A0A087YNL5_POEFO Loading...

Kruppel like factor 17

AlphaFold DB , UniProt , Accession A0A087YNL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low38.4Very low214 Ų214107.6 Ų107.6100%1.05464%0.643SS**  0-91.10-55.6-56.1-88.400110.3V3 A4M1-V3 PolarHBondContact O-N 3.22Å; M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 2.93Å
2A30.6Very low38.5Very low89 Ų89108.1 Ų108.174%0.73665%0.647SS**THydrogen-bonded Turntrans-57.7-5-165.300000119.5
3V36.5Very low38.6Very low117 Ų117106.3 Ų106.371%0.70964%0.643SS**THydrogen-bonded Turntrans-95.1-19.7174.3-175.70000112.1M1M1-V3 PolarHBondContact O-N 3.22Å
4A35.4Very low38.4Very low65 Ų65107.4 Ų107.454%0.53764%0.635SS.*SBendtrans-75.1-33.9-176.900000113.3M1 A6 M8M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 2.93Å; A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 3.26Å; A4-M8 WeakPolarHBondContact O-CG 3.38Å
5E38Very low38.1Very low159 Ų159108.5 Ų108.574%0.74365%0.647SS**THydrogen-bonded Turntrans-75.7-18.4-175.2-66.8174.6117.500113.3P9E5-P9 WeakPolarHBondContact O-CD 3.28Å
6A39Very low37.8Very low76 Ų76108.6 Ų108.663%0.62864%0.643SS**THydrogen-bonded Turntrans-82.4-22.7-178.600000114.5A4A4-A6 VanDerWaalsContact C-N 3.31Å; A4-A6 PolarHBondContact O-N 3.26Å
7L42.2Very low37.6Very low109 Ų109110.3 Ų110.357%0.57164%0.641SS**THydrogen-bonded Turntrans-106.9-27.5-171.9-75168.9000114.4A10L7-A10 PolarHBondContact O-N 2.86Å
8M41Very low37.3Very low128 Ų128114.9 Ų114.963%0.63165%0.652SS**Hα-helixtrans-58.7-41.1179.2-67.4-64.9-71.500113.9A4 A10 L11 T12A4-M8 WeakPolarHBondContact O-CG 3.38Å; M8-A10 PolarHBondContact O-N 2.96Å; M8-L11 PolarHBondContact O-N 2.6Å; M8-T12 PolarHBondContact O-OG1 3.29Å
9P40Very low36.9Very low89 Ų89112.5 Ų112.558%0.57865%0.647SS**Hα-helixtrans-65.9-22.3178.6-21.334.1000114.4E5E5-P9 WeakPolarHBondContact O-CD 3.28Å
10A40.9Very low36.4Very low54 Ų54114.6 Ų114.645%0.44665%0.653SS.*Hα-helixtrans-85.5-16.2-176.100000113.7L7 M8 S13 F14L7-A10 PolarHBondContact O-N 2.86Å; M8-A10 PolarHBondContact O-N 2.96Å; A10-S13 PolarHBondContact O-OG 3.38Å; A10-F14 WeakPolarHBondContact O-CE2 3.2Å
11L40.4Very low36.2Very low84 Ų84116.5 Ų116.544%0.4466%0.662SS.*Hα-helixtrans-100.7-23.7-178.1-64.6175.4000113M8 S13M8-L11 PolarHBondContact O-N 2.6Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.91Å
12T39.9Very low35.8Very low113 Ų113113.7 Ų113.769%0.69365%0.651SS**THydrogen-bonded Turntrans-79.3-2.8178.851.90000114.5M8M8-T12 PolarHBondContact O-OG1 3.29Å
13S38.7Very low35.6Very low85 Ų85115.8 Ų115.859%0.59464%0.643SS**THydrogen-bonded Turntrans-86.9-9.6177.354.30000114A10 L11A10-S13 PolarHBondContact O-OG 3.38Å; L11-S13 VanDerWaalsContact C-N 3.27Å; L11-S13 PolarHBondContact O-N 2.91Å
14F36.4Very low35.3Very low122 Ų122119.1 Ų119.154%0.53565%0.651SS.*SBendtrans-93.1119.8-179.8-69-83.4000111.2A10 N16 F17A10-F14 WeakPolarHBondContact O-CE2 3.2Å; F14-N16 PolarHBondContact O-N 3.34Å; F14-F17 PolarHBondContact O-N 2.89Å
15P33.4Very low35.1Very low124 Ų124123 Ų12381%0.80566%0.662SS**THydrogen-bonded Turntrans-69.1-10.2-16825.4-34.6000115.9
16N33.4Very low34.5Very low110 Ų110121.2 Ų121.259%0.58867%0.666SS**THydrogen-bonded Turntrans-118.521.8-179.2-81-6.7000114F14 K18 D70F14-N16 PolarHBondContact O-N 3.34Å; N16-K18 PolarHBondContact O-N 3.36Å; N16-D70 PolarHBondContact ND2-OD1 2.5Å
17F34.8Very low34Very low137 Ų137122.9 Ų122.960%0.60166%0.664SS**  trans-69.798177.4-170.5-92.5000112.3F14 A19F14-F17 PolarHBondContact O-N 2.89Å; F17-A19 HydrophobicContact CE1-CB 4.19Å
18K33Very low33.4Very low193 Ų193123.9 Ų123.984%0.83967%0.668SS**  trans-105.899176.9-162.5168.5-170.4169.30110.7N16 M20N16-K18 PolarHBondContact O-N 3.36Å; K18-M20 PolarHBondContact O-N 3.14Å
19A29.4Very low32.9Very low69 Ų69122.8 Ų122.857%0.5766%0.664SS**  trans-58131.4173.800000110.6F17F17-A19 HydrophobicContact CE1-CB 4.19Å
20M26.6Very low32.5Very low154 Ų154125.8 Ų125.876%0.75967%0.671SS**  trans-85.6121.5170.1-81.9-163170.600110.4K18 N22K18-M20 PolarHBondContact O-N 3.14Å; M20-N22 PolarHBondContact O-N 2.93Å
21D31.3Very low32.1Very low156 Ų156132 Ų13283%0.83468%0.683SS**THydrogen-bonded Turntrans-67.565.7173.4-62.2-55.3000112.4
22N31.2Very low31.8Very low155 Ų155133.8 Ų133.883%0.82970%0.697SS**THydrogen-bonded Turntrans-164.218.1165.5-105.1-72.1000113.9M20 Q24M20-N22 PolarHBondContact O-N 2.93Å; N22-Q24 PolarHBondContact O-N 3.49Å
23F27.2Very low31.6Very low132 Ų132137.8 Ų137.858%0.57970%0.699SS**  trans-7297.4170-109.9-86.9000110.6L25 L75F23-L25 PolarHBondContact O-N 3.41Å; F23-L75 HydrophobicContact CZ-CB 4.08Å; F23-L75 HydrophobicContact CZ-CD1 4.18Å
24Q28.9Very low31.3Very low188 Ų188137.1 Ų137.188%0.87970%0.695SS**  trans-70.584.3157.8-73.1-165.9-86.300108.7N22 C26N22-Q24 PolarHBondContact O-N 3.49Å; Q24-C26 PolarHBondContact O-N 2.95Å
25L30.8Very low31.4Very low146 Ų146135.3 Ų135.376%0.76471%0.71SS**  trans-52.2132.9157.4-74165.4000108.3F23 N27F23-L25 PolarHBondContact O-N 3.41Å; L25-N27 PolarHBondContact O-N 3.32Å; L25-N27 VanDerWaalsContact O-N 3.07Å
26C26.7Very low31.3Very low122 Ų122133.7 Ų133.782%0.82471%0.707SS**  trans-59.7115.4172.8-63.80000108.5Q24 M28Q24-C26 PolarHBondContact O-N 2.95Å; C26-M28 PolarHBondContact O-N 2.67Å
27N27.2Very low31.6Very low111 Ų111135.6 Ų135.659%0.59472%0.723SS**  trans-75101.5-167.5-168.7-1.4000111.5L25 D29L25-N27 PolarHBondContact O-N 3.32Å; L25-N27 VanDerWaalsContact O-N 3.07Å; N27-D29 PolarHBondContact O-N 2.8Å; N27-D29 WeakPolarHBondContact OD1-CB 3.49Å; N27-D29 PolarHBondContact OD1-N 3.49Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; N27-D29 PolarHBondContact OD1-OD2 3.3Å
28M31.1Very low31.7Very low129 Ų129132.8 Ų132.864%0.63573%0.733SS**G310 helixtrans-66.2-14.2178.1-83.7-74-172.300113.8C26 E30 W31 V32C26-M28 PolarHBondContact O-N 2.67Å; M28-E30 PolarHBondContact O-N 3.01Å; M28-E30 VanDerWaalsContact O-N 3.15Å; M28-W31 PolarHBondContact O-N 2.99Å; M28-W31 HydrophobicContact SD-CB 4.29Å; M28-W31 HydrophobicContact SD-CE3 4.39Å; M28-V32 PolarHBondContact O-N 2.88Å
29D29.7Very low31.6Very low106 Ų106127.1 Ų127.157%0.56773%0.729SS**G310 helixtrans-67.7-11.7-177.5-69-30.4000114.5N27 R33N27-D29 PolarHBondContact O-N 2.8Å; N27-D29 WeakPolarHBondContact OD1-CB 3.49Å; N27-D29 PolarHBondContact OD1-N 3.49Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; N27-D29 PolarHBondContact OD1-OD2 3.3Å; D29-R33 PolarHBondContact O-NE 2.92Å; D29-R33 PolarHBondContact O-NH2 3.42Å
30E31.9Very low32.1Very low152 Ų152131.1 Ų131.171%0.7175%0.747SS**G310 helixtrans-85.9-29.9168.1-70.7-163124.200112.9M28 R33M28-E30 PolarHBondContact O-N 3.01Å; M28-E30 VanDerWaalsContact O-N 3.15Å; E30-R33 PolarHBondContact O-N 3.23Å
31W31.2Very low32.3Very low185 Ų185127 Ų12770%0.70174%0.744SS**G310 helixtrans-71-37.9-177.4-155.460.8000112.1M28 R33 S34M28-W31 PolarHBondContact O-N 2.99Å; M28-W31 HydrophobicContact SD-CB 4.29Å; M28-W31 HydrophobicContact SD-CE3 4.39Å; W31-R33 PolarHBondContact O-N 2.89Å; W31-R33 VanDerWaalsContact O-N 3.14Å; W31-S34 PolarHBondContact O-N 3.23Å; W31-S34 PolarHBondContact O-OG 3.45Å; W31-S34 VanDerWaalsContact O-OG 3.12Å
32V35.1Very low32.3Very low121 Ų121125.3 Ų125.373%0.73374%0.744SS**G310 helixtrans-68-11.1178.3-176.20000112.7M28M28-V32 PolarHBondContact O-N 2.88Å
33R35.2Very low32.3Very low197 Ų197122 Ų12274%0.74374%0.739SS**G310 helixtrans-93.2-8.2177.8-111.4171.9-66.81721.2114.9D29 E30 W31D29-R33 PolarHBondContact O-NE 2.92Å; D29-R33 PolarHBondContact O-NH2 3.42Å; E30-R33 PolarHBondContact O-N 3.23Å; W31-R33 PolarHBondContact O-N 2.89Å; W31-R33 VanDerWaalsContact O-N 3.14Å
34S33.3Very low32.4Very low71 Ų71125.2 Ų125.250%0.49775%0.747SS.*SBendtrans-106.8100.2169.450.90000109.8W31 A36W31-S34 PolarHBondContact O-N 3.23Å; W31-S34 PolarHBondContact O-OG 3.45Å; W31-S34 VanDerWaalsContact O-OG 3.12Å; S34-A36 PolarHBondContact O-N 2.69Å
35G37.3Very low32.6Very low84 Ų84121.4 Ų121.487%0.86673%0.731SS**  trans-68.785.5-173.700000114.3
36A32.8Very low32.4Very low89 Ų89121.4 Ų121.474%0.73673%0.727SS**  trans-107.378.1176.500000111.4S34 G38S34-A36 PolarHBondContact O-N 2.69Å; A36-G38 PolarHBondContact O-N 3.08Å; A36-G38 VanDerWaalsContact O-N 3.16Å
37T39.6Very low32.7Very low150 Ų150119.5 Ų119.592%0.9271%0.712SS**  trans-80.289.7175.151.60000111.1
38G37.3Very low32.9Very low79 Ų79118.8 Ų118.881%0.81471%0.708SS**  trans16586.1172.600000114.9A36A36-G38 PolarHBondContact O-N 3.08Å; A36-G38 VanDerWaalsContact O-N 3.16Å
39G29.5Very low32.9Very low73 Ų73117.7 Ų117.775%0.75370%0.704SS**  trans168.3112.2171.400000113.6G41G39-G41 PolarHBondContact O-N 3.22Å
40T40.6Very low33.2Very low154 Ų154114.8 Ų114.895%0.94569%0.692SS**  trans-8261.5173.351.70000111.2S42T40-S42 PolarHBondContact O-N 3.19Å
41G30.5Very low33.4Very low68 Ų68111.9 Ų111.970%0.70168%0.68SS**  trans-73.9117.3175.300000111.5G39 A43G39-G41 PolarHBondContact O-N 3.22Å; G41-A43 PolarHBondContact O-N 2.8Å
42S30.8Very low33.6Very low119 Ų119104.8 Ų104.883%0.83266%0.658SS**  trans-86.395.3174-167.10000110.2T40 R44T40-S42 PolarHBondContact O-N 3.19Å; S42-R44 PolarHBondContact O-N 3.42Å; S42-R44 VanDerWaalsContact O-N 3.09Å
43A32.4Very low33.6Very low87 Ų87103.7 Ų103.772%0.71964%0.644SS**  trans-72.998.1175.500000110.6G41 I45G41-A43 PolarHBondContact O-N 2.8Å; A43-I45 PolarHBondContact O-N 2.97Å
44R29.3Very low33.4Very low199 Ų19996.6 Ų96.675%0.75163%0.625SS**  trans-73.1114.6168.1-109.1-176.2173.6161.6-2.3109.5S42S42-R44 PolarHBondContact O-N 3.42Å; S42-R44 VanDerWaalsContact O-N 3.09Å
45I32Very low33.5Very low108 Ų10898.5 Ų98.555%0.55464%0.635SS**  trans-101.2103.4171-56.2178000107.4A43 V47 T78A43-I45 PolarHBondContact O-N 2.97Å; I45-V47 HydrophobicContact CG2-CG2 3.88Å; I45-T78 HydrophobicContact CG2-CG2 3.72Å
46E28Very low33.3Very low146 Ų14699.2 Ų99.268%0.68263%0.627SS**  trans-87.9126.5169.9-66.7-177.3175.200109.1
47V31.1Very low33.4Very low81 Ų8199.1 Ų99.149%0.49163%0.626SS.*  trans-117.6103.4-178.6-175.50000108.8I45 L49 L75I45-V47 HydrophobicContact CG2-CG2 3.88Å; V47-L49 HydrophobicContact CG1-CG 4.4Å; V47-L49 PolarHBondContact O-N 2.47Å; V47-L75 HydrophobicContact CG1-CD2 3.54Å
48D33Very low33Very low96 Ų9697 Ų9751%0.51362%0.624SS.*  trans-79.7104.4178-169.8-24.6000110.2S50D48-S50 PolarHBondContact O-N 3.35Å; D48-S50 PolarHBondContact OD1-OG 2.66Å
49L31.2Very low32.7Very low106 Ų106101.9 Ų101.956%0.55563%0.625SS**EExtended strand (participates in β ladder)trans-88.176.2180-82.3155.5000111.1V47 I51 F73 L75V47-L49 HydrophobicContact CG1-CG 4.4Å; V47-L49 PolarHBondContact O-N 2.47Å; L49-I51 PolarHBondContact O-N 3.42Å; L49-F73 HydrophobicContact CD2-CD1 3.87Å; L49-L75 HydrophobicContact CD2-CD2 4.29Å
50S35.1Very low33.2Very low46 Ų46107 Ų10732%0.32263%0.627SS.*EExtended strand (participates in β ladder)trans-73.2109173.5-71.60000111.8D48 V52D48-S50 PolarHBondContact O-N 3.35Å; D48-S50 PolarHBondContact OD1-OG 2.66Å; S50-V52 PolarHBondContact O-N 2.91Å
51I36.1Very low32.8Very low90 Ų90106.7 Ų106.746%0.46262%0.619SS.*EExtended strand (participates in β ladder)trans-73119.1171.4-61.4174.6000109.4L49 L71 F73L49-I51 PolarHBondContact O-N 3.42Å; I51-L71 HydrophobicContact CG2-CD2 3.61Å; I51-F73 HydrophobicContact CD1-CE1 4.39Å; I51-F73 HydrophobicContact CG1-CD1 4.34Å; I51-F73 HydrophobicContact CG1-CE1 3.89Å
52V35.3Very low33.2Very low37 Ų37110.6 Ų110.622%0.22462%0.624CS.*EExtended strand (participates in β ladder)trans-124.5116.7178.31790000109.7S50 S54 E72 I74S50-V52 PolarHBondContact O-N 2.91Å; V52-S54 PolarHBondContact O-N 3.26Å; V52-E72 PolarHBondContact N-O 3.06Å; V52-I74 HydrophobicContact CB-CD1 3.97Å; V52-I74 HydrophobicContact CB-CG1 4.43Å; V52-I74 HydrophobicContact CG1-CD1 4.22Å; V52-I74 HydrophobicContact CG2-CD1 4.13Å
53H35.2Very low33.6Very low98 Ų98112.5 Ų112.545%0.45463%0.625SS.*  trans-80.7107.9173-71.289.6000109.8L71H53-L71 WeakPolarHBondContact NE2-CD2 3.19Å
