å; H280-T284 VanDerWaalsContact O-OG1 3.07Å
281Q81.9Confident74Confident30 Ų30108.9 Ų108.914%0.1452%0.521CS..Hα-helixtrans-62.1-44.7-179.8-62.5171.7-4400110.7K278 R283 T284 M285 T307 L309K278-Q281 HydrophobicContact CB-CG 4.32Å; K278-Q281 WeakPolarHBondContact O-CB 3.34Å; K278-Q281 PolarHBondContact O-N 3.49Å; Q281-R283 PolarHBondContact O-N 2.91Å; Q281-T284 PolarHBondContact O-N 3.12Å; Q281-M285 WeakPolarHBondContact O-CB 3.38Å; Q281-M285 VanDerWaalsContact O-CG 3.29Å; Q281-M285 WeakPolarHBondContact O-CG 3.31Å; Q281-M285 PolarHBondContact O-N 3.45Å; Q281-T307 WeakPolarHBondContact CG-O 3.23Å; Q281-T307 PolarHBondContact NE2-O 3Å; Q281-L309 HydrophobicContact CB-CD1 4.26Å
282L84.1Confident75.1Confident61 Ų61102.7 Ų102.732%0.31950%0.497SS..Hα-helixtrans-62.2-42175.9-66.7174.3000112.4F277 K278 H279 H280 K286F277-L282 HydrophobicContact CB-CD1 4.24Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.73Å; F277-L282 HydrophobicContact CD2-CD2 4.25Å; F277-L282 HydrophobicContact CG-CD2 4.14Å; K278-L282 PolarHBondContact O-N 3.29Å; H279-L282 PolarHBondContact O-N 2.9Å; H280-L282 PolarHBondContact O-N 3.05Å; L282-K286 WeakPolarHBondContact O-CB 3.42Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 3.2Å
283R81.5Confident76.3Confident163 Ų16396.7 Ų96.762%0.61548%0.479SS*.Hα-helixtrans-63.2-49.7177.7-171.3-179.2-66.2-174.7-1.7111.2H279 H280 Q281 M285 K286 S287H279-R283 PolarHBondContact O-N 2.88Å; H280-R283 PolarHBondContact O-N 3Å; Q281-R283 PolarHBondContact O-N 2.91Å; R283-M285 PolarHBondContact O-N 3.45Å; R283-K286 PolarHBondContact O-N 2.91Å; R283-S287 PolarHBondContact O-N 3.13Å; R283-S287 PolarHBondContact O-OG 3.11Å; R283-S287 VanDerWaalsContact O-OG 3.13Å
284T83.7Confident77.6Confident25 Ų2595.4 Ų95.415%0.15348%0.476CS..Hα-helixtrans-62.8-39.7-179.8-59.70000112.5H280 Q281 S287 Y288 L303 K306 T307H280-T284 PolarHBondContact CE1-OG1 3.01Å; H280-T284 PolarHBondContact NE2-OG1 3Å; H280-T284 WeakPolarHBondContact O-CB 3.24Å; H280-T284 PolarHBondContact O-N 3.27Å; H280-T284 PolarHBondContact O-OG1 3.24Å; H280-T284 VanDerWaalsContact O-OG1 3.07Å; Q281-T284 PolarHBondContact O-N 3.12Å; T284-S287 PolarHBondContact O-OG 3.5Å; T284-Y288 PolarHBondContact O-N 3.06Å; T284-L303 HydrophobicContact CG2-CD1 4.4Å; T284-K306 HydrophobicContact CG2-CB 4.26Å; T284-T307 HydrophobicContact CG2-CG2 3.89Å
285M83.6Confident78.5Confident10 Ų1085.6 Ų85.65%0.04944%0.443CS..Hα-helixtrans-64.5-50.9173-71.3174.369.200111.1Q281 R283 S287 Y288 F289 L303 T307 L309 L314 I319Q281-M285 WeakPolarHBondContact O-CB 3.38Å; Q281-M285 VanDerWaalsContact O-CG 3.29Å; Q281-M285 WeakPolarHBondContact O-CG 3.31Å; Q281-M285 PolarHBondContact O-N 3.45Å; R283-M285 PolarHBondContact O-N 3.45Å; M285-S287 PolarHBondContact O-N 3.22Å; M285-Y288 PolarHBondContact O-N 3.09Å; M285-Y288 VanDerWaalsContact O-N 3.09Å; M285-F289 HydrophobicContact CB-CD2 4.34Å; M285-F289 HydrophobicContact CB-CE2 4.44Å; M285-F289 