54S31.9Very low33.8Very low47 Ų47116.1 Ų116.133%0.32963%0.627SS.*  trans-91.5122.6171.5-69.50000110.2V52 S56 E72V52-S54 PolarHBondContact O-N 3.26Å; S54-S56 PolarHBondContact O-N 3.23Å; S54-S56 VanDerWaalsContact O-N 3.11Å; S54-E72 WeakPolarHBondContact CB-OE2 3.11Å; S54-E72 PolarHBondContact OG-OE2 3.21Å
55P35.5Very low34.1Very low111 Ų111114.4 Ų114.472%0.72163%0.632SS**  trans-70.7108.3168.128-31.6000109.3
56S31.2Very low34Very low100 Ų100112 Ų11270%0.69963%0.633SS**PPolyproline II helixtrans-62.7154.2174.3-166.30000111.3S54S54-S56 PolarHBondContact O-N 3.23Å; S54-S56 VanDerWaalsContact O-N 3.11Å
57A35.5Very low34.1Very low86 Ų86115.4 Ų115.471%0.71165%0.646SS**PPolyproline II helixtrans-76.7131.7-177.500000110.8H59A57-H59 PolarHBondContact O-N 3.37Å
58A31.2Very low34.1Very low105 Ų105119.8 Ų119.887%0.86866%0.659SS**PPolyproline II helixtrans-60.6121.6-177.200000112.2
59H31.3Very low33.9Very low183 Ų183121.7 Ų121.785%0.84767%0.668SS**PPolyproline II helixtrans-71.1141.9146.7-84.8-105000108.4A57A57-H59 PolarHBondContact O-N 3.37Å
60K39.5Very low33.9Very low181 Ų181120.3 Ų120.379%0.78766%0.661SS**PPolyproline II helixtrans-83.6137.2150.5-65.6-176173.5-171.50106.9
61D33Very low33.9Very low147 Ų147122.2 Ų122.279%0.78667%0.667SS**  166.5121.9121.2-74.5-14.3000107.7
62D37.9Very low33.7Very low149 Ų149122.3 Ų122.380%0.79767%0.666SS**  trans13.2128.7171.1-48.7-28.1000123.4
63D39.4Very low33.5Very low159 Ų159125.8 Ų125.885%0.8568%0.678SS**  trans70.8150147.1-67.8-32.9000124.5
64E36.5Very low33.5Very low164 Ų164124.8 Ų124.877%0.76668%0.675SS**  trans60.5104.8167.2-75.9-72.584.900121.9
65L36.6Very low33.5Very low162 Ų162127 Ų12785%0.84868%0.683SS**  trans54.674.8133.8-129.276.1000120.5
66G29.1Very low33.3Very low57 Ų57124.6 Ų124.659%0.58867%0.669SS**  trans-160.286.8167.500000116.2F68G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 2.56Å
67K29.9Very low33.3Very low219 Ų219126.5 Ų126.595%0.95267%0.672SS**  trans-79.274.2173.4-72.4-175.6-179.9175.70112.2
68F31.2Very low33.2Very low173 Ų173127 Ų12776%0.75967%0.665SS**  trans-76.4125.6168.5-78.8-88.5000111G66G66-F68 VanDerWaalsContact C-N 3.33Å; G66-F68 PolarHBondContact O-N 2.56Å
69L29.3Very low33.3Very low136 Ų136127.4 Ų127.471%0.71265%0.652SS**  trans-92.896.2169.8-75.3168.4000108.6L71L69-L71 PolarHBondContact O-N 3.41Å; L69-L71 VanDerWaalsContact O-N 3.08Å
70D31Very low33.2Very low76 Ų76124 Ų12441%0.40665%0.647SS.*  trans-71.4102174.1-80.2-39.8000110.8N16 E72N16-D70 PolarHBondContact ND2-OD1 2.5Å; D70-E72 PolarHBondContact O-N 2.78Å
71L34.3Very low32.8Very low86 Ų86120.3 Ų120.345%0.4564%0.641SS.*  trans-87.892.2174.9-74.8161.4000110.2I51 H53 L69 F73I51-L71 HydrophobicContact CG2-CD2 3.61Å; H53-L71 WeakPolarHBondContact NE2-CD2 3.19Å; L69-L71 PolarHBondContact O-N 3.41Å; L69-L71 VanDerWaalsContact O-N 3.08Å; L71-F73 HydrophobicContact CB-CE2 4.27Å; L71-F73 PolarHBondContact O-N 3.19Å
72E32.8Very low32.5Very low93 Ų93120.1 Ų120.144%0.43564%0.64SS.*EExtended strand (participates in β ladder)trans-75.7114.1169-71.9-167.213500110.9V52 S54 D70V52-E72 PolarHBondContact N-O 3.06Å; S54-E72 WeakPolarHBondContact CB-OE2 3.11Å; S54-E72 PolarHBondContact OG-OE2 3.21Å; D70-E72 PolarHBondContact O-N 2.78Å
73F32Very low32.1Very low109 Ų109118.2 Ų118.248%0.47864%0.638SS.*EExtended strand (participates in β ladder)trans-87113.7170.9-71.7-87000110.5L49 I51 L71L49-F73 HydrophobicContact CD2-CD1 3.87Å; I51-F73 HydrophobicContact CD1-CE1 4.39Å; I51-F73 HydrophobicContact CG1-CD1 4.34Å; I51-F73 HydrophobicContact CG1-CE1 3.89Å; L71-F73 HydrophobicContact CB-CE2 4.27Å; L71-F73 PolarHBondContact O-N 3.19Å
74I34.3Very low31.8Very low77 Ų77116.8 Ų116.840%0.39564%0.635SS.*EExtended strand (participates in β ladder)trans-101.393.9179.9-52.6-177.1000110.5V52 S76V52-I74 HydrophobicContact CB-CD1 3.97Å; V52-I74 HydrophobicContact CB-CG1 4.43Å; V52-I74 HydrophobicContact CG1-CD1 4.22Å; V52-I74 HydrophobicContact CG2-CD1 4.13Å; I74-S76 PolarHBondContact O-N 2.85Å; I74-S76 VanDerWaalsContact O-N 3.08Å; I74-S76 PolarHBondContact O-OG 2.67Å
75L31.7Very low31.5Very low93 Ų93114.2 Ų114.249%0.48764%0.642SS.*EExtended strand (participates in β ladder)trans-57110.9170.4-71.8174.2000110.7F23 V47 L49F23-L75 HydrophobicContact CZ-CB 4.08Å; F23-L75 HydrophobicContact CZ-CD1 4.18Å; V47-L75 HydrophobicContact CG1-CD2 3.54Å; L49-L75 HydrophobicContact CD2-CD2 4.29Å
76S30.7Very low31.1Very low61 Ų61110.5 Ų110.543%0.42764%0.642SS.*  trans-114.982.9-169-66.80000112.8I74I74-S76 PolarHBondContact O-N 2.85Å; I74-S76 VanDerWaalsContact O-N 3.08Å; I74-S76 PolarHBondContact O-OG 2.67Å
77N32.2Very low31.2Very low141 Ų141114.9 Ų114.975%0.75465%0.652SS**  trans68.6115.8178.4-52-35000116.2
78T34.1Very low31.1Very low95 Ų95110.1 Ų110.158%0.58365%0.647SS**  trans-76.1127.4158.2-32.30000109.1I45I45-T78 HydrophobicContact CG2-CG2 3.72Å
79I33.3Very low30.9Very low114 Ų114108.4 Ų108.459%0.58565%0.646SS**  trans-110.8114172.5-56.6179000108.7T81I79-T81 HydrophobicContact CG2-CG2 4.08Å
80C28.3Very low31Very low111 Ų111113.8 Ų113.875%0.7566%0.656SS**  trans-93.3115.1167.5-59.40000108.7
81T30.6Very low30.7Very low105 Ų105113.5 Ų113.564%0.64467%0.671SS**  trans-102.8120167.7540000109.4I79I79-T81 HydrophobicContact CG2-CG2 4.08Å
82D26.4Very low30.3Very low143 Ų143115.6 Ų115.677%0.76569%0.693SS**  trans-96.5131.9173.1-147.1-23.3000109.7
83S30.5Very low29.9Very low108 Ų108116.2 Ų116.276%0.75571%0.714SS**  trans-119.267.9-168.2-72.90000111.3
84T32.1Very low29.5Very low130 Ų130116.9 Ų116.980%0.79873%0.732SS**  trans-129.5137166.850.50000110.8
85A31Very low30Very low110 Ų110118.6 Ų118.691%0.90975%0.748SS**  trans-113136.317800000109.9
86G28.3Very low29.6Very low83 Ų83120.6 Ų120.686%0.85677%0.765SS**  trans153.9105.5177.500000111.5
87N30.3Very low29.5Very low149 Ų149126 Ų12680%0.79778%0.783SS**  trans-108.1123.7177.9-172.433.4000109.9
88S28.3Very low29.2Very low120 Ų120127.7 Ų127.784%0.83979%0.786SS**  trans-154.3130.3175.3-78.60000110.8
89D28.5Very low28.9Very low137 Ų137132.5 Ų132.573%0.73380%0.802SS**  trans-86.7162.9-176.1-77.1-70.7000114.7
90R30.8Very low28.5Very low249 Ų249135.4 Ų135.494%0.9481%0.813SS**  trans76.4148.1166.9-41.4172.9-157.3-174.45.8115
91G25.2Very low28.3Very low69 Ų69136.3 Ų136.371%0.71182%0.819SS**  cis159.6120-10.400000114.3
92S25.9Very low28Very low130 Ų130134.3 Ų134.391%0.90982%0.819SS**  trans55.897.6156.5-550000120.7
93A24.4Very low27.9Very low107 Ų107138.4 Ų138.488%0.88483%0.825SS**  trans-157.8163.8149.200000111.6
94S23.4Very low27.7Very low122 Ų122139 Ų13985%0.85383%0.83SS**  trans-142.4172.9-179.1-1170000110.5
95P44.7Very low27.5Very low114 Ų114140.7 Ų140.774%0.7483%0.833SS**  -117150.3-128.841.2-35.6000118.2
96T23.5Very low27.9Very low135 Ų135140.1 Ų140.183%0.82882%0.82SS**  trans-163.8162.1156.416.60000107
97Q28Very low27.8Very low174 Ų174143.2 Ų143.281%0.81382%0.817SS**  cis-148.5168.49.1-149.3163.72.500110
98Q25.9Very low27.6Very low176 Ų176141.5 Ų141.582%0.82282%0.817SS**  trans-74.6153.5169-61.5159.9-75.200111.2
99H27.3Very low28.6Very low197 Ų197141.2 Ų141.291%0.91281%0.812SS**  trans-162.9172.2130.8-104.2-67.7000110.5
100Q26.1Very low28.6Very low175 Ų175144.4 Ų144.482%0.81882%0.822SS**  trans-148.1163.8-157-160171.71700111.5
101C22.1Very low28.6Very low130 Ų130138 Ų13888%0.87882%0.816SS**  trans72.4151.4-179.2-540000115.1
102G24.8Very low28.7Very low62 Ų62141.2 Ų141.264%0.63983%0.826SS**  cis178.6155.7-7.200000113.1
103Y25.3Very low28.8Very low229 Ų229138.9 Ų138.990%0.89882%0.822SS**  trans16.1127.3166-55.2-85.1000121.1
104S24.9Very low29Very low122 Ų122137.5 Ų137.585%0.85382%0.819SS**  -172.2144.2106.9-76.90000113.7
105L28.6Very low29.3Very low164 Ų164135.3 Ų135.386%0.85982%0.815SS**  trans-101.7166.3155.8-98.5159.9000106.4
106P39.4Very low28.6Very low98 Ų98135.8 Ų135.864%0.63682%0.821SS**  cis-150.9-172.544.944.6-23.6000118.1
107D25.9Very low28.9Very low149 Ų149137.3 Ų137.380%0.79782%0.823SS**  trans75.2140.9151.2-61.7-37.3000122.8
108S27.6Very low30.2Very low113 Ų113134.2 Ų134.279%0.7982%0.819SS**  trans-115.4-162172.1-44.70000107.3
109P47.5Very low30.3Very low114 Ų114133.3 Ų133.374%0.7482%0.819SS**  cis-128.2170.8-20.940.3-26.9000112.8
110E28.3Very low30.2Very low203 Ų203128.4 Ų128.495%0.94981%0.806SS**  trans-146155.6146.3-79.8-150.1124.600110.6
111S30.8Very low30.5Very low116 Ų116126.1 Ų126.181%0.81180%0.804SS**  trans-142.3142.9-179.667.40000111.6
112C28.5Very low30.9Very low136 Ų136126.1 Ų126.192%0.91980%0.796SS**  trans-154.5116166.7-98.40000111.6
113G27.9Very low31.4Very low80 Ų80131 Ų13183%0.82580%0.801SS**  trans-98.8172138.100000108.5
114G29.1Very low32.2Very low79 Ų79125.4 Ų125.481%0.81479%0.793SS**  cis159.9162.6-2.900000111.5
115G28.8Very low33.8Very low75 Ų75125.5 Ų125.577%0.77379%0.791SS**  trans88.9124.5162.900000118
116S29.8Very low33.9Very low125 Ų125122.3 Ų122.387%0.87478%0.782SS**  -174.2148.9123-780000111.5
117L30.4Very low33.8Very low166 Ų166126.1 Ų126.187%0.86979%0.791SS**  trans-105-171.6173.9-87.892.5000109.5
118P56.1Low34.1Very low110 Ų110126.8 Ų126.871%0.71479%0.794SS**  cis-129.6-178.6-18.525.3-2.7000113.6
119D27.2Very low34.5Very low156 Ų156124.8 Ų124.883%0.83478%0.784SS**  -162.8-178.1117.3-147.1-12.6000112.1
120C25.5Very low33.9Very low94 Ų94128.8 Ų128.864%0.63579%0.793SS**  trans-124.2-169.5-150.9-52.30000116.6
121T31.8Very low34Very low127 Ų127122.7 Ų122.778%0.77979%0.785SS**  trans82.8139.9169.674.20000117.6
122D30.2Very low34Very low131 Ų131128.3 Ų128.370%0.70179%0.79SS**  cis-155.9159.1-9.7-124.4-34.8000116.9
123H35.8Very low35.1Very low164 Ų164127.7 Ų127.776%0.75978%0.784SS**  trans22.7138.1158.9-88.4-67.5000126.8
124P42.8Very low35.4Very low111 Ų111127.2 Ų127.272%0.72178%0.779SS**  trans-118.7159.4141.239-30.2000114
125P57.3Low35.6Very low125 Ų125130 Ų13081%0.81278%0.779SS**  trans-107.1157.7165.738.6-30.5000111.4
126S31.7Very low35.7Very low97 Ų97133 Ų13368%0.67878%0.783SS**  cis-165.6173.625.445.60000107.9
127H36.3Very low35.7Very low177 Ų177131.1 Ų131.182%0.81978%0.783SS**  cis-146.5176.227.2-102.8-88.7000112.6
128L32.8Very low35.6Very low164 Ų164126.3 Ų126.386%0.85977%0.774SS**  trans-79.8167.6-178.6-66.7148.5000114.2
129A35.4Very low34.3Very low70 Ų70131.2 Ų131.258%0.57978%0.784SS**  cis-177.7176.2-22.800000111.7
130Q36.3Very low34.4Very low199 Ų199127.6 Ų127.693%0.9378%0.775SS**  trans76.5136.9167.3-47.5175.921.500116.7
131G29.4Very low34.6Very low75 Ų75131.8 Ų131.877%0.77379%0.786SS**  cis-165.6165.5-3.300000113.7
132Y29.8Very low34.7Very low234 Ų234131.3 Ų131.392%0.91879%0.788SS**  trans-93.7-176.5-168-78.8-87.6000115.2
133P53.2Low34.7Very low123 Ų123130.4 Ų130.480%0.79979%0.792SS**  cis-120.8169.2-7.222.22.1000113.4
134G34.1Very low35.6Very low69 Ų69127.9 Ų127.971%0.71179%0.79SS**  116.8149.355.200000109
135V32.5Very low34.9Very low137 Ų137129.2 Ų129.283%0.8380%0.795SS**  cis-157.8157.78-126.70000112.6
136V31.3Very low33.6Very low140 Ų140134.7 Ų134.785%0.84880%0.8SS**  trans62.6126.2158.2-58.60000124.2
137G28.6Very low33.6Very low85 Ų85134.9 Ų134.988%0.87680%0.801SS**  trans85.2139.6151.900000117.7
138G29.3Very low33.3Very low65 Ų65134.3 Ų134.367%0.6780%0.803SS**  cis165.9149.2-8.500000112.4
139F29.3Very low33.1Very low213 Ų213134.8 Ų134.893%0.93480%0.803SS**  trans70.1112.8171.6-63.3-83.3000120.9
140A29.9Very low33.1Very low79 Ų79136.1 Ų136.165%0.65382%0.815SS**  47.4124.8118.700000123.6
141E29.7Very low32.8Very low182 Ų182136.1 Ų136.185%0.8582%0.815SS**  trans79.5138.2132.9-67.4-176.1140.800124.1
142S32Very low33.1Very low118 Ų118140.3 Ų140.383%0.82582%0.818SS**  trans41.9118.9152.958.50000122.8
143S32.2Very low33.1Very low112 Ų112137.2 Ų137.278%0.78382%0.817SS**  trans-82.3175.8159.9-166.30000111.4
144P52.9Low32Very low110 Ų110137.3 Ų137.371%0.71482%0.815SS**  cis-132.3159.6-4632.7-17.4000114.2
145V29.4Very low32.5Very low139 Ų139139.6 Ų139.684%0.84282%0.817SS**  trans-150.2119.2153.9-163.90000113.8
146R28.9Very low32.2Very low240 Ų240139 Ų13991%0.90681%0.81SS**  trans173.1121.5143.3-97.6167.7-176.8-159.40107.1