HydrophobicContact CE-CE2 4.34Å; M285-F289 VanDerWaalsContact O-CD2 3.24Å; M285-F289 WeakPolarHBondContact O-CD2 3.24Å; M285-F289 PolarHBondContact O-N 3.25Å; M285-L303 HydrophobicContact CG-CD2 4.33Å; M285-T307 HydrophobicContact CG-CG2 4.23Å; M285-L309 HydrophobicContact SD-CD1 3.82Å; M285-L314 HydrophobicContact CE-CD2 3.69Å; M285-L314 HydrophobicContact CG-CD2 4.14Å; M285-L314 HydrophobicContact SD-CD2 3.72Å; M285-I319 HydrophobicContact CE-CG2 3.87Å
286K81.6Confident79.5Confident99 Ų9984.9 Ų84.943%0.4344%0.435SS..Hα-helixtrans-58.2-44.6-178.9-75.5176.7-179.3-166.80113L282 R283 Y288 A290 Y323L282-K286 WeakPolarHBondContact O-CB 3.42Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 3.2Å; R283-K286 PolarHBondContact O-N 2.91Å; K286-Y288 PolarHBondContact O-N 2.96Å; K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 3.4Å; K286-A290 VanDerWaalsContact O-N 3.15Å; K286-Y323 VanDerWaalsContact CE-CZ 3.47Å; K286-Y323 WeakPolarHBondContact CE-OH 3.44Å; K286-Y323 PolarHBondContact NZ-OH 2.97Å
287S79.7Confident80Confident70 Ų7082 Ų8249%0.4942%0.418SS..Hα-helixtrans-62.9-30.5177.8520000113.2R283 T284 M285R283-S287 PolarHBondContact O-N 3.13Å; R283-S287 PolarHBondContact O-OG 3.11Å; R283-S287 VanDerWaalsContact O-OG 3.13Å; T284-S287 PolarHBondContact O-OG 3.5Å; M285-S287 PolarHBondContact O-N 3.22Å
288Y78.3Confident80Confident34 Ų3487.7 Ų87.713%0.13344%0.443CS..Hα-helixtrans-79.6-49.8-179.5-169.1-80.7000111.6T284 M285 K286 A290 I291 N292 P295 D299 L303T284-Y288 PolarHBondContact O-N 3.06Å; M285-Y288 PolarHBondContact O-N 3.09Å; M285-Y288 VanDerWaalsContact O-N 3.09Å; K286-Y288 PolarHBondContact O-N 2.96Å; Y288-A290 PolarHBondContact O-N 2.91Å; Y288-I291 PolarHBondContact O-N 3.43Å; Y288-N292 HydrophobicContact CD1-CB 4.48Å; Y288-N292 HydrophobicContact CE1-CB 3.73Å; Y288-N292 PolarHBondContact O-N 3.49Å; Y288-N292 PolarHBondContact OH-ND2 3.18Å; Y288-P295 HydrophobicContact CE1-CB 4.09Å; Y288-D299 HydrophobicContact CE1-CB 4.29Å; Y288-D299 VanDerWaalsContact OH-CB 3.22Å; Y288-D299 WeakPolarHBondContact OH-CB 3.46Å; Y288-D299 PolarHBondContact OH-OD1 3.01Å; Y288-L303 HydrophobicContact CD1-CD1 4.31Å; Y288-L303 HydrophobicContact CD1-CD2 4.48Å; Y288-L303 HydrophobicContact CD2-CD1 3.9Å; Y288-L303 HydrophobicContact CG-CD1 3.66Å
289F82.8Confident80.1Confident18 Ų1882.2 Ų82.28%0.07942%0.421CS..Hα-helixtrans-70.4-15.3-178.8-73.3-72.1000114.3M285 I291 H293 P295 L303 L320M285-F289 HydrophobicContact CB-CD2 4.34Å; M285-F289 HydrophobicContact CB-CE2 4.44Å; M285-F289 HydrophobicContact CE-CE2 4.34Å; M285-F289 VanDerWaalsContact O-CD2 3.24Å; M285-F289 WeakPolarHBondContact O-CD2 3.24Å; M285-F289 PolarHBondContact O-N 3.25Å; F289-I291 VanDerWaalsContact C-N 3.25Å; F289-H293 PolarHBondContact O-CE1 3.23Å; F289-H293 VanDerWaalsContact O-CE1 3.27Å; F289-H293 PolarHBondContact O-ND1 3Å; F289-H293 VanDerWaalsContact O-ND1 3.12Å; F289-P295 HydrophobicContact CE1-CG 3.66Å; F289-P295 HydrophobicContact CZ-CG 4.2Å; F289-L303 HydrophobicContact CE2-CD2 3.76Å; F289-L303 HydrophobicContact CZ-CD2 4.16Å; F289-L320 HydrophobicContact CB-CD2 4.35Å; F289-L320 HydrophobicContact CD1-CD2 3.57Å; F289-L320 HydrophobicContact CD2-CD2 3.68Å; F289-L320 HydrophobicContact CE1-CD1 3.88Å; F289-L320 HydrophobicContact CE1-CD2 3.6Å; F289-L320 HydrophobicContact CE1-CG 4.38Å; F289-L320 HydrophobicContact CE2-CD2 3.77Å; F289-L320 HydrophobicContact CG-CD2 3.6Å; F289-L320 HydrophobicContact CZ-CD1 3.87Å; F289-L320 HydrophobicContact CZ-CD2 3.72Å; F289-L320 HydrophobicContact CZ-CG 4.29Å
290A77.1Confident80.1Confident74 Ų7475.3 Ų75.361%0.61239%0.39SS*.THydrogen-bonded Turntrans-72.4-16.4169.600000113.6K286 Y288K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 3.4Å; K286-A290 VanDerWaalsContact O-N 3.15Å; Y288-A290 PolarHBondContact O-N 2.91Å
291I76.9Confident80Confident133 Ų13377.3 Ų77.368%0.68240%0.397SS*.THydrogen-bonded Turntrans-109.2-47.6-179.4-56.7172.2000109.8Y288 F289Y288-I291 PolarHBondContact O-N 3.43Å; F289-I291 VanDerWaalsContact C-N 3.25Å
292N73.3Confident80.1Confident72 Ų7280.1 Ų80.139%0.38541%0.41SS..  trans-117.598.8-179.2-71.2-34.2000110.7Y288 N294Y288-N292 HydrophobicContact CD1-CB 4.48Å; Y288-N292 HydrophobicContact CE1-CB 3.73Å; Y288-N292 PolarHBondContact O-N 3.49Å; Y288-N292 PolarHBondContact OH-ND2 3.18Å; N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 3.22Å
293H73.8Confident80.1Confident116 Ų11677.4 Ų77.454%0.53740%0.396SS..SBendtrans-72.3-14.9179.6-75.1-61.2000114.7F289 T326F289-H293 PolarHBondContact O-CE1 3.23Å; F289-H293 VanDerWaalsContact O-CE1 3.27Å; F289-H293 PolarHBondContact O-ND1 3Å; F289-H293 VanDerWaalsContact O-ND1 3.12Å; H293-T326 HydrophobicContact CB-CG2 3.76Å
294N76.6Confident80.4Confident152 Ų15270.6 Ų70.681%0.81337%0.374SS*.SBendtrans-136.280.2179.8-170.157.1000110.5N292N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 3.22Å
295P75.7Confident80.5Confident31 Ų3177.3 Ų77.320%0.20140%0.404CS..  trans-67.6136.9-176.727.6-35.8000112.4Y288 F289 D299 L300Y288-P295 HydrophobicContact CE1-CB 4.09Å; F289-P295 HydrophobicContact CE1-CG 3.66Å; F289-P295 HydrophobicContact CZ-CG 4.2Å; P295-D299 HydrophobicContact CB-CB 3.73Å; P295-L300 HydrophobicContact CG-CD1 4.33Å
296D81.4Confident80.5Confident100 Ų10082.4 Ų82.454%0.53543%0.426SS..  trans-74.3168.4172.2177.147.9000111.8K298 D299 L300D296-K298 PolarHBondContact O-N 3.15Å; D296-K298 VanDerWaalsContact O-N 3.13Å; D296-K298 PolarHBondContact OD2-N 3.05Å; D296-D299 PolarHBondContact N-OD2 3.38Å; D296-D299 WeakPolarHBondContact O-CB 3.29Å; D296-D299 PolarHBondContact O-N 2.82Å; D296-D299 VanDerWaalsContact O-N 3.08Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 PolarHBondContact O-N 2.99Å
297A78.6Confident80.5Confident53 Ų5378.1 Ų78.144%0.43841%0.408SS..Hα-helixtrans-51.5-32.517300000113.5K301A297-K301 PolarHBondContact O-N 3.27Å