147S31.9Very low31.9Very low101 Ų101140.7 Ų140.771%0.70681%0.81SS**  cis79.892.943.6-164.60000114.2
148L29.4Very low31.9Very low165 Ų165141 Ų14186%0.86480%0.799SS**  trans-151.1115.8151.7-83.5174.6000103.9
149M30.3Very low32Very low174 Ų174148.1 Ų148.186%0.85781%0.807SS**  78.1137.771.4-73.1-63.6-177.100113.9
150A35.2Very low32.4Very low99 Ų99144 Ų14482%0.81880%0.802SS**  trans-84.2163.1-16400000114.1
151E30.5Very low32.5Very low199 Ų199148.5 Ų148.593%0.9381%0.81SS**  trans-135.8161.5154.1-117.7-178.9143.600111.1
152L35.5Very low32.5Very low162 Ų162148.9 Ų148.985%0.84881%0.812SS**  trans-100.6157.9-171.5-64.2160.5000110.7
153L29Very low32.3Very low170 Ų170146.4 Ų146.489%0.8980%0.804SS**  174.6138.1126.4-93.7158.3000112.6
154T30.9Very low32.2Very low125 Ų125146 Ų14677%0.76781%0.807SS**  trans-115.5158.7154.963.70000106.2
155P42.8Very low31Very low116 Ų116151.2 Ų151.275%0.75381%0.813SS**  -146.7162.165.138.9-18.8000117.7
156D26.3Very low31.1Very low126 Ų126152.8 Ų152.867%0.67481%0.811SS**  trans35.6128.4134.8-156.5-9.8000121.5
157M26.7Very low31Very low174 Ų174149.2 Ų149.286%0.85780%0.802SS**  trans-153.4156.1140.5-94.3-52.499.200111
158S27.3Very low30.8Very low91 Ų91150.4 Ų150.464%0.63681%0.805SS**  trans-118.4152.2-160.244.40000116.4
159Y31.1Very low30.8Very low215 Ų215147.7 Ų147.784%0.84380%0.8SS**  trans22.6138.5148.3-69.7-73.6000121.2
160P38.9Very low30.8Very low128 Ų128149.5 Ų149.583%0.83180%0.803SS**  -141.7176.175.239.5-23.3000117.1
161E32.3Very low30.5Very low173 Ų173149.1 Ų149.181%0.80880%0.8SS**  trans-82.5165.9175.4-52.7-178.8101.500113
162E29.5Very low30.4Very low190 Ų190150.3 Ų150.389%0.88880%0.796SS**  trans165163.5131.8-97.2-68.6176.500113.7
163G27.4Very low30.1Very low65 Ų65148.9 Ų148.967%0.6779%0.79SS**  trans9284.3147.700000119.3
164A29Very low30.1Very low103 Ų103146.1 Ų146.185%0.85178%0.784SS**  trans-80.5142.9167.400000113.4
165R27.7Very low29.8Very low220 Ų220146.3 Ų146.383%0.8379%0.789SS**  trans-157.6140.5148.7-140.9171.5-170.6158.57.2115.9
166E31.8Very low29.2Very low172 Ų172150.1 Ų150.180%0.80480%0.797SS**  trans-73.2159.6166.8-50.7158.397.200112.6
167K28.5Very low29.2Very low166 Ų166154.2 Ų154.272%0.72281%0.805SS**  trans152.1143.2146-83.8156.4-174.3-173.10109
168T27.4Very low29.3Very low125 Ų125151.4 Ų151.477%0.76780%0.797SS**  cis-154.6156.9-2.84.10000108.9
169S29.7Very low29.5Very low109 Ų109154.9 Ų154.976%0.76280%0.804SS**  trans-61.5145.9163.347.20000111.4
170K29.6Very low29.6Very low211 Ų211153.3 Ų153.392%0.91781%0.809SS**  trans-113.389.7159.4-95.1-176.4174.6174.50108.7
171A27.8Very low29.4Very low91 Ų91158.2 Ų158.275%0.75281%0.811SS**  trans-77.9133.8159.800000108.9
172R29.4Very low29.3Very low224 Ų224154.3 Ų154.385%0.84581%0.808SS**  trans-162.1144.3167.1-83.7-160.2154.9168-4.2107.2
173D27.9Very low29.8Very low133 Ų133153.5 Ų153.571%0.71181%0.809SS**  cis-152.6137.3-21.5-86.9-42.2000105.2
174S29Very low30.1Very low111 Ų111158.4 Ų158.478%0.77682%0.82SS**  trans171.4114.3145.2-171.70000109.3
175C26.3Very low30.3Very low130 Ų130156.9 Ų156.988%0.87881%0.814SS**  trans-108.4127.8157.7-66.40000107.2
176E29.6Very low31.2Very low196 Ų196152.6 Ų152.692%0.91682%0.815SS**  trans-77157.3154.2-71.8-172.4113.600109.5
177Y25.9Very low31.9Very low212 Ų212150.2 Ų150.283%0.83181%0.814SS**  trans-120.2176.8-168.3-179.1-103.4000110.2
178T28.6Very low32.3Very low114 Ų114149.8 Ų149.870%0.69982%0.819SS**  trans73.4141.9-176.876.20000115.3
179E32.2Very low33.3Very low165 Ų165149.7 Ų149.777%0.77182%0.82SS**  cis-138.8150.5-27.5-68.8-157.3131.300107.8
180L32.8Very low33.5Very low182 Ų182153.1 Ų153.195%0.95382%0.824SS**  trans-147.7146.2146-87.8-170.1000111.3
181R34.3Very low33.5Very low230 Ų230148 Ų14887%0.86882%0.821SS**  trans-80.4148.4-171.5-68.8174.9173.5164.1-3.8113.2
182A30.5Very low33.7Very low92 Ų92148.5 Ų148.576%0.7683%0.825SS**  trans-81.7146165.800000112.2
183L40.5Very low33.8Very low173 Ų173143.5 Ų143.591%0.90682%0.824SS**  trans-137.7149.6161.3-73.2177.2000108.6
184N33.4Very low34.9Very low168 Ų168142.9 Ų142.990%0.89883%0.828SS**  trans-103.3124.8-163.2-71.2-68.9000115.1
185G32.8Very low35.8Very low71 Ų71143.2 Ų143.273%0.73283%0.827SS**  trans68.4-174.9141.900000119.7
186P47.7Very low36.2Very low130 Ų130142.5 Ų142.584%0.84482%0.824SS**  cis-116.7-138-4.345.1-30000111.6
187P45.5Very low37Very low122 Ų122138.5 Ų138.579%0.79282%0.815SS**  trans-116-176.6-139.822.93.9000117.1
188L37.6Very low37.4Very low157 Ų157136.6 Ų136.682%0.82282%0.818SS**  trans-59.6163.1-176.9-59.5171000116.1
189P47.7Very low37.4Very low122 Ų122134.3 Ų134.379%0.79282%0.818SS**  -128.1-176.5119.138.6-32.7000114.5
190H33.7Very low37.3Very low182 Ų182136.8 Ų136.884%0.84382%0.821SS**  trans-96.9151-162.5-69.8-108.5000116.5
191A31.2Very low37.2Very low102 Ų102137.6 Ų137.684%0.84382%0.817SS**  trans40.8123.2139.300000122.4
192A30.6Very low37.2Very low102 Ų102134.1 Ų134.184%0.84381%0.814SS**  trans-165.7143.8135.600000112.6
193S32.3Very low37.4Very low119 Ų119139.3 Ų139.383%0.83282%0.819SS**  trans-154157.7165.7-62.60000108.6
194P51.8Low37Very low121 Ų121136.7 Ų136.779%0.78681%0.811SS**  cis-111.1-157.5-24.835.8-16.7000109.5
195P46.5Very low36.9Very low117 Ų117136.6 Ų136.676%0.7681%0.805SS**  -148.7166.878.339.9-21.6000116.3
196S35.9Very low37.5Very low115 Ų115138.9 Ų138.980%0.80481%0.807SS**  trans-99.9148.4152.2-53.90000108.2
197P45.6Very low36.7Very low112 Ų112135.7 Ų135.773%0.72780%0.798SS**  -151.4171.596.139.5-23.3000114.7
198L34.2Very low36Very low172 Ų172136.7 Ų136.790%0.90180%0.801SS**  167.2149.8125.4-89.5171.3000110
199G29.1Very low35.8Very low67 Ų67137.7 Ų137.769%0.69180%0.802SS**  trans-155161.6171.600000110.8
200Y29.7Very low34.9Very low216 Ų216136.9 Ų136.985%0.84780%0.799SS**  trans-154.9134.9176.149.2-97.5000115.6
201K30.8Very low34.7Very low200 Ų200134 Ų13487%0.8780%0.798SS**  trans47115.6142.4-63.4-172.7175.9-176.40120.8
202I35Very low34.6Very low157 Ų157137.5 Ų137.581%0.80580%0.799SS**  trans-61.4155.6153.4-61.1160.9000110.6T204I202-T204 HydrophobicContact CG2-CG2 4.47Å
203K33.6Very low34.5Very low200 Ų200139.2 Ų139.287%0.8780%0.799SS**  trans-126.1143.7158.7-72.6-174.2177-177.40110.3
204T31.5Very low34.4Very low118 Ų118137.7 Ų137.772%0.72479%0.794SS**  trans-117.1-160.3169.749.20000109.8I202I202-T204 HydrophobicContact CG2-CG2 4.47Å
205E31.8Very low33.4Very low166 Ų166138.7 Ų138.778%0.77680%0.797SS**  trans97.7148.7-173.6-56.3-57.6112.100113.8
206P46.4Very low32.7Very low120 Ų120137.8 Ų137.878%0.77980%0.799SS**  -140.4177.7-84.236.4-16000115.7
207G30.5Very low32.4Very low63 Ų63135.9 Ų135.965%0.64980%0.798SS**  trans142.5102.3147.700000120.2
208V31.2Very low31.8Very low143 Ų143134.9 Ų134.987%0.86780%0.799SS**  trans26.9143.8133.6-99.60000121.7
209Q32.7Very low31.4Very low177 Ų177136.6 Ų136.683%0.82780%0.8SS**  cis-148151.225.4-66.1-173.3-40.200115.1
210S29Very low31.6Very low105 Ų105137.8 Ų137.873%0.73480%0.803SS**  trans47.7146.1137.5-129.60000121.8
211C28.4Very low31.7Very low122 Ų122137 Ų13782%0.82481%0.807SS**  cis-138.9177.229.6-770000115.1
212M29.6Very low31.6Very low175 Ų175131.5 Ų131.586%0.86281%0.806SS**  trans-76.9170.8-176.4-47.7177.9-155.500112.4
213V28.5Very low31.5Very low139 Ų139128.8 Ų128.884%0.84281%0.807SS**  cis-149.116244.6173.20000112.2
214A31.6Very low31.4Very low87 Ų87127.7 Ų127.772%0.71980%0.799SS**  trans-74.6-178.7-177.800000114.6
215V30.4Very low31.5Very low142 Ų142127.5 Ų127.586%0.86179%0.794SS**  -147.8159.472.4164.90000113
216A31.8Very low31.7Very low98 Ų98125.3 Ų125.381%0.8178%0.782SS**  trans-51.5171.1178.100000116.3
217G29Very low31Very low75 Ų75127.3 Ų127.377%0.77378%0.78SS**  cis167.71796.100000109
218A32.2Very low31.1Very low91 Ų91132.6 Ų132.675%0.75279%0.788SS**  cis-158.6166.42.200000111.4
219F27.4Very low31.2Very low208 Ų208134.5 Ų134.591%0.91279%0.79SS**  trans7.2149143.9-73-86000121.1
220A31.7Very low31.2Very low91 Ų91137.9 Ų137.975%0.75280%0.795SS**  cis-1541749.700000113.3
221E31.9Very low31.5Very low201 Ų201139.2 Ų139.294%0.93980%0.799SS**  trans-79.7167.4172-53.5174.1123.100113.3
222G29.8Very low32.3Very low83 Ų83139 Ų13986%0.85680%0.796SS**  trans-175.6120.3167.100000112.4
223A33Very low32.4Very low100 Ų100135.1 Ų135.183%0.82679%0.792SS**  trans-127.4154.1-167.600000114.8
224Y30.1Very low32.5Very low177 Ų177132.8 Ų132.869%0.69479%0.787SS**  trans59.192.6145.3-174-95000119.9K226Y224-K226 PolarHBondContact OH-NZ 3.4Å
225D33.6Very low32.4Very low115 Ų115138.7 Ų138.762%0.61580%0.797SS**  69.9153.3107.9-156.719000123.2
226K36.5Very low32.5Very low120 Ų120136.8 Ų136.852%0.52279%0.785SS.*  trans64.4116.9168.3-68.1172.8-171.878.30120Y224Y224-K226 PolarHBondContact OH-NZ 3.4Å
227H32Very low32.5Very low161 Ų161139 Ų13975%0.74578%0.779SS**  -168.5134.395.2-104-57.4000116.8
228Q33.3Very low32.7Very low175 Ų175142.5 Ų142.582%0.81878%0.775SS**  trans71.5161.7143.1-76.517879.700121.9
229M33.6Very low32.9Very low182 Ų182146 Ų14690%0.89778%0.776SS**  trans-110.2151.7-166.4-46167.4-173.400111.7
230R32Very low34.1Very low248 Ų248141.3 Ų141.394%0.93677%0.766SS**  trans-171.5142.5137.7-106.7162-175-169.20.9111.9
231T34.5Very low35.2Very low133 Ų133142.5 Ų142.582%0.81677%0.766SS**  trans-104.9161.7161.8610000108.1
232P46.7Very low35.3Very low119 Ų119139.3 Ų139.377%0.77376%0.76SS**  -151.51668040-20.7000117.7
233A31.6Very low35.4Very low93 Ų93139.5 Ų139.577%0.76975%0.753SS**  trans45.4111.8143.600000123.4
234A30.6Very low35.5Very low90 Ų90139.3 Ų139.374%0.74475%0.752SS**  42.3133.7124.200000123.3
235F28.6Very low35.8Very low210 Ų210139.4 Ų139.492%0.92176%0.758SS**  -160.4175.1114.2-122.1-88.8000112.1
236T32.8Very low35.7Very low102 Ų102136.9 Ų136.963%0.62676%0.76SS**  trans-106.5156.8-167.145.40000115.1
237H32.2Very low35.6Very low145 Ų145141 Ų14167%0.67178%0.778SS**  168.1152.6117.5-103.4-89.3000116.8
238H32.3Very low35.5Very low149 Ų149137.3 Ų137.369%0.6978%0.783SS**  trans48.1155.5154.3-63.7-60.9000122.5
239Q35.8Very low35.5Very low164 Ų164133.4 Ų133.477%0.76678%0.781SS**  cis-171158.1-42.6-128-177.5-50.900108.9
240P53.4Low35.6Very low110 Ų110134.2 Ų134.271%0.71478%0.782SS**  trans-120.7149.9-171.340.9-30.3000117.5
241P55.1Low35.6Very low116 Ų116129.7 Ų129.775%0.75377%0.772SS**  trans-99.8-170.5145.825.3-7.2000110.2
242V34.5Very low35.5Very low134 Ų134131.6 Ų131.681%0.81278%0.775SS**  cis-148.4178.718.5-142.10000111.6
243A32.2Very low34.9Very low86 Ų86133.1 Ų133.171%0.71177%0.772SS**  trans10124.6157.300000120.4
244A34.2Very low35.1Very low96 Ų96134.9 Ų134.979%0.79377%0.768SS**  72.4140.16200000113.4
245Q35.8Very low35.4Very low179 Ų179139.1 Ų139.184%0.83677%0.772SS**  cis-143.5149.637.3-59169.5-7.600114.8
246G32.2Very low35.4Very low62 Ų62132.3 Ų132.364%0.63976%0.761SS**  trans78.5179.8152.300000118.4
247F34Very low35.4Very low208 Ų208138.6 Ų138.691%0.91277%0.773SS**  cis-164.1159.3-24-99.2-48.3000110.6
248G30.3Very low35.3Very low83 Ų83137.1 Ų137.186%0.85678%0.775SS**  trans99.1130.2173.900000114.1
249A32.6Very low35.2Very low93 Ų93136.5 Ų136.577%0.76978%0.777SS**  trans-126.5147.9-174.400000112.2
250H35.9Very low34.8Very low199 Ų199134 Ų13492%0.92178%0.776SS**  -160.7153.3114.1-113.9-86000111
251Q32.4Very low33.9Very low152 Ų152135.1 Ų135.171%0.7178%0.781SS**  trans-109.6142.7-169.8-179.4-173.710.500111.1
252I33.3Very low32.7Very low173 Ų173138 Ų13889%0.88779%0.789SS**  trans-160.9152.7137-99149.2000107.7
253Q33.9Very low32.6Very low151 Ų151139.9 Ų139.971%0.70679%0.789SS**  trans-128.4-155.5-165.1-158.1169.8-13.500109.3
254L35.3Very low33.2Very low130 Ų130140.1 Ų140.168%0.68178%0.783SS**  trans81.1101.9174.1-40.4-175000112.3
255Q35.7Very low33Very low180 Ų180144.7 Ų144.784%0.84179%0.788SS**  96.1132.175.4-84.9161.3-1.200110.8
256G28.4Very low32.8Very low67 Ų67144.3 Ų144.369%0.69179%0.788SS**  cis152.9172.2-7.400000112.4
257R32.9Very low32.8Very low233 Ų233153.1 Ų153.188%0.87980%0.802SS**  trans67.4114.9172.6-77.2-177.4168.8155.1-1.8115.6
258T31Very low33.2Very low114 Ų114149 Ų14970%0.69980%0.797SS**  67.2146.583.671.90000113
259D29.8Very low33.3Very low137 Ų137152.1 Ų152.173%0.73379%0.793SS**  cis-159.2-17427.4-138.1-42.6000114.5
260C27.5Very low33.3Very low111 Ų111156.6 Ų156.675%0.7580%0.797SS**  trans75.9110157.8-65.70000119.9
261T35.3Very low33.2Very low134 Ų134154.6 Ų154.682%0.82279%0.788SS**  trans-64.2156.9153.545.40000112.7
262L29.5Very low33.2Very low177 Ų177156.6 Ų156.693%0.92780%0.797SS**  trans-168.5155138.2-106165.8000111
263Q32.5Very low33.3Very low173 Ų173156 Ų15681%0.80879%0.791SS**  trans-146.3179.6-173.8-148.2-162.912.900109.4
264P45.3Very low33.3Very low91 Ų91156.9 Ų156.959%0.59179%0.794SS**  -95.4177.8-83.735.6-25.5000113.4
265Q30.1Very low33.4Very low191 Ų191157.7 Ų157.789%0.89379%0.794SS**  trans-138.6142.8159.1-69-60.9-23.400110.8
266M30.7Very low33.4Very low171 Ų171155.8 Ų155.884%0.84279%0.789SS**  trans-126140-179.2-73.7-123-69.400111.6
267R32.6Very low33.7Very low247 Ų247160.7 Ų160.793%0.93279%0.793SS**  trans-168162.3160.6-106.4156.4-162.9-113.20.3110.2
268P42Very low33.7Very low122 Ų122157.9 Ų157.979%0.79279%0.79SS**  -129.5-180-117.837.3-18.8000116.4
269L33.1Very low33.9Very low149 Ų149160.2 Ų160.278%0.7879%0.793SS**  trans-48152.6179.6-72.6146.5000116.2
270H32.5Very low34.1Very low186 Ų186161.6 Ų161.686%0.86180%0.8SS**  trans-120.8142.3149.6-126.675.2000109.3
271H33.9Very low34.5Very low158 Ų158163.9 Ų163.973%0.73180%0.799SS**  trans-87.1144.6177.7-89.228.3000111.7
272H32.3Very low34.7Very low194 Ų194165.3 Ų165.390%0.89880%0.802SS**  trans-136139.9147.5-115.554.1000110
273H35.2Very low35.1Very low161 Ų161163.1 Ų163.175%0.74579%0.787SS**  trans-116.7124.9-166.8-158.9-174.5000107.8
274H34.8Very low35.2Very low168 Ų168160.6 Ų160.678%0.77878%0.779SS**  trans-139.2114.9173.8-139.8-76.8000111.2
275H36.2Very low34.7Very low148 Ų148163.5 Ų163.569%0.68579%0.785SS**  trans-72.6143.6166.6-89.9-91.8000109.8
276L36.3Very low34.8Very low139 Ų139161.9 Ų161.973%0.72878%0.782SS**  trans-133.4112.9155.7-76.4177.5000109.5
277H33.6Very low34.8Very low170 Ų170158.9 Ų158.979%0.78778%0.777SS**  trans-88.6119.9159.8-109.8-84.5000107
278H34.3Very low34.8Very low174 Ų174153.1 Ų153.181%0.80678%0.775SS**  trans-88.2132.9160.6-92.8-91.6000109.8
279H35Very low34.5Very low164 Ų164155.4 Ų155.476%0.75978%0.775SS**  trans-135112.3176.8-154.4-63.8000105.6H281H279-H281 PolarHBondContact O-N 2.8Å
280D34.5Very low34.4Very low166 Ų166157.8 Ų157.889%0.88878%0.775SS**  trans-59.7125.3-172.9-82-60.1000111.3
281H34.3Very low34.5Very low158 Ų158156.7 Ų156.773%0.73177%0.772SS**  trans-123.998.7-176.2-148-58.4000108.2H279 Q283H279-H281 PolarHBondContact O-N 2.8Å; H281-Q283 PolarHBondContact O-N 3.03Å
282D40.1Very low34.3Very low165 Ų165157 Ų15788%0.88278%0.779SS**  trans-66.589.6-176.1-149.6-31.9000109.5
283Q37.7Very low34.3Very low131 Ų131152 Ų15261%0.61277%0.772SS**  trans-85123.9-175.9-72.4-145.620.200111.4H281H281-Q283 PolarHBondContact O-N 3.03Å
284N35.1Very low34.5Very low120 Ų120150.4 Ų150.464%0.64278%0.775SS**  trans-130.891.9157.6-172.3-28.9000107.6
285Q34.7Very low34.2Very low152 Ų152153.4 Ų153.471%0.7178%0.781SS**  trans-90.9137.1173.1-70.8-165.253.800110.3
286L33Very low34.2Very low157 Ų157153.7 Ų153.782%0.82278%0.783SS**  trans-156.9125.1146.1-109.7162.8000108.7
287S30.4Very low34.5Very low108 Ų108152.3 Ų152.376%0.75578%0.782SS**  trans40.2109.9165.460.70000119.9
288S31.7Very low34.5Very low125 Ų125152.1 Ų152.187%0.87478%0.781SS**  trans-143.7123.6145.7-73.50000110.1
289Q35.8Very low34.5Very low170 Ų170154.4 Ų154.479%0.79479%0.785SS**  trans-128138.6166.5-68.6-173.5-600108.5
290Y31.2Very low34.4Very low199 Ų199151.3 Ų151.378%0.7879%0.787SS**  trans63.8147.1179.6-54.6-80.4000114.8
291M34.3Very low34.4Very low163 Ų163152.1 Ų152.180%0.80379%0.785SS**  cis-125.2165.80.8-87-60.2176.300112.1
292N30.9Very low34.3Very low164 Ų164156.7 Ų156.788%0.87780%0.796SS**  trans-86.2136.1171.8-67-66.7000112.5
293A31.2Very low33.9Very low90 Ų90152.3 Ų152.374%0.74479%0.79SS**  trans-164.7132.2150.300000110.8
294P39.4Very low33.6Very low127 Ų127150.9 Ų150.983%0.82580%0.8SS**  trans-90.5130179.533.4-31.9000112.7
295Y29.5Very low34Very low231 Ų231151 Ų15191%0.90681%0.808SS**  trans-92.9120.9171.4-113.5-94.3000110.9
296H35.9Very low34Very low154 Ų154152.3 Ų152.371%0.71381%0.814SS**  trans-114.9115.5175-127.1-84.2000109.7H298H296-H298 PolarHBondContact O-N 2.95Å
297P42.2Very low34Very low110 Ų110155.1 Ų155.171%0.71482%0.82SS**  trans-84.8108.2179.631.4-31.7000111.3
298H34.1Very low34.1Very low167 Ų167158.7 Ų158.777%0.77383%0.825SS**  trans-96.9120.2168.5-88.3-87.8000111.2H296H296-H298 PolarHBondContact O-N 2.95Å
299Y33.8Very low34.1Very low222 Ų222156 Ų15687%0.87182%0.816SS**  trans-79.4131.9164.3-83.5-95.4000110.3
300A31.8Very low34Very low99 Ų99156.6 Ų156.682%0.81882%0.819SS**  trans-146.1138.6167.400000110.5
301H34.7Very low34Very low182 Ų182158.1 Ų158.184%0.84383%0.825SS**  trans-95.6169.5177.7-85.7-95.5000112.3
302R33.5Very low33.9Very low255 Ų255156.1 Ų156.196%0.96283%0.827SS**  trans94.7141.5-177.3-56.6172.1-170.7-151.93.4112.7
303G30.4Very low34Very low73 Ų73157 Ų15775%0.75383%0.828SS**  cis176.5131.1-6.900000109.8
304A32.8Very low34.1Very low100 Ų100161.5 Ų161.583%0.82683%0.833SS**PPolyproline II helixtrans-88137-168.300000113.4
305P43.4Very low34.2Very low123 Ų123160.6 Ų160.680%0.79983%0.828SS**PPolyproline II helixtrans-83148.2161.134.2-31.7000110.9
306Q34.1Very low34.4Very low180 Ų180159.1 Ų159.184%0.84183%0.829SS**PPolyproline II helixtrans-95.6148.3170.4-66.9177.4-24.800110.4
307F32Very low34.2Very low215 Ų215159.9 Ų159.994%0.94383%0.833SS**  trans-143.4146.6151.7-131.8-92.3000109.8
308Q34Very low33.8Very low184 Ų184161.9 Ų161.986%0.8683%0.832SS**  trans-96.8145.9-172.8-67.9173.4-26.700111.6
309G31.2Very low33.8Very low67 Ų67162.5 Ų162.569%0.69184%0.835SS**  trans-162.3104.1171.900000110.2
310Q32.8Very low34.6Very low184 Ų184157.3 Ų157.386%0.8683%0.829SS**  trans-92.5132.8179.2-67.7175.5-31.400110.2
311Y32.6Very low34.6Very low231 Ų231157.5 Ų157.591%0.90683%0.83SS**  trans-137123.6164.8-73.5-76000110
312S31.6Very low34.6Very low121 Ų121153.5 Ų153.585%0.84683%0.829SS**  trans-112.3147.9179.1-67.60000110.6
313M32.8Very low34.5Very low182 Ų182146.8 Ų146.890%0.89782%0.821SS**  trans-77.4143.7179.3-63.4-71.2-178.400111.9
314H32.8Very low35Very low184 Ų184151.3 Ų151.385%0.85283%0.827SS**  trans-154.2136.5156-135.8-85.6000112
315P42.4Very low35.2Very low109 Ų109154.7 Ų154.771%0.70883%0.826SS**  trans-95161.5173.536.7-34.1000112.7
316Q33.3Very low34.7Very low200 Ų200152.5 Ų152.594%0.93583%0.825SS**  trans-149.1174.2170.1-123.3171-12.500111.6
317Q32.6Very low34.8Very low170 Ų170152.6 Ų152.679%0.79483%0.828SS**  trans-121.5158-152.3-66.1-175.9-8.500116.5
318H32.7Very low35.1Very low152 Ų152150.6 Ų150.670%0.70482%0.823SS**  trans36.5138.3148.7-67.3-62.1000123.1
319H33.7Very low35.1Very low180 Ų180149.9 Ų149.983%0.83383%0.825SS**  173.2179.3118.5-85.6-62.2000109.8
320P51.4Low35.6Very low113 Ų113152.6 Ų152.673%0.73483%0.828SS**  -140-178.7-97.538.3-14.8000118.9
321A32.1Very low36.4Very low102 Ų102149.5 Ų149.584%0.84382%0.824SS**  trans78.2112.4143.900000124
322A34.3Very low37.2Very low99 Ų99143.9 Ų143.982%0.81882%0.815SS**  trans-175.6103137.200000108.2
323S32Very low37.4Very low113 Ų113143.5 Ų143.579%0.7981%0.813SS**  74.5101.571.2-165.80000116
324L40.6Very low37.6Very low168 Ų168140.2 Ų140.288%0.8881%0.808SS**  trans-164156140-109.6172.5000111.3
325Q36.4Very low38.8Very low172 Ų172136.7 Ų136.780%0.80480%0.801SS**  trans-79.4155.4-169.4-9473.83.800115.7
326G33.8Very low38.5Very low76 Ų76139 Ų13978%0.78481%0.806SS**  trans-165.897.4168.900000113
327M35.7Very low38.8Very low183 Ų183137.4 Ų137.490%0.90180%0.804SS**  trans-47.7125.7-177.4-70.3166.2-175.200114.3
328M38Very low39.2Very low172 Ų172136 Ų13685%0.84780%0.802SS**  55.5112.398.4-71.5-85.5-168.500115.9
329L34.3Very low39.4Very low170 Ų170137.6 Ų137.689%0.8981%0.807SS**  178.7131.2113.6-94.2168.7000111.8
330T41.9Very low39.7Very low123 Ų123139.4 Ų139.476%0.75581%0.808SS**  trans-97.6166.9156.762.70000107.9
331P48.7Very low39.4Very low120 Ų120138.1 Ų138.178%0.77981%0.807SS**  -149.6-146.380.846.5-24.7000111.7
332P51Low40Very low112 Ų112141.6 Ų141.673%0.72781%0.805SS**  -135.6-165.6-122.838.2-13.6000115.5
333S35.2Very low40.4Very low114 Ų114143.3 Ų143.380%0.79780%0.801SS**  trans127.7125.4144.7-50.90000115.6
334S37.5Very low41.2Very low113 Ų113147 Ų14779%0.7981%0.806SS**  trans-85.2-169.1174.3-20.80000111.7
335P56.6Low41.5Very low109 Ų109143 Ų14371%0.70880%0.796SS**  cis-134.5-153-18.533-9.7000112.6
336L36.3Very low41.8Very low157 Ų157138.3 Ų138.382%0.82279%0.794SS**  trans87.6113.7166.9-51.9176.5000115.1
337L39.7Very low41.8Very low168 Ų168140 Ų14088%0.8879%0.793SS**  -157.9146.950.8-97.3158.5000111.8
338D40.4Very low42.5Very low140 Ų140137.3 Ų137.375%0.74979%0.786SS**  trans-74.8145.4159.7-62.2-71.4000110.9
339F38.3Very low42.9Very low185 Ų185138.1 Ų138.181%0.81179%0.785SS**  175160114.9-111.5-93.3000112.3
340Y38.9Very low43.7Very low218 Ų218137.6 Ų137.686%0.85578%0.778SS**  trans70.6116.9176.7-69.5-79.4000118.2
341A46.7Very low43.9Very low86 Ų86141.9 Ų141.971%0.71179%0.786SS**  trans-87.7154.9163.300000110.9
342H42.8Very low43.7Very low176 Ų176147.2 Ų147.282%0.81579%0.791SS**  -166.9160.5122.8-107.3-70.3000112E344H342-E344 PolarHBondContact O-N 3.49Å
343D43.6Very low43.5Very low134 Ų134144.6 Ų144.672%0.71778%0.784SS**  trans-17.6107.8177.7-60.9-108.7000118.8A345D343-A345 VanDerWaalsContact C-N 3.33Å; D343-A345 PolarHBondContact O-N 2.99Å
344E48.5Very low44Very low192 Ų192151.4 Ų151.490%0.89779%0.792SS**  trans-67.688.6158.3-91.5-69.2143.900110H342 G346H342-E344 PolarHBondContact O-N 3.49Å; E344-G346 PolarHBondContact O-N 2.84Å; E344-G346 VanDerWaalsContact O-N 3.14Å
345A48.1Very low44.8Very low83 Ų83154.7 Ų154.769%0.68679%0.792SS**  trans-66.4111-176.100000112D343 C347D343-A345 VanDerWaalsContact C-N 3.33Å; D343-A345 PolarHBondContact O-N 2.99Å; A345-C347 PolarHBondContact O-N 3.45Å
346G42Very low44.2Very low73 Ų73154.1 Ų154.175%0.75379%0.791SS**  trans-56.795.7177.300000113E344 V348E344-G346 PolarHBondContact O-N 2.84Å; E344-G346 VanDerWaalsContact O-N 3.14Å; G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.37Å
347C33.8Very low44.5Very low113 Ų113156.9 Ų156.976%0.76479%0.791SS**  trans-7573.8-173.7-169.50000112.2A345 K349A345-C347 PolarHBondContact O-N 3.45Å; C347-K349 PolarHBondContact O-N 2.84Å
348V49.5Very low45.4Very low125 Ų125154 Ų15476%0.75878%0.78SS**  trans-62.2104.4170.6178.50000108.4G346 Q350G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.37Å; V348-Q350 PolarHBondContact O-N 2.8Å
349K47.2Very low46.7Very low189 Ų189157.3 Ų157.382%0.82278%0.782SS**  trans-65.578.7178.4-67.8-179.3-179.1175.30111C347 K351C347-K349 PolarHBondContact O-N 2.84Å; K349-K351 PolarHBondContact O-N 3.1Å; K349-K351 VanDerWaalsContact O-N 3.15Å
350Q51.1Low48.1Very low160 Ų160157.9 Ų157.975%0.74879%0.785SS**  trans-55.7119.8174.4-72.1-170.8-4.400109.5V348 R352V348-Q350 PolarHBondContact O-N 2.8Å; Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.12Å
351K45.3Very low49.7Very low212 Ų212157.7 Ų157.792%0.92278%0.782SS**  trans-65.688.5171.4-69.4-177.1179.6178.80108.9K349 G353K349-K351 PolarHBondContact O-N 3.1Å; K349-K351 VanDerWaalsContact O-N 3.15Å; K351-G353 PolarHBondContact O-N 3.31Å
352R46.1Very low51.4Low233 Ų233157 Ų15788%0.87978%0.777SS**  trans-6673.2171.3-81-177.1152.8-171.3-5.8110.1Q350 R354Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.12Å; R352-R354 PolarHBondContact O-N 3.1Å
353G45.3Very low53.3Low57 Ų57150.9 Ų150.959%0.58876%0.756SS**  trans-55.1135.8170.400000109.7K351 K355K351-G353 PolarHBondContact O-N 3.31Å; G353-K355 PolarHBondContact O-N 2.87Å
354R46.6Very low55.3Low257 Ų257149 Ų14997%0.9775%0.75SS**  trans-67.972.1-178.6-73-176.9171.8-175-2.3111.3R352 S356R352-R354 PolarHBondContact O-N 3.1Å; R354-S356 PolarHBondContact O-N 3.26Å