298K82.1Confident80.6Confident166 Ų16678.1 Ų78.172%0.72242%0.419SS*.Hα-helixtrans-70.7-45175.6-167179.6-176.2-178.30112.4D296 K301 Q302D296-K298 PolarHBondContact O-N 3.15Å; D296-K298 VanDerWaalsContact O-N 3.13Å; D296-K298 PolarHBondContact OD2-N 3.05Å; K298-K301 WeakPolarHBondContact O-CB 3.46Å; K298-K301 PolarHBondContact O-N 3.09Å; K298-Q302 PolarHBondContact O-N 3.28Å; K298-Q302 VanDerWaalsContact O-N 3.12Å
299D82.6Confident80.8Confident47 Ų4777.7 Ų77.725%0.25142%0.419SS..Hα-helixtrans-62.7-45.8178.1-64.8-50000111.6Y288 P295 D296 K301 Q302 L303Y288-D299 HydrophobicContact CE1-CB 4.29Å; Y288-D299 VanDerWaalsContact OH-CB 3.22Å; Y288-D299 WeakPolarHBondContact OH-CB 3.46Å; Y288-D299 PolarHBondContact OH-OD1 3.01Å; P295-D299 HydrophobicContact CB-CB 3.73Å; D296-D299 PolarHBondContact N-OD2 3.38Å; D296-D299 WeakPolarHBondContact O-CB 3.29Å; D296-D299 PolarHBondContact O-N 2.82Å; D296-D299 VanDerWaalsContact O-N 3.08Å; D299-K301 PolarHBondContact O-N 3.37Å; D299-Q302 WeakPolarHBondContact O-CB 3.47Å; D299-Q302 PolarHBondContact O-N 3.38Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.99Å
300L83.1Confident80.7Confident11 Ų1181.1 Ų81.16%0.05844%0.442CS..Hα-helixtrans-65-30.5-179.4-157.265.4000112P295 D296 A304 K311 L314 Q315P295-L300 HydrophobicContact CG-CD1 4.33Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 PolarHBondContact O-N 2.99Å; L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.32Å; L300-K311 HydrophobicContact CD2-CD 4.2Å; L300-K311 VanDerWaalsContact CD2-CE 3.47Å; L300-K311 HydrophobicContact CD2-CG 3.61Å; L300-K311 HydrophobicContact CG-CG 3.96Å; L300-L314 HydrophobicContact CD1-CB 3.65Å; L300-L314 HydrophobicContact CD1-CD1 4.43Å; L300-L314 HydrophobicContact CG-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.36Å; L300-Q315 HydrophobicContact CG-CG 4.48Å
301K82.7Confident80.6Confident159 Ų15982 Ų8269%0.69143%0.431SS*.Hα-helixtrans-68.5-42.9170.6-172.6179.2-178.9-179.20111.4A297 K298 D299 A304 Q305A297-K301 PolarHBondContact O-N 3.27Å; K298-K301 WeakPolarHBondContact O-CB 3.46Å; K298-K301 PolarHBondContact O-N 3.09Å; D299-K301 PolarHBondContact O-N 3.37Å; K301-A304 PolarHBondContact O-N 3.47Å; K301-Q305 PolarHBondContact O-N 3.46Å; K301-Q305 VanDerWaalsContact O-N 3.11Å
302Q83.3Confident80.5Confident89 Ų8985.9 Ų85.942%0.41644%0.437SS..Hα-helixtrans-66.2-40.2176.5-162.5-16770.700111.8K298 D299 Q305 K306K298-Q302 PolarHBondContact O-N 3.28Å; K298-Q302 VanDerWaalsContact O-N 3.12Å; D299-Q302 WeakPolarHBondContact O-CB 3.47Å; D299-Q302 PolarHBondContact O-N 3.38Å; Q302-Q305 PolarHBondContact O-N 2.96Å; Q302-K306 HydrophobicContact CG-CD 4.35Å; Q302-K306 WeakPolarHBondContact O-CG 3.32Å; Q302-K306 PolarHBondContact O-N 3.13Å
303L84.6Confident80.5Confident3 Ų384.5 Ų84.52%0.01643%0.432CS..Hα-helixtrans-68.9-37.1179.2-154.674.7000111.6T284 M285 Y288 F289 D299 K306 T307 L314T284-L303 HydrophobicContact CG2-CD1 4.4Å; M285-L303 HydrophobicContact CG-CD2 4.33Å; Y288-L303 HydrophobicContact CD1-CD1 4.31Å; Y288-L303 HydrophobicContact CD1-CD2 4.48Å; Y288-L303 HydrophobicContact CD2-CD1 3.9Å; Y288-L303 HydrophobicContact CG-CD1 3.66Å; F289-L303 HydrophobicContact CE2-CD2 3.76Å; F289-L303 HydrophobicContact CZ-CD2 4.16Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.99Å; L303-K306 PolarHBondContact O-N 2.96Å; L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CG2 3.48Å; L303-T307 PolarHBondContact O-N 2.98Å; L303-T307 PolarHBondContact O-OG1 3.12Å; L303-L314 HydrophobicContact CB-CD1 4.03Å; L303-L314 HydrophobicContact CD2-CD1 4.32Å; L303-L314 HydrophobicContact CD2-CD2 4.32Å; L303-L314 HydrophobicContact CG-CD1 4.33Å
304A86.3Confident80.6Confident20 Ų2079.1 Ų79.117%0.16541%0.407CS..Hα-helixtrans-59-48.9170.700000111.5L300 K301 K306 T307 G308 L309 L314L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.32Å; K301-A304 PolarHBondContact O-N 3.47Å; A304-K306 PolarHBondContact O-N 3.07Å; A304-T307 PolarHBondContact O-N 3.39Å; A304-G308 WeakPolarHBondContact O-CA 3.2Å; A304-G308 PolarHBondContact O-N 3.41Å; A304-L309 VanDerWaalsContact CA-O 3.29Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 WeakPolarHBondContact CB-O 3.45Å; A304-L309 PolarHBondContact O-N 3.43Å; A304-L314 HydrophobicContact CB-CD1 3.93Å; A304-L314 VanDerWaalsContact N-CD1 3.34Å
305Q86.1Confident80.3Confident167 Ų16777.1 Ų77.178%0.7839%0.393SS*.Hα-helixtrans-62.7-39.9178.7-170.2176.42.900112.7K301 Q302K301-Q305 PolarHBondContact O-N 3.46Å; K301-Q305 VanDerWaalsContact O-N 3.11Å; Q302-Q305 PolarHBondContact O-N 2.96Å
306K83.5Confident79.7Confident116 Ų11677 Ų7750%0.50440%0.396SS..Hα-helixtrans-72.8-29178.2-75.1174.6174.2170.90114.1T284 Q302 L303 A304T284-K306 HydrophobicContact CG2-CB 4.26Å; Q302-K306 HydrophobicContact CG-CD 4.35Å; Q302-K306 WeakPolarHBondContact O-CG 3.32Å; Q302-K306 PolarHBondContact O-N 3.13Å; L303-K306 PolarHBondContact O-N 2.96Å; A304-K306 PolarHBondContact O-N 3.07Å
307T82.4Confident78.2Confident9 Ų980 Ų806%0.05541%0.408CS..Hα-helixtrans-102.1-14.5-175.858.30000113.9Q281 T284 M285 L303 A304 L309Q281-T307 WeakPolarHBondContact CG-O 3.23Å; Q281-T307 PolarHBondContact NE2-O 3Å; T284-T307 HydrophobicContact CG2-CG2 3.89Å; M285-T307 HydrophobicContact CG-CG2 4.23Å; L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CG2 3.48Å; L303-T307 PolarHBondContact O-N 2.98Å; L303-T307 PolarHBondContact O-OG1 3.12Å; A304-T307 PolarHBondContact O-N 3.39Å; T307-L309 PolarHBondContact O-N 2.99Å; T307-L309 WeakPolarHBondContact OG1-CB 3.37Å; T307-L309 PolarHBondContact OG1-N 3.04Å
308G81.8Confident76.6Confident70 Ų7086.1 Ų86.172%0.72243%0.427SS*.THydrogen-bonded Turntrans67.314.8-169.600000113.5A304A304-G308 WeakPolarHBondContact O-CA 3.2Å; A304-G308 PolarHBondContact O-N 3.41Å