355K54.1Low57.3Low181 Ų181142.7 Ų142.779%0.78772%0.72SS**  trans-63.4103167.6-68.3-176.6179.4-178.30107.5G353 W357G353-K355 PolarHBondContact O-N 2.87Å; K355-W357 PolarHBondContact O-N 3.3Å
356S44.3Very low59.4Low98 Ų98142.8 Ų142.869%0.68571%0.71SS**  trans-61.5104.9179.8-175.20000109.7R354 T358R354-S356 PolarHBondContact O-N 3.26Å; S356-T358 PolarHBondContact O-N 3.31Å
357W42.4Very low61.8Low214 Ų214139.7 Ų139.781%0.81168%0.676SS**  trans-77.861.5-178.8-101.190.3000111K355 R359K355-W357 PolarHBondContact O-N 3.3Å; W357-R359 PolarHBondContact O-N 2.8Å
358T58.9Low64.5Low108 Ų108142.2 Ų142.266%0.66368%0.677SS**  trans-67.982.6163.249.20000108.4S356 K360S356-T358 PolarHBondContact O-N 3.31Å; T358-K360 VanDerWaalsContact C-N 3.29Å; T358-K360 PolarHBondContact O-N 3.26Å
359R67.7Low66.4Low209 Ų209140.6 Ų140.679%0.78966%0.66SS**  trans-62.691.7177.5-160.4-170.1-63.5176.70.8107.9W357 R361W357-R359 PolarHBondContact O-N 2.8Å; R359-R361 PolarHBondContact O-N 3.03Å
360K66.6Low68.5Low198 Ų198136.7 Ų136.786%0.86165%0.653SS**  trans-56.8101.9-178.6-69.4-176.6-179.3179.30108.3T358 A362T358-K360 VanDerWaalsContact C-N 3.29Å; T358-K360 PolarHBondContact O-N 3.26Å; K360-A362 PolarHBondContact O-N 3.37Å
361R73Confident70.3Confident213 Ų213133.4 Ų133.480%0.80466%0.663SS**  trans-61.9134.6174.2-61.9-171.6-175.1-158.42107.7R359 T377R359-R361 PolarHBondContact O-N 3.03Å; R361-T377 VanDerWaalsContact O-CG2 3.32Å; R361-T377 WeakPolarHBondContact O-CG2 3.33Å
362A81.8Confident72.5Confident72 Ų72124.3 Ų124.360%0.59563%0.626SS**  trans-59.1148.5175.800000110.5K360 T364K360-A362 PolarHBondContact O-N 3.37Å; A362-T364 HydrophobicContact CB-CG2 4.38Å; A362-T364 PolarHBondContact O-N 3.48Å; A362-T364 VanDerWaalsContact O-N 3.15Å
363A82.5Confident74.5Confident47 Ų47116.4 Ų116.439%0.38862%0.616SS.*  trans-81.490.7174.600000109.2Y376 T377A363-Y376 CarbonylContact C-O 3.53Å; A363-Y376 WeakPolarHBondContact CA-O 3.49Å; A363-T377 HydrophobicContact CB-CG2 4.17Å
364T86.3Confident76.7Confident95 Ų95118.5 Ų118.558%0.58361%0.609SS**  trans-87.8-8.5-173.549.20000114.6A362 Y376A362-T364 HydrophobicContact CB-CG2 4.38Å; A362-T364 PolarHBondContact O-N 3.48Å; A362-T364 VanDerWaalsContact O-N 3.15Å; T364-Y376 PolarHBondContact N-O 3.4Å; T364-Y376 VanDerWaalsContact N-O 3.16Å
365H90.4Very high79Confident59 Ų59110.3 Ų110.327%0.27359%0.588SS.*EExtended strand (participates in β ladder)trans-114.999.2-175.4-56.6-74.2000110.4T375 Y376 S379 L382H365-T375 CarbonylContact O-C 3.17Å; H365-T375 WeakPolarHBondContact O-CA 3.36Å; H365-Y376 WeakPolarHBondContact CB-O 3.2Å; H365-Y376 PolarHBondContact N-O 3.16Å; H365-Y376 PolarHBondContact O-N 3.05Å; H365-S379 PolarHBondContact CD2-N 2.9Å; H365-S379 VanDerWaalsContact CD2-N 3.25Å; H365-S379 PolarHBondContact NE2-N 3.16Å; H365-L382 HydrophobicContact CB-CB 4.11Å; H365-L382 HydrophobicContact CB-CD2 3.88Å
366N91.9Very high80.8Confident86 Ų86104.1 Ų104.146%0.4656%0.56SS.*EExtended strand (participates in β ladder)trans-80.2150.1176.255.6-44.8000112.3K374 T375 L382N366-K374 CarbonylContact C-O 3.57Å; N366-T375 HydrophobicContact CB-CG2 4.19Å; N366-L382 WeakPolarHBondContact O-CD1 3.44Å; N366-L382 WeakPolarHBondContact O-CD2 3.48Å
367C93.3Very high83.1Confident8 Ų8102.7 Ų102.75%0.05455%0.547CS..  trans-86.6117.3165.6-177.10000109.5F369 C372 K374 L382 H385 H389C367-F369 VanDerWaalsContact C-N 3.27Å; C367-F369 PolarHBondContact O-N 3.33Å; C367-C372 HydrophobicContact CB-CB 4.4Å; C367-K374 HydrophobicContact CB-CB 4.43Å; C367-K374 WeakPolarHBondContact CB-O 3.33Å; C367-K374 PolarHBondContact N-O 2.93Å; C367-L382 HydrophobicContact CB-CD1 3.98Å; C367-H385 PolarHBondContact SG-NE2 3.43Å; C367-H385 VanDerWaalsContact SG-NE2 3.37Å; C367-H389 PolarHBondContact SG-NE2 2.95Å
368E89.6Confident85.4Confident165 Ų16597.9 Ų97.977%0.77153%0.532SS*.  trans-83.1-2.3-179.4-62.3174.4167.900113
369F90.5Very high86.8Confident92 Ų9296.3 Ų96.340%0.40453%0.526SS..SBendtrans-65.9130.6178.5-167.6-90.6000111.1C367 G371 C372 M386 H389C367-F369 VanDerWaalsContact C-N 3.27Å; C367-F369 PolarHBondContact O-N 3.33Å; F369-G371 PolarHBondContact O-N 2.88Å; F369-C372 HydrophobicContact CB-CB 4.17Å; F369-C372 HydrophobicContact CD1-CB 4.49Å; F369-C372 WeakPolarHBondContact O-CB 3.41Å; F369-C372 PolarHBondContact O-N 3.07Å; F369-M386 HydrophobicContact CB-CE 4.44Å; F369-H389 VanDerWaalsContact CB-CD2 3.48Å; F369-H389 WeakPolarHBondContact CB-CD2 3.45Å; F369-H389 HydrophobicContact CD1-CB 4.41Å; F369-H389 AromaticContact CD1-CE1 3.84Å; F369-H389 AromaticContact CD1-CG 3.83Å; F369-H389 AromaticContact CD1-ND1 3.51Å; F369-H389 HydrophobicContact CD2-CB 3.65Å; F369-H389 AromaticContact CD2-CG 3.79Å; F369-H389 AromaticContact CE1-ND1 3.84Å; F369-H389 HydrophobicContact CE2-CB 3.79Å; F369-H389 HydrophobicContact CG-CB 3.98Å; F369-H389 AromaticContact CG-CD2 3.65Å; F369-H389 AromaticContact CG-CG 3.55Å; F369-H389 AromaticContact CG-ND1 3.76Å; F369-H389 HydrophobicContact CZ-CB 4.24Å
370P90.9Very high87.9Confident106 Ų10689.6 Ų89.669%0.68851%0.511SS*.THydrogen-bonded Turntrans-50.1129.1-177.4-30.736.4000113.4C372P370-C372 PolarHBondContact O-N 3.11Å
371G89.1Confident89Confident92 Ų9284.3 Ų84.395%0.94849%0.489SS*.THydrogen-bonded Turntrans72.33179.800000116F369F369-G371 PolarHBondContact O-N 2.88Å
372C90.7Very high89.9Confident21 Ų2175.6 Ų75.614%0.14246%0.458CS..THydrogen-bonded Turntrans-85.5-49.9-177.4-1640000114.6C367 F369 P370 K374 H385 H389C367-C372 HydrophobicContact CB-CB 4.4Å; F369-C372 HydrophobicContact CB-CB 4.17Å; F369-C372 HydrophobicContact CD1-CB 4.49Å; F369-C372 WeakPolarHBondContact O-CB 3.41Å; F369-C372 PolarHBondContact O-N 3.07Å; P370-C372 PolarHBondContact O-N 3.11Å; C372-K374 PolarHBondContact O-N 3.41Å; C372-H385 PolarHBondContact SG-NE2 3.29Å; C372-H389 WeakPolarHBondContact CB-CE1 3.19Å; C372-H389 WeakPolarHBondContact CB-NE2 3.49Å; C372-H389 PolarHBondContact SG-CE1 3.08Å; C372-H389 PolarHBondContact SG-NE2 3.43Å
373G89Confident90.2Very high66 Ų6679.2 Ų79.268%0.6846%0.46SS*.  trans63.9-0.1173.900000117.6
374K91.8Very high90.4Very high102 Ų10278 Ų7844%0.44345%0.451SS..  trans-70.8142.3-176.4-65.7173.4-166.81640111.7N366 C367 C372 Y376N366-K374 CarbonylContact C-O 3.57Å; C367-K374 HydrophobicContact CB-CB 4.43Å; C367-K374 WeakPolarHBondContact CB-O 3.33Å; C367-K374 PolarHBondContact N-O 2.93Å; C372-K374 PolarHBondContact O-N 3.41Å; K374-Y376 HydrophobicContact CB-CE2 3.71Å
375T93.2Very high90.6Very high84 Ų8474.1 Ų74.152%0.51543%0.426SS..EExtended strand (participates in β ladder)trans-125.6149.4179.360.20000112.1H365 N366H365-T375 CarbonylContact O-C 3.17Å; H365-T375 WeakPolarHBondContact O-CA 3.36Å; N366-T375 HydrophobicContact CB-CG2 4.19Å
376Y92.4Very high90.6Very high51 Ų5174.2 Ų74.220%0.243%0.427CS..EExtended strand (participates in β ladder)trans-135.7146.4-169.7-62.7-86.7000112A363 T364 H365 K374 K378 H381 L382 H385A363-Y376 CarbonylContact C-O 3.53Å; A363-Y376 WeakPolarHBondContact CA-O 3.49Å; T364-Y376 PolarHBondContact N-O 3.4Å; T364-Y376 VanDerWaalsContact N-O 3.16Å; H365-Y376 WeakPolarHBondContact CB-O 3.2Å; H365-Y376 PolarHBondContact N-O 3.16Å; H365-Y376 PolarHBondContact O-N 3.05Å; K374-Y376 HydrophobicContact CB-CE2 3.71Å; Y376-K378 VanDerWaalsContact C-N 3.34Å; Y376-H381 HydrophobicContact CD1-CB 3.63Å; Y376-H381 HydrophobicContact CE1-CB 4.47Å; Y376-H381 HydrophobicContact CG-CB 4.16Å; Y376-L382 HydrophobicContact CD2-CB 4.1Å; Y376-L382 HydrophobicContact CD2-CD1 4.06Å; Y376-L382 HydrophobicContact CE2-CD1 4.35Å; Y376-L382 HydrophobicContact CG-CB 4.36Å; Y376-H385 HydrophobicContact CE1-CB 4.3Å; Y376-H385 HydrophobicContact CE2-CB 4.04Å; Y376-H385 AromaticContact CE2-CD2 3.37Å; Y376-H385 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H385 AromaticContact CE2-CG 3.91Å; Y376-H385 AromaticContact CZ-CD2 3.59Å; Y376-H385 AromaticContact CZ-CG 3.69Å; Y376-H385 PolarHBondContact OH-CD2 3.01Å
377T92.5Very high90.5Very high68 Ų6871.9 Ų71.942%0.41741%0.412SS..SBendtrans-87.90.4177.8550000113.9R361 A363R361-T377 VanDerWaalsContact O-CG2 3.32Å; R361-T377 WeakPolarHBondContact O-CG2 3.33Å; A363-T377 HydrophobicContact CB-CG2 4.17Å
378K90.1Very high90.2Very high113 Ų11375.9 Ų75.949%0.49144%0.436SS..SBendtrans-145.1137.7174.9-60.7-171.5-173.1176.40110.2Y376 S380 H381 L382Y376-K378 VanDerWaalsContact C-N 3.34Å; K378-S380 PolarHBondContact O-N 3.01Å; K378-H381 HydrophobicContact CB-CB 4.43Å; K378-H381 PolarHBondContact O-N 3.02Å; K378-H381 VanDerWaalsContact O-N 3.11Å; K378-L382 PolarHBondContact O-N 3.33Å
379S90.4Very high90.2Very high76 Ų7670.8 Ų70.853%0.53141%0.412SS..Hα-helixtrans-57.7-35.4172.653.80000112.8H365 H381 L382 K383H365-S379 PolarHBondContact CD2-N 2.9Å; H365-S379 VanDerWaalsContact CD2-N 3.25Å; H365-S379 PolarHBondContact NE2-N 3.16Å; S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 2.95Å; S379-L382 PolarHBondContact O-N 3.43Å; S379-K383 PolarHBondContact O-N 3.42Å
380S88.8Confident90Very high68 Ų6870.4 Ų70.448%0.47642%0.417SS..Hα-helixtrans-64.2-34.2175.958.10000113.4K378 A384K378-S380 PolarHBondContact O-N 3.01Å; S380-A384 WeakPolarHBondContact O-CB 3.37Å; S380-A384 PolarHBondContact O-N 2.78Å
381H90.3Very high89.8Confident86 Ų8667.8 Ų67.840%0.39841%0.41SS..Hα-helixtrans-71.6-37.6174.6-64.1-176.3000111.2Y376 K378 S379 H385Y376-H381 HydrophobicContact CD1-CB 3.63Å; Y376-H381 HydrophobicContact CE1-CB 4.47Å; Y376-H381 HydrophobicContact CG-CB 4.16Å; K378-H381 HydrophobicContact CB-CB 4.43Å; K378-H381 PolarHBondContact O-N 3.02Å; K378-H381 VanDerWaalsContact O-N 3.11Å; S379-H381 VanDerWaalsContact C-N 3.33Å; S379-H381 PolarHBondContact O-N 2.95Å; H381-H385 WeakPolarHBondContact O-CB 3.14Å; H381-H385 PolarHBondContact O-N 3.27Å
382L91.8Very high89.8Confident31 Ų3168 Ų6816%0.16239%0.386CS..Hα-helixtrans-63-48.8171.4174.161.6000111.2H365 N366 C367 Y376 K378 S379 A384 H385 M386H365-L382 HydrophobicContact CB-CB 4.11Å; H365-L382 HydrophobicContact CB-CD2 3.88Å; N366-L382 WeakPolarHBondContact O-CD1 3.44Å; N366-L382 WeakPolarHBondContact O-CD2 3.48Å; C367-L382 HydrophobicContact CB-CD1 3.98Å; Y376-L382 HydrophobicContact CD2-CB 4.1Å; Y376-L382 HydrophobicContact CD2-CD1 4.06Å; Y376-L382 HydrophobicContact CE2-CD1 4.35Å; Y376-L382 HydrophobicContact CG-CB 4.36Å; K378-L382 PolarHBondContact O-N 3.33Å; S379-L382 PolarHBondContact O-N 3.43Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 2.98Å; L382-H385 CarbonylContact O-C 3.56Å; L382-H385 WeakPolarHBondContact O-CA 3.49Å; L382-H385 WeakPolarHBondContact O-CB 3.4Å; L382-H385 PolarHBondContact O-N 3.36Å; L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.08Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 WeakPolarHBondContact O-CG 3.4Å; L382-M386 PolarHBondContact O-N 3.23Å
383K88.2Confident89.8Confident147 Ų14772.7 Ų72.764%0.63940%0.404SS*.Hα-helixtrans-59.8-40.8178.1-172.2171.6-177.2175.10112.1S379 H385 M386S379-K383 PolarHBondContact O-N 3.42Å; K383-H385 VanDerWaalsContact C-N 3.31Å; K383-H385 PolarHBondContact O-N 3.3Å; K383-M386 PolarHBondContact O-N 2.87Å
384A87.9Confident89.8Confident23 Ų2371.4 Ų71.419%0.1938%0.383CS..Hα-helixtrans-66.2-32173.200000112.8S380 L382 R408S380-A384 WeakPolarHBondContact O-CB 3.37Å; S380-A384 PolarHBondContact O-N 2.78Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-A384 PolarHBondContact O-N 2.98Å; A384-R408 HydrophobicContact CB-CG 4.34Å