309L83Confident75.2Confident25 Ų2580.9 Ų80.913%0.13141%0.406CS..  trans-96.2144.8179.1-62174000110.4F277 Q281 M285 A304 T307 V313 L314F277-L309 HydrophobicContact CD1-CD1 3.79Å; F277-L309 HydrophobicContact CD1-CD2 4.02Å; F277-L309 HydrophobicContact CE1-CD1 3.68Å; F277-L309 HydrophobicContact CE1-CD2 3.87Å; F277-L309 HydrophobicContact CE1-CG 4.44Å; Q281-L309 HydrophobicContact CB-CD1 4.26Å; M285-L309 HydrophobicContact SD-CD1 3.82Å; A304-L309 VanDerWaalsContact CA-O 3.29Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 WeakPolarHBondContact CB-O 3.45Å; A304-L309 PolarHBondContact O-N 3.43Å; T307-L309 PolarHBondContact O-N 2.99Å; T307-L309 WeakPolarHBondContact OG1-CB 3.37Å; T307-L309 PolarHBondContact OG1-N 3.04Å; L309-V313 HydrophobicContact CB-CG1 4.45Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.36Å; L309-L314 HydrophobicContact CB-CD2 4.11Å; L309-L314 HydrophobicContact CB-CG 4.2Å; L309-L314 HydrophobicContact CD1-CD2 3.87Å
310T80.4Confident73.7Confident91 Ų9180.6 Ų80.656%0.55841%0.405SS*.  trans-71.5151.5177.366.20000111.2R312 V313 L314T310-R312 PolarHBondContact O-N 2.68Å; T310-R312 VanDerWaalsContact O-N 3.12Å; T310-V313 WeakPolarHBondContact O-CB 3.48Å; T310-V313 PolarHBondContact O-N 3.34Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.46Å; T310-L314 PolarHBondContact O-N 3.44Å
311K74.9Confident71.8Confident91 Ų9182.6 Ų82.640%0.39643%0.427SS..Hα-helixtrans-50.3-39.8177.7-167.6-178.9-179.3-178.30112.4L300 V313 L314 Q315L300-K311 HydrophobicContact CD2-CD 4.2Å; L300-K311 VanDerWaalsContact CD2-CE 3.47Å; L300-K311 HydrophobicContact CD2-CG 3.61Å; L300-K311 HydrophobicContact CG-CG 3.96Å; K311-V313 PolarHBondContact O-N 3Å; K311-L314 PolarHBondContact O-N 3.47Å; K311-Q315 VanDerWaalsContact O-CG 3.31Å; K311-Q315 WeakPolarHBondContact O-CG 3.22Å; K311-Q315 PolarHBondContact O-N 2.88Å
312R73.7Confident69.9Low215 Ų21583 Ų8381%0.81143%0.431SS*.Hα-helixtrans-62.1-36.6177-176.3-179-75176-3.6113.1T310 Q315 G316T310-R312 PolarHBondContact O-N 2.68Å; T310-R312 VanDerWaalsContact O-N 3.12Å; R312-Q315 PolarHBondContact O-N 3.38Å; R312-G316 PolarHBondContact O-N 3.49Å
313V74Confident68.1Low44 Ų4485.5 Ų85.527%0.26744%0.438SS..Hα-helixtrans-71.7-34.4177.2173.70000111.1F277 L309 T310 K311 I319F277-V313 HydrophobicContact CE1-CG1 3.58Å; F277-V313 HydrophobicContact CZ-CG1 3.68Å; L309-V313 HydrophobicContact CB-CG1 4.45Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.36Å; T310-V313 WeakPolarHBondContact O-CB 3.48Å; T310-V313 PolarHBondContact O-N 3.34Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.46Å; K311-V313 PolarHBondContact O-N 3Å; V313-I319 HydrophobicContact CG1-CD1 4.15Å; V313-I319 VanDerWaalsContact O-CD1 3.23Å; V313-I319 WeakPolarHBondContact O-CD1 3.47Å