385H89.4Confident89.9Confident12 Ų1269.3 Ų69.36%0.05637%0.373CS..Hα-helixtrans-73.5-39.3173.6169.136.9000113C367 C372 Y376 H381 L382 K383 R387 T388 H389C367-H385 PolarHBondContact SG-NE2 3.43Å; C367-H385 VanDerWaalsContact SG-NE2 3.37Å; C372-H385 PolarHBondContact SG-NE2 3.29Å; Y376-H385 HydrophobicContact CE1-CB 4.3Å; Y376-H385 HydrophobicContact CE2-CB 4.04Å; Y376-H385 AromaticContact CE2-CD2 3.37Å; Y376-H385 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H385 AromaticContact CE2-CG 3.91Å; Y376-H385 AromaticContact CZ-CD2 3.59Å; Y376-H385 AromaticContact CZ-CG 3.69Å; Y376-H385 PolarHBondContact OH-CD2 3.01Å; H381-H385 WeakPolarHBondContact O-CB 3.14Å; H381-H385 PolarHBondContact O-N 3.27Å; L382-H385 CarbonylContact O-C 3.56Å; L382-H385 WeakPolarHBondContact O-CA 3.49Å; L382-H385 WeakPolarHBondContact O-CB 3.4Å; L382-H385 PolarHBondContact O-N 3.36Å; K383-H385 VanDerWaalsContact C-N 3.31Å; K383-H385 PolarHBondContact O-N 3.3Å; H385-R387 PolarHBondContact O-N 3.44Å; H385-T388 PolarHBondContact CE1-OG1 2.82Å; H385-T388 VanDerWaalsContact CE1-OG1 3.23Å; H385-T388 PolarHBondContact ND1-OG1 3.49Å; H385-T388 WeakPolarHBondContact O-CB 3.39Å; H385-T388 PolarHBondContact O-N 3.11Å; H385-T388 PolarHBondContact O-OG1 3.04Å; H385-H389 AromaticContact CD2-NE2 3.68Å; H385-H389 AromaticContact CE1-CD2 3.84Å; H385-H389 AromaticContact CE1-NE2 2.88Å; H385-H389 PolarHBondContact CE1-NE2 2.78Å; H385-H389 AromaticContact NE2-CD2 3.99Å; H385-H389 AromaticContact NE2-NE2 2.56Å; H385-H389 PolarHBondContact NE2-NE2 3.26Å
386M89.9Confident89.9Confident61 Ų6169.3 Ų69.330%0.337%0.367SS..Hα-helixtrans-55.9-28.7-178.9-69.5-54.6-65.400112.9F369 L382 K383 T388 H389 T390F369-M386 HydrophobicContact CB-CE 4.44Å; L382-M386 HydrophobicContact CD1-CG 4.18Å; L382-M386 HydrophobicContact CD1-SD 4.08Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 WeakPolarHBondContact O-CG 3.4Å; L382-M386 PolarHBondContact O-N 3.23Å; K383-M386 PolarHBondContact O-N 2.87Å; M386-T388 PolarHBondContact O-N 2.96Å; M386-H389 WeakPolarHBondContact O-CA 3.42Å; M386-H389 WeakPolarHBondContact O-CB 3.42Å; M386-H389 PolarHBondContact O-N 2.9Å; M386-T390 PolarHBondContact O-N 2.97Å; M386-T390 VanDerWaalsContact O-N 3.08Å
387R90.3Very high90.1Very high38 Ų3867.5 Ų67.514%0.14336%0.362CS..Hα-helixtrans-60.4-23171.7-61.9-174.8178.1140.4-0.5114.8H385 H389 G391 E392 A407H385-R387 PolarHBondContact O-N 3.44Å; R387-H389 PolarHBondContact O-N 2.73Å; R387-G391 CarbonylContact O-C 3.6Å; R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.31Å; R387-E392 HydrophobicContact CB-CB 4.08Å; R387-E392 HydrophobicContact CG-CB 3.86Å; R387-E392 IonicContact NE-OE2 3.82Å; R387-E392 PolarHBondContact O-N 3.29Å; R387-A407 HydrophobicContact CB-CB 4.1Å; R387-A407 VanDerWaalsContact CD-O 3.29Å; R387-A407 WeakPolarHBondContact CD-O 3.46Å; R387-A407 PolarHBondContact NH1-O 2.98Å
388T88.1Confident90.1Very high92 Ų9269.8 Ų69.856%0.56437%0.371SS*.Hα-helixtrans-74.1-12.8172.373.10000112.8H385 M386H385-T388 PolarHBondContact CE1-OG1 2.82Å; H385-T388 VanDerWaalsContact CE1-OG1 3.23Å; H385-T388 PolarHBondContact ND1-OG1 3.49Å; H385-T388 WeakPolarHBondContact O-CB 3.39Å; H385-T388 PolarHBondContact O-N 3.11Å; H385-T388 PolarHBondContact O-OG1 3.04Å; M386-T388 PolarHBondContact O-N 2.96Å
389H88.3Confident90.3Very high58 Ų5869.7 Ų69.727%0.26937%0.368SS..Hα-helixtrans-101.2-41.9174.6-59.4-54.3000112C367 F369 C372 H385 M386 R387 G391C367-H389 PolarHBondContact SG-NE2 2.95Å; F369-H389 VanDerWaalsContact CB-CD2 3.48Å; F369-H389 WeakPolarHBondContact CB-CD2 3.45Å; F369-H389 HydrophobicContact CD1-CB 4.41Å; F369-H389 AromaticContact CD1-CE1 3.84Å; F369-H389 AromaticContact CD1-CG 3.83Å; F369-H389 AromaticContact CD1-ND1 3.51Å; F369-H389 HydrophobicContact CD2-CB 3.65Å; F369-H389 AromaticContact CD2-CG 3.79Å; F369-H389 AromaticContact CE1-ND1 3.84Å; F369-H389 HydrophobicContact CE2-CB 3.79Å; F369-H389 HydrophobicContact CG-CB 3.98Å; F369-H389 AromaticContact CG-CD2 3.65Å; F369-H389 AromaticContact CG-CG 3.55Å; F369-H389 AromaticContact CG-ND1 3.76Å; F369-H389 HydrophobicContact CZ-CB 4.24Å; C372-H389 WeakPolarHBondContact CB-CE1 3.19Å; C372-H389 WeakPolarHBondContact CB-NE2 3.49Å; C372-H389 PolarHBondContact SG-CE1 3.08Å; C372-H389 PolarHBondContact SG-NE2 3.43Å; H385-H389 AromaticContact CD2-NE2 3.68Å; H385-H389 AromaticContact CE1-CD2 3.84Å; H385-H389 AromaticContact CE1-NE2 2.88Å; H385-H389 PolarHBondContact CE1-NE2 2.78Å; H385-H389 AromaticContact NE2-CD2 3.99Å; H385-H389 AromaticContact NE2-NE2 2.56Å; H385-H389 PolarHBondContact NE2-NE2 3.26Å; M386-H389 WeakPolarHBondContact O-CA 3.42Å; M386-H389 WeakPolarHBondContact O-CB 3.42Å; M386-H389 PolarHBondContact O-N 2.9Å; R387-H389 PolarHBondContact O-N 2.73Å; H389-G391 VanDerWaalsContact C-N 3.3Å
390T86.4Confident90.4Very high83 Ų8374.9 Ų74.951%0.50938%0.384SS..Hα-helixtrans-78-14.1176.460.80000113.5M386 E392M386-T390 PolarHBondContact O-N 2.97Å; M386-T390 VanDerWaalsContact O-N 3.08Å; T390-E392 WeakPolarHBondContact CB-OE1 3.49Å; T390-E392 PolarHBondContact O-N 2.85Å; T390-E392 VanDerWaalsContact OG1-CD 3.25Å; T390-E392 WeakPolarHBondContact OG1-CG 3.22Å; T390-E392 PolarHBondContact OG1-OE1 3.14Å
391G87.3Confident90.5Very high51 Ų5176 Ų7653%0.52641%0.406SS..  trans74.41.7-175.300000114.2R387 H389 K393R387-G391 CarbonylContact O-C 3.6Å; R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.31Å; H389-G391 VanDerWaalsContact C-N 3.3Å; G391-K393 PolarHBondContact O-N 3.44Å
392E89.3Confident90.6Very high97 Ų9772.5 Ų72.545%0.45339%0.392SS..  trans-53.8127.9179.7-84.4166.8-117.100112.6R387 T390R387-E392 HydrophobicContact CB-CB 4.08Å; R387-E392 HydrophobicContact CG-CB 3.86Å; R387-E392 IonicContact NE-OE2 3.82Å; R387-E392 PolarHBondContact O-N 3.29Å; T390-E392 WeakPolarHBondContact CB-OE1 3.49Å; T390-E392 PolarHBondContact O-N 2.85Å; T390-E392 VanDerWaalsContact OG1-CD 3.25Å; T390-E392 WeakPolarHBondContact OG1-CG 3.22Å; T390-E392 PolarHBondContact OG1-OE1 3.14Å
393K90.8Very high90.6Very high120 Ų12074.5 Ų74.552%0.52242%0.419SS..  trans-13073.5175.9-72.1168.7167.8-166.30111.1G391 Y395 H396 K405 F406G391-K393 PolarHBondContact O-N 3.44Å; K393-Y395 PolarHBondContact O-N 3.4Å; K393-H396 PolarHBondContact O-CE1 3.33Å; K393-H396 PolarHBondContact O-ND1 3.29Å; K393-K405 HydrophobicContact CB-CB 3.73Å; K393-K405 HydrophobicContact CD-CB 4.13Å; K393-K405 WeakPolarHBondContact CD-O 3.44Å; K393-F406 CarbonylContact C-O 3.15Å; K393-F406 WeakPolarHBondContact CA-O 3.24Å
394P89.4Confident90.8Very high38 Ų3875.3 Ų75.325%0.24742%0.419CS..  trans-67.9-18.7-172.4-19.533.7000114.2
395Y93.1Very high91.1Very high58 Ų5879.3 Ų79.323%0.22743%0.431CS..EExtended strand (participates in β ladder)trans-97.9112.7-175.2-54.8-80.2000109.1K393 K405 F406 A407K393-Y395 PolarHBondContact O-N 3.4Å; Y395-K405 CarbonylContact O-C 3.55Å; Y395-K405 WeakPolarHBondContact O-CA 3.38Å; Y395-F406 PolarHBondContact N-O 2.87Å; Y395-F406 PolarHBondContact O-N 2.84Å; Y395-A407 WeakPolarHBondContact CE2-O 3.47Å
396H93.6Very high91.3Very high85 Ų8580 Ų8039%0.39443%0.434SS..EExtended strand (participates in β ladder)trans-102.2148.3-177.3-57.1-18.2000110.5K393 L412K393-H396 PolarHBondContact O-CE1 3.33Å; K393-H396 PolarHBondContact O-ND1 3.29Å; H396-L412 WeakPolarHBondContact O-CD1 3.44Å; H396-L412 VanDerWaalsContact O-CD2 3.24Å; H396-L412 WeakPolarHBondContact O-CD2 3.45Å
397C95.9Very high91.3Very high13 Ų1377.8 Ų77.89%0.08843%0.426CS..  trans-78.5128.6165.7-163.50000109.5W399 C402 W404 L412 H415 H419C397-W399 VanDerWaalsContact C-N 3.34Å; C397-C402 HydrophobicContact CB-CB 4.26Å; C397-W404 HydrophobicContact CB-CB 4.48Å; C397-W404 PolarHBondContact N-O 3.13Å; C397-L412 HydrophobicContact CB-CD1 4.18Å; C397-H415 PolarHBondContact SG-NE2 3.3Å; C397-H415 VanDerWaalsContact SG-NE2 3.42Å; C397-H419 PolarHBondContact SG-NE2 3.2Å
398N93.5Very high91.3Very high115 Ų11581.2 Ų81.262%0.61544%0.439SS*.  trans-96.313.2177.8-59.3-9.4000112
399W93.4Very high91.4Very high112 Ų11279.8 Ų79.842%0.42443%0.433SS..SBendtrans-82.3137.2177-166.7-81.6000110C397 G401 C402 F416 H419 T420C397-W399 VanDerWaalsContact C-N 3.34Å; W399-G401 PolarHBondContact O-N 2.59Å; W399-C402 HydrophobicContact CB-CB 3.96Å; W399-C402 WeakPolarHBondContact O-CA 3.43Å; W399-C402 WeakPolarHBondContact O-CB 3.4Å; W399-C402 PolarHBondContact O-N 3.11Å; W399-F416 HydrophobicContact CB-CE2 4.48Å; W399-F416 AromaticContact CE3-CE2 3.85Å; W399-F416 HydrophobicContact CE3-CE2 3.85Å; W399-F416 AromaticContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CZ3-CZ 4.21Å; W399-H419 AromaticContact CD1-ND1 3.98Å; W399-H419 HydrophobicContact CD2-CB 3.47Å; W399-H419 VanDerWaalsContact CD2-CB 3.47Å; W399-H419 AromaticContact CD2-CD2 3.98Å; W399-H419 AromaticContact CD2-CG 3.69Å; W399-H419 HydrophobicContact CE3-CB 3.5Å; W399-H419 VanDerWaalsContact CE3-CB 3.5Å; W399-H419 HydrophobicContact CG-CB 4.04Å; W399-H419 AromaticContact CG-CD2 3.67Å; W399-H419 AromaticContact CG-CG 3.68Å; W399-H419 HydrophobicContact CH2-CB 3.96Å; W399-H419 HydrophobicContact CZ2-CB 3.94Å; W399-H419 HydrophobicContact CZ3-CB 3.75Å; W399-T420 HydrophobicContact CZ3-CG2 3.98Å
400E92.9Very high91.5Very high184 Ų18480.5 Ų80.586%0.8644%0.439SS*.THydrogen-bonded Turntrans-60.8137.9-174.7-61.4-167.4149.800112.2C402E400-C402 PolarHBondContact O-N 3.23Å; E400-C402 VanDerWaalsContact O-N 3.14Å
401G91.2Very high91.8Very high92 Ų9279 Ų7995%0.94843%0.426SS*.THydrogen-bonded Turntrans69.9-6-170.900000115.6W399 G403W399-G401 PolarHBondContact O-N 2.59Å; G401-G403 PolarHBondContact O-N 3.44Å
402C91.8Very high92.2Very high13 Ų1377.9 Ų77.99%0.08841%0.408CS..  trans-95.884.9-174.1-159.50000113.8C397 W399 E400 W404 H415 H419C397-C402 HydrophobicContact CB-CB 4.26Å; W399-C402 HydrophobicContact CB-CB 3.96Å; W399-C402 WeakPolarHBondContact O-CA 3.43Å; W399-C402 WeakPolarHBondContact O-CB 3.4Å; W399-C402 PolarHBondContact O-N 3.11Å; E400-C402 PolarHBondContact O-N 3.23Å; E400-C402 VanDerWaalsContact O-N 3.14Å; C402-W404 PolarHBondContact O-N 3.07Å; C402-W404 VanDerWaalsContact SG-CD1 3.57Å; C402-H415 PolarHBondContact SG-NE2 3.08Å; C402-H419 VanDerWaalsContact CB-NE2 3.28Å; C402-H419 WeakPolarHBondContact CB-NE2 3.29Å; C402-H419 PolarHBondContact SG-CE1 3.43Å; C402-H419 PolarHBondContact SG-NE2 3.03Å
403G91.1Very high92.4Very high72 Ų7277 Ų7774%0.74241%0.409SS*.  trans-68.117176.900000117G401G401-G403 PolarHBondContact O-N 3.44Å
404W94.4Very high92.5Very high165 Ų16576.4 Ų76.463%0.62540%0.403SS*.  trans-78.7136.9-173.3-78.974.2000113.1C397 C402 F406 H415C397-W404 HydrophobicContact CB-CB 4.48Å; C397-W404 PolarHBondContact N-O 3.13Å; C402-W404 PolarHBondContact O-N 3.07Å; C402-W404 VanDerWaalsContact SG-CD1 3.57Å; W404-F406 HydrophobicContact CB-CE2 3.83Å; W404-F406 HydrophobicContact CB-CZ 3.82Å; W404-F406 HydrophobicContact CE3-CE1 4.2Å; W404-F406 AromaticContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CG-CZ 4.49Å; W404-H415 AromaticContact CG-CE1 3.8Å
405K93.9Very high92.8Very high106 Ų10675.4 Ų75.446%0.46140%0.396SS..EExtended strand (participates in β ladder)trans-132.1140.8-177.4-54.3-174173.8-165.80111.4K393 Y395K393-K405 HydrophobicContact CB-CB 3.73Å; K393-K405 HydrophobicContact CD-CB 4.13Å; K393-K405 WeakPolarHBondContact CD-O 3.44Å; Y395-K405 CarbonylContact O-C 3.55Å; Y395-K405 WeakPolarHBondContact O-CA 3.38Å
406F92.8Very high92.8Very high26 Ų2676.5 Ų76.511%0.11440%0.402CS..EExtended strand (participates in β ladder)trans-129.8153.7-169.3-57.2-80.9000112.7K393 Y395 W404 E411 L412 H415K393-F406 CarbonylContact C-O 3.15Å; K393-F406 WeakPolarHBondContact CA-O 3.24Å; Y395-F406 PolarHBondContact N-O 2.87Å; Y395-F406 PolarHBondContact O-N 2.84Å; W404-F406 HydrophobicContact CB-CE2 3.83Å; W404-F406 HydrophobicContact CB-CZ 3.82Å; W404-F406 HydrophobicContact CE3-CE1 4.2Å; W404-F406 AromaticContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CE3-CZ 3.98Å; W404-F406 HydrophobicContact CG-CZ 4.49Å; F406-E411 HydrophobicContact CB-CB 3.92Å; F406-E411 HydrophobicContact CD1-CB 3.84Å; F406-E411 HydrophobicContact CG-CB 4.09Å; F406-L412 HydrophobicContact CB-CB 4.45Å; F406-L412 HydrophobicContact CD2-CB 3.93Å; F406-L412 HydrophobicContact CD2-CD1 3.99Å; F406-L412 HydrophobicContact CE2-CD1 4.15Å; F406-L412 HydrophobicContact CG-CB 4.38Å; F406-H415 HydrophobicContact CE1-CB 4.08Å; F406-H415 HydrophobicContact CE2-CB 3.84Å; F406-H415 AromaticContact CE2-CD2 3.49Å; F406-H415 VanDerWaalsContact CE2-CD2 3.49Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.38Å; F406-H415 AromaticContact CE2-CG 3.61Å; F406-H415 HydrophobicContact CZ-CB 3.47Å; F406-H415 VanDerWaalsContact CZ-CB 3.47Å; F406-H415 AromaticContact CZ-CD2 3.65Å; F406-H415 AromaticContact CZ-CG 3.29Å; F406-H415 AromaticContact CZ-ND1 3.58Å
407A90.6Very high92.8Very high16 Ų1675.5 Ų75.513%0.13240%0.395CS..SBendtrans-88-15.9-178.500000112.7R387 Y395 E411R387-A407 HydrophobicContact CB-CB 4.1Å; R387-A407 VanDerWaalsContact CD-O 3.29Å; R387-A407 WeakPolarHBondContact CD-O 3.46Å; R387-A407 PolarHBondContact NH1-O 2.98Å; Y395-A407 WeakPolarHBondContact CE2-O 3.47Å; A407-E411 PolarHBondContact N-OE2 3.32Å; A407-E411 VanDerWaalsContact N-OE2 3.12Å
408R89.1Confident92.6Very high109 Ų10983 Ų8341%0.41143%0.426SS..SBendtrans-134.6153.2179-58.8161.249.8149.5-6.2111.9A384 D410 E411 L412A384-R408 HydrophobicContact CB-CG 4.34Å; R408-D410 VanDerWaalsContact CB-OD1 3.22Å; R408-D410 WeakPolarHBondContact CB-OD1 3.47Å; R408-D410 IonicContact CZ-OD1 3.35Å; R408-D410 IonicContact CZ-OD2 3.57Å; R408-D410 IonicContact NE-OD1 2.78Å; R408-D410 PolarHBondContact NE-OD1 3.16Å; R408-D410 IonicContact NE-OD2 3.68Å; R408-D410 VanDerWaalsContact NH2-CG 3.26Å; R408-D410 IonicContact NH2-OD1 3.08Å; R408-D410 PolarHBondContact NH2-OD1 3.15Å; R408-D410 VanDerWaalsContact NH2-OD1 3.08Å; R408-D410 IonicContact NH2-OD2 2.73Å; R408-D410 PolarHBondContact NH2-OD2 3.4Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 HydrophobicContact CB-CG 3.97Å; R408-E411 PolarHBondContact N-OE2 3.12Å; R408-E411 VanDerWaalsContact N-OE2 3.1Å; R408-E411 WeakPolarHBondContact O-CB 3.27Å; R408-E411 PolarHBondContact O-N 3.38Å; R408-L412 PolarHBondContact O-N 2.95Å
409S91.4Very high92.6Very high63 Ų6380.8 Ų80.844%0.44141%0.411SS..Hα-helixtrans-66.3-40176.647.30000112.9E411 L412 T413S409-E411 PolarHBondContact O-N 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.41Å; S409-L412 PolarHBondContact O-N 3.24Å; S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.39Å
410D90.1Very high92.6Very high73 Ų7378.7 Ų78.739%0.3941%0.411SS..Hα-helixtrans-67.3-24.6179.568-58.5000113.3R408 R414R408-D410 VanDerWaalsContact CB-OD1 3.22Å; R408-D410 WeakPolarHBondContact CB-OD1 3.47Å; R408-D410 IonicContact CZ-OD1 3.35Å; R408-D410 IonicContact CZ-OD2 3.57Å; R408-D410 IonicContact NE-OD1 2.78Å; R408-D410 PolarHBondContact NE-OD1 3.16Å; R408-D410 IonicContact NE-OD2 3.68Å; R408-D410 VanDerWaalsContact NH2-CG 3.26Å; R408-D410 IonicContact NH2-OD1 3.08Å; R408-D410 PolarHBondContact NH2-OD1 3.15Å; R408-D410 VanDerWaalsContact NH2-OD1 3.08Å; R408-D410 IonicContact NH2-OD2 2.73Å; R408-D410 PolarHBondContact NH2-OD2 3.4Å; D410-R414 WeakPolarHBondContact O-CB 3.36Å; D410-R414 PolarHBondContact O-N 2.82Å; D410-R414 VanDerWaalsContact O-N 3.11Å
411E93.3Very high92.5Very high50 Ų5072.2 Ų72.223%0.23439%0.393CS..Hα-helixtrans-69-43.8170-64.6172.8157.800111.4F406 A407 R408 S409 H415F406-E411 HydrophobicContact CB-CB 3.92Å; F406-E411 HydrophobicContact CD1-CB 3.84Å; F406-E411 HydrophobicContact CG-CB 4.09Å; A407-E411 PolarHBondContact N-OE2 3.32Å; A407-E411 VanDerWaalsContact N-OE2 3.12Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 HydrophobicContact CB-CG 3.97Å; R408-E411 PolarHBondContact N-OE2 3.12Å; R408-E411 VanDerWaalsContact N-OE2 3.1Å; R408-E411 WeakPolarHBondContact O-CB 3.27Å; R408-E411 PolarHBondContact O-N 3.38Å; S409-E411 PolarHBondContact O-N 3.25Å; E411-H415 WeakPolarHBondContact O-CB 3.4Å; E411-H415 PolarHBondContact O-N 3.46Å
412L95Very high92.6Very high29 Ų2971.8 Ų71.815%0.15237%0.366CS..Hα-helixtrans-64-49.8174.9171.460.8000111.3H396 C397 F406 R408 S409 R414 H415 F416H396-L412 WeakPolarHBondContact O-CD1 3.44Å; H396-L412 VanDerWaalsContact O-CD2 3.24Å; H396-L412 WeakPolarHBondContact O-CD2 3.45Å; C397-L412 HydrophobicContact CB-CD1 4.18Å; F406-L412 HydrophobicContact CB-CB 4.45Å; F406-L412 HydrophobicContact CD2-CB 3.93Å; F406-L412 HydrophobicContact CD2-CD1 3.99Å; F406-L412 HydrophobicContact CE2-CD1 4.15Å; F406-L412 HydrophobicContact CG-CB 4.38Å; R408-L412 PolarHBondContact O-N 2.95Å; S409-L412 WeakPolarHBondContact O-CB 3.41Å; S409-L412 PolarHBondContact O-N 3.24Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-H415 CarbonylContact O-C 3.52Å; L412-H415 WeakPolarHBondContact O-CA 3.37Å; L412-H415 WeakPolarHBondContact O-CB 3.2Å; L412-H415 PolarHBondContact O-N 3.08Å; L412-F416 PolarHBondContact O-N 3.37Å
413T93.6Very high92.7Very high77 Ų7777.7 Ų77.747%0.47239%0.387SS..Hα-helixtrans-58.4-42.1177.9-50.10000111.6S409 H415 F416 R417S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.39Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.39Å; T413-F416 PolarHBondContact O-N 3.07Å; T413-R417 PolarHBondContact O-N 2.87Å
414R92.8Very high92.7Very high108 Ų10876.7 Ų76.741%0.40837%0.368SS..Hα-helixtrans-66.3-33.1175.3-179.4-176.463-168.9-5.9112.7D410 L412 R436D410-R414 WeakPolarHBondContact O-CB 3.36Å; D410-R414 PolarHBondContact O-N 2.82Å; D410-R414 VanDerWaalsContact O-N 3.11Å; L412-R414 VanDerWaalsContact C-N 3.3Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-R436 HydrophobicContact CG-CG 4.34Å
415H94.5Very high92.8Very high18 Ų1872 Ų728%0.08335%0.351CS..Hα-helixtrans-71.9-41.6173.7166.182000111.7C397 C402 W404 F406 E411 L412 T413 R417 K418 H419C397-H415 PolarHBondContact SG-NE2 3.3Å; C397-H415 VanDerWaalsContact SG-NE2 3.42Å; C402-H415 PolarHBondContact SG-NE2 3.08Å; W404-H415 AromaticContact CG-CE1 3.8Å; F406-H415 HydrophobicContact CE1-CB 4.08Å; F406-H415 HydrophobicContact CE2-CB 3.84Å; F406-H415 AromaticContact CE2-CD2 3.49Å; F406-H415 VanDerWaalsContact CE2-CD2 3.49Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.38Å; F406-H415 AromaticContact CE2-CG 3.61Å; F406-H415 HydrophobicContact CZ-CB 3.47Å; F406-H415 VanDerWaalsContact CZ-CB 3.47Å; F406-H415 AromaticContact CZ-CD2 3.65Å; F406-H415 AromaticContact CZ-CG 3.29Å; F406-H415 AromaticContact CZ-ND1 3.58Å; E411-H415 WeakPolarHBondContact O-CB 3.4Å; E411-H415 PolarHBondContact O-N 3.46Å; L412-H415 CarbonylContact O-C 3.52Å; L412-H415 WeakPolarHBondContact O-CA 3.37Å; L412-H415 WeakPolarHBondContact O-CB 3.2Å; L412-H415 PolarHBondContact O-N 3.08Å; T413-H415 VanDerWaalsContact C-N 3.33Å; T413-H415 PolarHBondContact O-N 3.39Å; H415-R417 PolarHBondContact O-N 2.81Å; H415-K418 WeakPolarHBondContact O-CB 3.38Å; H415-K418 WeakPolarHBondContact O-CG 3.27Å; H415-K418 PolarHBondContact O-N 2.77Å; H415-H419 AromaticContact CD2-NE2 3.35Å; H415-H419 PolarHBondContact CD2-NE2 3.39Å; H415-H419 VanDerWaalsContact CD2-NE2 3.35Å; H415-H419 AromaticContact CE1-NE2 3.22Å; H415-H419 PolarHBondContact CE1-NE2 2.95Å; H415-H419 AromaticContact NE2-NE2 2.47Å; H415-H419 PolarHBondContact NE2-NE2 3.02Å
416F93.6Very high92.9Very high81 Ų8173.3 Ų73.336%0.35536%0.359SS..Hα-helixtrans-60.8-33.1-179.4-159.2-102.9000112.7W399 L412 T413 K418 H419 T420W399-F416 HydrophobicContact CB-CE2 4.48Å; W399-F416 AromaticContact CE3-CE2 3.85Å; W399-F416 HydrophobicContact CE3-CE2 3.85Å; W399-F416 AromaticContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CE3-CZ 3.86Å; W399-F416 HydrophobicContact CZ3-CZ 4.21Å; L412-F416 PolarHBondContact O-N 3.37Å; T413-F416 PolarHBondContact O-N 3.07Å; F416-K418 PolarHBondContact O-N 3.35Å; F416-K418 VanDerWaalsContact O-N 3.1Å; F416-H419 PolarHBondContact O-N 3.09Å; F416-T420 HydrophobicContact CD1-CG2 3.9Å; F416-T420 HydrophobicContact CE1-CG2 3.61Å; F416-T420 HydrophobicContact CZ-CG2 4.4Å; F416-T420 PolarHBondContact O-N 2.97Å; F416-T420 VanDerWaalsContact O-N 3.16Å; F416-T420 PolarHBondContact O-OG1 2.73Å
417R94.6Very high93Very high64 Ų6472.3 Ų72.324%0.24236%0.356CS..Hα-helixtrans-59.2-15.4169.9-68.4-178.3-173.2162.44.5115T413 H415 G421 H422 S435T413-R417 PolarHBondContact O-N 2.87Å; H415-R417 PolarHBondContact O-N 2.81Å; R417-G421 CarbonylContact O-C 3.59Å; R417-G421 WeakPolarHBondContact O-CA 3.44Å; R417-G421 PolarHBondContact O-N 2.77Å; R417-H422 HydrophobicContact CG-CB 4.29Å; R417-H422 PolarHBondContact O-N 3.03Å; R417-S435 PolarHBondContact NH1-O 2.81Å
418K92.1Very high93.3Very high171 Ų17178.9 Ų78.974%0.74338%0.383SS*.Hα-helixtrans-73.8-38.3170.1-66-169165.5-155.80112H415 F416H415-K418 WeakPolarHBondContact O-CB 3.38Å; H415-K418 WeakPolarHBondContact O-CG 3.27Å; H415-K418 PolarHBondContact O-N 2.77Å; F416-K418 PolarHBondContact O-N 3.35Å; F416-K418 VanDerWaalsContact O-N 3.1Å
419H92.6Very high93.6Very high67 Ų6778.3 Ų78.331%0.3139%0.388SS..Hα-helixtrans-76-45.4-179-59.3-48.6000111.6C397 W399 C402 H415 F416 G421C397-H419 PolarHBondContact SG-NE2 3.2Å; W399-H419 AromaticContact CD1-ND1 3.98Å; W399-H419 HydrophobicContact CD2-CB 3.47Å; W399-H419 VanDerWaalsContact CD2-CB 3.47Å; W399-H419 AromaticContact CD2-CD2 3.98Å; W399-H419 AromaticContact CD2-CG 3.69Å; W399-H419 HydrophobicContact CE3-CB 3.5Å; W399-H419 VanDerWaalsContact CE3-CB 3.5Å; W399-H419 HydrophobicContact CG-CB 4.04Å; W399-H419 AromaticContact CG-CD2 3.67Å; W399-H419 AromaticContact CG-CG 3.68Å; W399-H419 HydrophobicContact CH2-CB 3.96Å; W399-H419 HydrophobicContact CZ2-CB 3.94Å; W399-H419 HydrophobicContact CZ3-CB 3.75Å; C402-H419 VanDerWaalsContact CB-NE2 3.28Å; C402-H419 WeakPolarHBondContact CB-NE2 3.29Å; C402-H419 PolarHBondContact SG-CE1 3.43Å; C402-H419 PolarHBondContact SG-NE2 3.03Å; H415-H419 AromaticContact CD2-NE2 3.35Å; H415-H419 PolarHBondContact CD2-NE2 3.39Å; H415-H419 VanDerWaalsContact CD2-NE2 3.35Å; H415-H419 AromaticContact CE1-NE2 3.22Å; H415-H419 PolarHBondContact CE1-NE2 2.95Å; H415-H419 AromaticContact NE2-NE2 2.47Å; H415-H419 PolarHBondContact NE2-NE2 3.02Å; F416-H419 PolarHBondContact O-N 3.09Å; H419-G421 VanDerWaalsContact C-N 3.28Å; H419-G421 PolarHBondContact O-N 3.41Å
420T92.4Very high93.8Very high69 Ų6977.4 Ų77.442%0.42338%0.381SS..SBendtrans-80.5-5.317960.20000114W399 F416 H422W399-T420 HydrophobicContact CZ3-CG2 3.98Å; F416-T420 HydrophobicContact CD1-CG2 3.9Å; F416-T420 HydrophobicContact CE1-CG2 3.61Å; F416-T420 HydrophobicContact CZ-CG2 4.4Å; F416-T420 PolarHBondContact O-N 2.97Å; F416-T420 VanDerWaalsContact O-N 3.16Å; F416-T420 PolarHBondContact O-OG1 2.73Å; T420-H422 PolarHBondContact O-N 2.93Å; T420-H422 WeakPolarHBondContact OG1-CB 3.26Å
421G91.8Very high93.9Very high47 Ų4782.7 Ų82.749%0.48540%0.403SS..  trans628.7-173.100000115.1R417 H419 R423R417-G421 CarbonylContact O-C 3.59Å; R417-G421 WeakPolarHBondContact O-CA 3.44Å; R417-G421 PolarHBondContact O-N 2.77Å; H419-G421 VanDerWaalsContact C-N 3.28Å; H419-G421 PolarHBondContact O-N 3.41Å; G421-R423 WeakPolarHBondContact O-CG 3.5Å; G421-R423 PolarHBondContact O-N 3.42Å
422H93.1Very high94Very high83 Ų8386 Ų8638%0.38441%0.414SS..  trans-67.6120.3-167.2179.3-162.6000112.9R417 T420 P424R417-H422 HydrophobicContact CG-CB 4.29Å; R417-H422 PolarHBondContact O-N 3.03Å; T420-H422 PolarHBondContact O-N 2.93Å; T420-H422 WeakPolarHBondContact OG1-CB 3.26Å; H422-P424 WeakPolarHBondContact O-CD 3.13Å
423R93.3Very high94Very high137 Ų13785.8 Ų85.852%0.51742%0.416SS..  trans-12371.3-173.9-69.5160.784.6140.47.4112.4G421 F425 A433 F434G421-R423 WeakPolarHBondContact O-CG 3.5Å; G421-R423 PolarHBondContact O-N 3.42Å; R423-F425 PolarHBondContact O-N 3.43Å; R423-F425 VanDerWaalsContact O-N 3.12Å; R423-A433 HydrophobicContact CB-CB 3.84Å; R423-A433 VanDerWaalsContact CZ-O 3.25Å; R423-A433 PolarHBondContact NE-O 3.32Å; R423-A433 PolarHBondContact NH2-O 3.45Å; R423-F434 CarbonylContact C-O 3.52Å; R423-F434 VanDerWaalsContact CA-O 3.28Å; R423-F434 WeakPolarHBondContact CA-O 3.34Å
424P92.1Very high94.1Very high52 Ų5283.9 Ų83.934%0.33840%0.401SS..  trans-71.3-3.6-172.727.4-33.9000115.5H422H422-P424 WeakPolarHBondContact O-CD 3.13Å
425F95.7Very high94.2Very high65 Ų6580.5 Ų80.529%0.28539%0.394SS..EExtended strand (participates in β ladder)trans-107.686.5-177.9-57.6-75.8000110.8R423 A433 F434 R436 L440R423-F425 PolarHBondContact O-N 3.43Å; R423-F425 VanDerWaalsContact O-N 3.12Å; F425-A433 CarbonylContact O-C 3.4Å; F425-A433 WeakPolarHBondContact O-CA 3.28Å; F425-F434 HydrophobicContact CB-CB 4.3Å; F425-F434 WeakPolarHBondContact CB-O 3.4Å; F425-F434 PolarHBondContact N-O 3.07Å; F425-F434 WeakPolarHBondContact O-CD2 3.08Å; F425-F434 PolarHBondContact O-N 3.25Å; F425-R436 VanDerWaalsContact CD2-CA 3.5Å; F425-L440 HydrophobicContact CB-CB 4.17Å; F425-L440 HydrophobicContact CB-CD2 3.92Å