314L75.4Confident65.7Low3 Ų388 Ų882%0.01646%0.456CS..Hα-helixtrans-77.1-21.3176.5-60.6176.6000113.6M285 L300 L303 A304 L309 T310 K311M285-L314 HydrophobicContact CE-CD2 3.69Å; M285-L314 HydrophobicContact CG-CD2 4.14Å; M285-L314 HydrophobicContact SD-CD2 3.72Å; L300-L314 HydrophobicContact CD1-CB 3.65Å; L300-L314 HydrophobicContact CD1-CD1 4.43Å; L300-L314 HydrophobicContact CG-CB 4.4Å; L303-L314 HydrophobicContact CB-CD1 4.03Å; L303-L314 HydrophobicContact CD2-CD1 4.32Å; L303-L314 HydrophobicContact CD2-CD2 4.32Å; L303-L314 HydrophobicContact CG-CD1 4.33Å; A304-L314 HydrophobicContact CB-CD1 3.93Å; A304-L314 VanDerWaalsContact N-CD1 3.34Å; L309-L314 HydrophobicContact CB-CD2 4.11Å; L309-L314 HydrophobicContact CB-CG 4.2Å; L309-L314 HydrophobicContact CD1-CD2 3.87Å; T310-L314 PolarHBondContact O-N 3.44Å; K311-L314 PolarHBondContact O-N 3.47Å
315Q71.3Confident63.3Low110 Ų11095.1 Ų95.151%0.51449%0.486SS..THydrogen-bonded Turntrans-86-7.5174.6-73.1174.7-4900114L300 K311 R312 E317L300-Q315 HydrophobicContact CD2-CG 3.36Å; L300-Q315 HydrophobicContact CG-CG 4.48Å; K311-Q315 VanDerWaalsContact O-CG 3.31Å; K311-Q315 WeakPolarHBondContact O-CG 3.22Å; K311-Q315 PolarHBondContact O-N 2.88Å; R312-Q315 PolarHBondContact O-N 3.38Å; Q315-E317 PolarHBondContact O-N 3.44Å
316G63.7Low60.8Low27 Ų2790.1 Ų90.128%0.27847%0.466SS..  trans-68.2102.1179.700000111.1R312 Q318 I319R312-G316 PolarHBondContact O-N 3.49Å; G316-Q318 PolarHBondContact O-N 3.35Å; G316-I319 PolarHBondContact O-N 3.22Å
317E48.8Very low58.3Low165 Ų16589.4 Ų89.477%0.77148%0.476SS*.Hα-helixtrans-51-30.8178.7-64.6-173.3133.200112.6Q315 I319 L320 G321Q315-E317 PolarHBondContact O-N 3.44Å; E317-I319 PolarHBondContact O-N 3.35Å; E317-L320 CarbonylContact O-C 3.56Å; E317-L320 PolarHBondContact O-N 3.06Å; E317-G321 PolarHBondContact O-N 3.13Å
318Q46Very low56.1Low180 Ų180100 Ų10084%0.84152%0.515SS*.Hα-helixtrans-62.5-20.2175.9-66.8-174.6-4.400115.1G316G316-Q318 PolarHBondContact O-N 3.35Å
319I51.8Low53.8Low57 Ų57107.8 Ų107.829%0.29252%0.523SS..Hα-helixtrans-88.7-26.1174.8-61.9155.1000110.6F277 M285 V313 G316 E317F277-I319 HydrophobicContact CE2-CD1 4Å; F277-I319 HydrophobicContact CE2-CG1 4.14Å; F277-I319 HydrophobicContact CE2-CG2 4.36Å; F277-I319 HydrophobicContact CZ-CD1 3.59Å; F277-I319 HydrophobicContact CZ-CG1 4.25Å; M285-I319 HydrophobicContact CE-CG2 3.87Å; V313-I319 HydrophobicContact CG1-CD1 4.15Å; V313-I319 VanDerWaalsContact O-CD1 3.23Å; V313-I319 WeakPolarHBondContact O-CD1 3.47Å; G316-I319 PolarHBondContact O-N 3.22Å; E317-I319 PolarHBondContact O-N 3.35Å
320L51.3Low51.1Low41 Ų41114 Ų11422%0.21556%0.555CS.*Hα-helixtrans-88.9-24178.9-79.4160.8000113.7F289 E317 H322 Y323 S324F289-L320 HydrophobicContact CB-CD2 4.35Å; F289-L320 HydrophobicContact CD1-CD2 3.57Å; F289-L320 HydrophobicContact CD2-CD2 3.68Å; F289-L320 HydrophobicContact CE1-CD1 3.88Å; F289-L320 HydrophobicContact CE1-CD2 3.6Å; F289-L320 HydrophobicContact CE1-CG 4.38Å; F289-L320 HydrophobicContact CE2-CD2 3.77Å; F289-L320 HydrophobicContact CG-CD2 3.6Å; F289-L320 HydrophobicContact CZ-CD1 3.87Å; F289-L320 HydrophobicContact CZ-CD2 3.72Å; F289-L320 HydrophobicContact CZ-CG 4.29Å; E317-L320 CarbonylContact O-C 3.56Å; E317-L320 PolarHBondContact O-N 3.06Å; L320-H322 PolarHBondContact O-N 3.26Å; L320-Y323 PolarHBondContact O-N 3.08Å; L320-S324 PolarHBondContact O-N 3.32Å; L320-S324 PolarHBondContact O-OG 3.31Å
321G43.9Very low48.7Very low52 Ų52119.4 Ų119.454%0.53657%0.571SS.*THydrogen-bonded Turntrans-59.4-13.5-177.900000116E317E317-G321 PolarHBondContact O-N 3.13Å
322H42.4Very low46.4Very low167 Ų167121.8 Ų121.877%0.77359%0.586SS**THydrogen-bonded Turntrans-90.8-3.5171.9-80.8-69.8000114.7L320L320-H322 PolarHBondContact O-N 3.26Å
323Y44Very low44.9Very low142 Ų142120.9 Ų120.956%0.55761%0.609SS**THydrogen-bonded Turntrans-134.8-10179.7-70.1-78.8000114.2K286 L320 H325K286-Y323 VanDerWaalsContact CE-CZ 3.47Å; K286-Y323 WeakPolarHBondContact CE-OH 3.44Å; K286-Y323 PolarHBondContact NZ-OH 2.97Å; L320-Y323 PolarHBondContact O-N 3.08Å; Y323-H325 VanDerWaalsContact C-N 3.34Å; Y323-H325 PolarHBondContact O-N 2.81Å; Y323-H325 VanDerWaalsContact O-N 3.13Å
324S36Very low43.5Very low56 Ų56124.8 Ų124.839%0.39263%0.626SS.*  trans-86.464.3177.760.20000112.8L320 T326L320-S324 PolarHBondContact O-N 3.32Å; L320-S324 PolarHBondContact O-OG 3.31Å; S324-T326 PolarHBondContact O-N 2.83Å
325H34.9Very low41.8Very low170 Ų170131.2 Ų131.279%0.78766%0.658SS**  trans-7949.4163.2-149.9-70.6000110.4Y323 S327Y323-H325 VanDerWaalsContact C-N 3.34Å; Y323-H325 PolarHBondContact O-N 2.81Å; Y323-H325 VanDerWaalsContact O-N 3.13Å; H325-S327 PolarHBondContact O-N 3.12Å
326T33.3Very low40.2Very low62 Ų62132.3 Ų132.338%0.3867%0.666SS.*  trans-84.6106.3-171.947.60000110.7H293 S324 R328H293-T326 HydrophobicContact CB-CG2 3.76Å; S324-T326 PolarHBondContact O-N 2.83Å; T326-R328 PolarHBondContact O-N 3.05Å
327S31.7Very low38.8Very low101 Ų101138.5 Ų138.571%0.70669%0.689SS**  trans-50109.9169.6-174.70000110.6H325 R329H325-S327 PolarHBondContact O-N 3.12Å; S327-R329 VanDerWaalsContact C-N 3.26Å; S327-R329 PolarHBondContact O-N 2.97Å
328R36.6Very low38.2Very low231 Ų231136.9 Ų136.987%0.87268%0.683SS**  trans-73.484.1172.9-71.8-170.3-178.1-1581.4108.7T326 L330T326-R328 PolarHBondContact O-N 3.05Å; R328-L330 VanDerWaalsContact C-N 3.32Å; R328-L330 PolarHBondContact O-N 3.35Å
329R31.7Very low37.6Very low234 Ų234134 Ų13488%0.88367%0.673SS**  trans-67.491.3171.7-161.3179.5-162.7-175.86.1108.6S327 K331S327-R329 VanDerWaalsContact C-N 3.26Å; S327-R329 PolarHBondContact O-N 2.97Å; R329-K331 PolarHBondContact O-N 3.11Å
330L27.7Very low36.6Very low154 Ų154139.5 Ų139.581%0.80670%0.7SS**  trans-57.8119.6175.6-73.9170.6000109.3R328R328-L330 VanDerWaalsContact C-N 3.32Å; R328-L330 PolarHBondContact O-N 3.35Å
331K28.6Very low35.5Very low205 Ų205147.1 Ų147.189%0.89174%0.737SS**  trans-107.5104.6167.7-155.2175.5-176.3-174.30106.1R329R329-K331 PolarHBondContact O-N 3.11Å
332I26.9Very low34.8Very low141 Ų141155 Ų15572%0.72375%0.754SS**  trans-82.6143.3171.3-66.4176.2000106
333P43.8Very low34.1Very low197 Ų197153.9 Ų153.9100%1.27975%0.752SS**  trans-49.30-162.914.6-32.8000116.4

Retrieved 333 of 333 residues in 356.5 ms (Link to these results)