426Q95.7Very high94.1Very high134 Ų13482.9 Ų82.963%0.62640%0.402SS*.EExtended strand (participates in β ladder)trans-79.1143176.4-161.4172.8-0.100111.8A433 L440Q426-A433 HydrophobicContact CG-CB 4.49Å; Q426-L440 WeakPolarHBondContact O-CD2 3.42Å
427C96.9Very high94.2Very high6 Ų682.3 Ų82.34%0.04141%0.409CS..  trans-78.8141.9167-178.60000110.1L429 C430 R432 L440 H447C427-L429 PolarHBondContact SG-N 3.25Å; C427-L429 VanDerWaalsContact SG-N 3.4Å; C427-C430 CarbonylContact C-O 3.52Å; C427-C430 WeakPolarHBondContact CB-O 3.46Å; C427-R432 WeakPolarHBondContact CB-O 3.46Å; C427-R432 PolarHBondContact N-O 3.02Å; C427-L440 HydrophobicContact CB-CD1 3.79Å; C427-H447 PolarHBondContact SG-NE2 3.14Å; C427-H447 VanDerWaalsContact SG-NE2 3.44Å
428H94.9Very high94.2Very high153 Ų15382.4 Ų82.471%0.70841%0.414SS*.SBendtrans-92.4-5177.459.1-93.7000113.5M444H428-M444 VanDerWaalsContact CE1-CE 3.44Å; H428-M444 WeakPolarHBondContact CE1-CE 3.45Å
429L95.3Very high94.4Very high98 Ų9879.1 Ų79.151%0.51340%0.401SS..SBendtrans-106.2-11.4177.9-57.9179000113.1C427 M444 H447C427-L429 PolarHBondContact SG-N 3.25Å; C427-L429 VanDerWaalsContact SG-N 3.4Å; L429-M444 HydrophobicContact CD1-CE 3.6Å; L429-M444 HydrophobicContact CG-CE 4.06Å; L429-H447 HydrophobicContact CD1-CB 3.52Å
430C95.9Very high94.6Very high43 Ų4377.3 Ų77.329%0.29139%0.394SS..SBendtrans-161.3162.6170.471.40000109.9C427 R432 H443C427-C430 CarbonylContact C-O 3.52Å; C427-C430 WeakPolarHBondContact CB-O 3.46Å; C430-R432 PolarHBondContact O-N 3.44Å; C430-H443 PolarHBondContact SG-NE2 3.46Å
431E93.9Very high94.8Very high184 Ų18476.7 Ų76.786%0.8640%0.395SS*.SBendtrans-67.45.2-172.9-61.8169.1179.200115.4A433E431-A433 PolarHBondContact O-N 2.77Å
432R94.8Very high95Very high120 Ų12079.4 Ų79.445%0.45340%0.398SS..  trans-74.7115.9-176.5-68.3-176.9171-174.8-3.1111.8C427 C430 F434C427-R432 WeakPolarHBondContact CB-O 3.46Å; C427-R432 PolarHBondContact N-O 3.02Å; C430-R432 PolarHBondContact O-N 3.44Å; R432-F434 HydrophobicContact CB-CE2 3.86Å; R432-F434 HydrophobicContact CB-CZ 3.96Å; R432-F434 VanDerWaalsContact O-CE2 3.26Å; R432-F434 WeakPolarHBondContact O-CE2 3.44Å
433A95.5Very high95.1Very high24 Ų2476 Ų7620%0.19838%0.383CS..EExtended strand (participates in β ladder)trans-98153.9171.200000113.2R423 F425 Q426 E431R423-A433 HydrophobicContact CB-CB 3.84Å; R423-A433 VanDerWaalsContact CZ-O 3.25Å; R423-A433 PolarHBondContact NE-O 3.32Å; R423-A433 PolarHBondContact NH2-O 3.45Å; F425-A433 CarbonylContact O-C 3.4Å; F425-A433 WeakPolarHBondContact O-CA 3.28Å; Q426-A433 HydrophobicContact CG-CB 4.49Å; E431-A433 PolarHBondContact O-N 2.77Å
434F94.9Very high95.3Very high37 Ų3771.3 Ų71.316%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-133.7148.7-176.2-59.2-90.7000111.8R423 F425 R432 R436 H439 L440 H443R423-F434 CarbonylContact C-O 3.52Å; R423-F434 VanDerWaalsContact CA-O 3.28Å; R423-F434 WeakPolarHBondContact CA-O 3.34Å; F425-F434 HydrophobicContact CB-CB 4.3Å; F425-F434 WeakPolarHBondContact CB-O 3.4Å; F425-F434 PolarHBondContact N-O 3.07Å; F425-F434 WeakPolarHBondContact O-CD2 3.08Å; F425-F434 PolarHBondContact O-N 3.25Å; R432-F434 HydrophobicContact CB-CE2 3.86Å; R432-F434 HydrophobicContact CB-CZ 3.96Å; R432-F434 VanDerWaalsContact O-CE2 3.26Å; R432-F434 WeakPolarHBondContact O-CE2 3.44Å; F434-R436 VanDerWaalsContact C-N 3.28Å; F434-R436 PolarHBondContact O-N 3.01Å; F434-H439 HydrophobicContact CB-CB 4.19Å; F434-H439 HydrophobicContact CD1-CB 3.88Å; F434-H439 HydrophobicContact CG-CB 4.29Å; F434-L440 HydrophobicContact CB-CB 4.41Å; F434-L440 HydrophobicContact CD2-CB 3.97Å; F434-L440 HydrophobicContact CD2-CD1 3.94Å; F434-L440 HydrophobicContact CE2-CD1 4.08Å; F434-L440 HydrophobicContact CG-CB 4.33Å; F434-H443 HydrophobicContact CE1-CB 4.12Å; F434-H443 HydrophobicContact CE2-CB 3.97Å; F434-H443 AromaticContact CE2-CD2 3.27Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.32Å; F434-H443 AromaticContact CE2-CG 3.77Å; F434-H443 HydrophobicContact CZ-CB 3.54Å; F434-H443 AromaticContact CZ-CD2 3.38Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.41Å; F434-H443 AromaticContact CZ-CG 3.41Å; F434-H443 VanDerWaalsContact CZ-CG 3.41Å
435S94Very high95.4Very high37 Ų3775.5 Ų75.526%0.25938%0.38SS..SBendtrans-80.3-8176.756.80000113.8R417R417-S435 PolarHBondContact NH1-O 2.81Å
436R94.2Very high95.4Very high68 Ų6881.6 Ų81.626%0.25740%0.401SS..SBendtrans-141.7145.3-179.4-57.9159.756.1157-3.6111.8R414 F425 F434 D438 H439 L440R414-R436 HydrophobicContact CG-CG 4.34Å; F425-R436 VanDerWaalsContact CD2-CA 3.5Å; F434-R436 VanDerWaalsContact C-N 3.28Å; F434-R436 PolarHBondContact O-N 3.01Å; R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.53Å; R436-D438 IonicContact CZ-OD2 3.53Å; R436-D438 IonicContact NE-OD1 2.85Å; R436-D438 PolarHBondContact NE-OD1 2.96Å; R436-D438 IonicContact NE-OD2 3.66Å; R436-D438 IonicContact NH2-OD1 3.4Å; R436-D438 PolarHBondContact NH2-OD1 2.79Å; R436-D438 IonicContact NH2-OD2 2.67Å; R436-D438 PolarHBondContact NH2-OD2 3.15Å; R436-H439 HydrophobicContact CB-CB 4.33Å; R436-H439 PolarHBondContact NH1-NE2 3.48Å; R436-H439 VanDerWaalsContact NH1-NE2 3.19Å; R436-H439 PolarHBondContact NH2-NE2 3.14Å; R436-H439 PolarHBondContact O-N 3.16Å; R436-L440 PolarHBondContact O-N 2.99Å
437S95.1Very high95.2Very high70 Ų7078.7 Ų78.749%0.4939%0.387SS..Hα-helixtrans-70.7-30.9178.949.60000113.8H439 L440 A441S437-H439 VanDerWaalsContact C-N 3.34Å; S437-L440 PolarHBondContact O-N 3.15Å; S437-A441 WeakPolarHBondContact O-CB 3.4Å; S437-A441 PolarHBondContact O-N 3.09Å
438D95.3Very high94.7Very high66 Ų6688.7 Ų88.735%0.35344%0.436SS..Hα-helixtrans-70.6-32.4176.668.4-41.1000112.1R436 A441 L442R436-D438 WeakPolarHBondContact CB-OD1 3.39Å; R436-D438 IonicContact CZ-OD1 3.53Å; R436-D438 IonicContact CZ-OD2 3.53Å; R436-D438 IonicContact NE-OD1 2.85Å; R436-D438 PolarHBondContact NE-OD1 2.96Å; R436-D438 IonicContact NE-OD2 3.66Å; R436-D438 IonicContact NH2-OD1 3.4Å; R436-D438 PolarHBondContact NH2-OD1 2.79Å; R436-D438 IonicContact NH2-OD2 2.67Å; R436-D438 PolarHBondContact NH2-OD2 3.15Å; D438-A441 PolarHBondContact O-N 3.32Å; D438-L442 WeakPolarHBondContact O-CG 3.49Å; D438-L442 PolarHBondContact O-N 3.4Å
439H95.9Very high94.7Very high102 Ų10285.5 Ų85.547%0.47242%0.422SS..Hα-helixtrans-65.9-43.7171.1-71.8-156.2000111.3F434 R436 S437 L442 H443F434-H439 HydrophobicContact CB-CB 4.19Å; F434-H439 HydrophobicContact CD1-CB 3.88Å; F434-H439 HydrophobicContact CG-CB 4.29Å; R436-H439 HydrophobicContact CB-CB 4.33Å; R436-H439 PolarHBondContact NH1-NE2 3.48Å; R436-H439 VanDerWaalsContact NH1-NE2 3.19Å; R436-H439 PolarHBondContact NH2-NE2 3.14Å; R436-H439 PolarHBondContact O-N 3.16Å; S437-H439 VanDerWaalsContact C-N 3.34Å; H439-L442 PolarHBondContact O-N 2.98Å; H439-H443 WeakPolarHBondContact O-CB 3.33Å; H439-H443 PolarHBondContact O-N 3.12Å
440L96.4Very high94.7Very high29 Ų2984.8 Ų84.815%0.15242%0.417CS..Hα-helixtrans-60.9-46.8171.7174.459.8000111.3F425 Q426 C427 F434 R436 S437 L442 H443 M444F425-L440 HydrophobicContact CB-CB 4.17Å; F425-L440 HydrophobicContact CB-CD2 3.92Å; Q426-L440 WeakPolarHBondContact O-CD2 3.42Å; C427-L440 HydrophobicContact CB-CD1 3.79Å; F434-L440 HydrophobicContact CB-CB 4.41Å; F434-L440 HydrophobicContact CD2-CB 3.97Å; F434-L440 HydrophobicContact CD2-CD1 3.94Å; F434-L440 HydrophobicContact CE2-CD1 4.08Å; F434-L440 HydrophobicContact CG-CB 4.33Å; R436-L440 PolarHBondContact O-N 2.99Å; S437-L440 PolarHBondContact O-N 3.15Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.73Å; L440-H443 CarbonylContact O-C 3.55Å; L440-H443 WeakPolarHBondContact O-CA 3.32Å; L440-H443 WeakPolarHBondContact O-CB 3.47Å; L440-H443 PolarHBondContact O-N 3.26Å; L440-M444 HydrophobicContact CD1-CG 4.17Å; L440-M444 HydrophobicContact CD1-SD 3.98Å; L440-M444 HydrophobicContact CG-CG 4.42Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 2.79Å
441A96.1Very high94.6Very high56 Ų5687.1 Ų87.146%0.46342%0.424SS..Hα-helixtrans-62.8-33.6-179.800000113.3S437 D438S437-A441 WeakPolarHBondContact O-CB 3.4Å; S437-A441 PolarHBondContact O-N 3.09Å; D438-A441 PolarHBondContact O-N 3.32Å
442L96.4Very high94.7Very high104 Ų10481.4 Ų81.455%0.54540%0.399SS..Hα-helixtrans-73.1-34.2170.7-71.6173.4000112.4D438 H439 L440D438-L442 WeakPolarHBondContact O-CG 3.49Å; D438-L442 PolarHBondContact O-N 3.4Å; H439-L442 PolarHBondContact O-N 2.98Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 2.73Å
443H95.9Very high94.7Very high12 Ų1279 Ų796%0.05640%0.395CS..Hα-helixtrans-67.4-39.3174169.947.5000112.8C430 F434 H439 L440 K445 R446 H447C430-H443 PolarHBondContact SG-NE2 3.46Å; F434-H443 HydrophobicContact CE1-CB 4.12Å; F434-H443 HydrophobicContact CE2-CB 3.97Å; F434-H443 AromaticContact CE2-CD2 3.27Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.32Å; F434-H443 AromaticContact CE2-CG 3.77Å; F434-H443 HydrophobicContact CZ-CB 3.54Å; F434-H443 AromaticContact CZ-CD2 3.38Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.41Å; F434-H443 AromaticContact CZ-CG 3.41Å; F434-H443 VanDerWaalsContact CZ-CG 3.41Å; H439-H443 WeakPolarHBondContact O-CB 3.33Å; H439-H443 PolarHBondContact O-N 3.12Å; L440-H443 CarbonylContact O-C 3.55Å; L440-H443 WeakPolarHBondContact O-CA 3.32Å; L440-H443 WeakPolarHBondContact O-CB 3.47Å; L440-H443 PolarHBondContact O-N 3.26Å; H443-K445 PolarHBondContact O-N 2.87Å; H443-K445 VanDerWaalsContact O-N 3.16Å; H443-R446 VanDerWaalsContact O-CB 3.27Å; H443-R446 WeakPolarHBondContact O-CB 3.5Å; H443-R446 WeakPolarHBondContact O-CG 3.33Å; H443-R446 PolarHBondContact O-N 3.29Å; H443-H447 AromaticContact CE1-CD2 3.94Å; H443-H447 AromaticContact CE1-CE1 3.75Å; H443-H447 AromaticContact CE1-NE2 3.13Å; H443-H447 PolarHBondContact CE1-NE2 2.94Å; H443-H447 AromaticContact NE2-CD2 3.93Å; H443-H447 AromaticContact NE2-CE1 3.99Å; H443-H447 AromaticContact NE2-NE2 3.07Å; H443-H447 PolarHBondContact NE2-NE2 3.45Å
444M95.7Very high94.6Very high37 Ų3782.7 Ų82.718%0.18241%0.409CS..Hα-helixtrans-56.8-32178.8-69.2-52.3-57.600112.6H428 L429 L440 R446 H447H428-M444 VanDerWaalsContact CE1-CE 3.44Å; H428-M444 WeakPolarHBondContact CE1-CE 3.45Å; L429-M444 HydrophobicContact CD1-CE 3.6Å; L429-M444 HydrophobicContact CG-CE 4.06Å; L440-M444 HydrophobicContact CD1-CG 4.17Å; L440-M444 HydrophobicContact CD1-SD 3.98Å; L440-M444 HydrophobicContact CG-CG 4.42Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 2.79Å; M444-R446 PolarHBondContact O-N 2.8Å; M444-H447 PolarHBondContact O-N 2.82Å
445K95.9Very high94.6Very high141 Ų14185.9 Ų85.961%0.61343%0.426SS*.THydrogen-bonded Turntrans-65.60.6173.6-58.5-177.9179.9-174.70114.9H443H443-K445 PolarHBondContact O-N 2.87Å; H443-K445 VanDerWaalsContact O-N 3.16Å
446R94.4Very high94.6Very high192 Ų19289.7 Ų89.773%0.72544%0.439SS*.THydrogen-bonded Turntrans-103.6-1.2175.3-52.1176.471.1161.74.3111.9H443 M444H443-R446 VanDerWaalsContact O-CB 3.27Å; H443-R446 WeakPolarHBondContact O-CB 3.5Å; H443-R446 WeakPolarHBondContact O-CG 3.33Å; H443-R446 PolarHBondContact O-N 3.29Å; M444-R446 PolarHBondContact O-N 2.8Å
447H91.7Very high94.7Very high74 Ų7491.5 Ų91.534%0.34345%0.454SS..  trans-114.917.9171.5-54.2-65.8000111.3C427 L429 H443 M444C427-H447 PolarHBondContact SG-NE2 3.14Å; C427-H447 VanDerWaalsContact SG-NE2 3.44Å; L429-H447 HydrophobicContact CD1-CB 3.52Å; H443-H447 AromaticContact CE1-CD2 3.94Å; H443-H447 AromaticContact CE1-CE1 3.75Å; H443-H447 AromaticContact CE1-NE2 3.13Å; H443-H447 PolarHBondContact CE1-NE2 2.94Å; H443-H447 AromaticContact NE2-CD2 3.93Å; H443-H447 AromaticContact NE2-CE1 3.99Å; H443-H447 AromaticContact NE2-NE2 3.07Å; H443-H447 PolarHBondContact NE2-NE2 3.45Å; M444-H447 PolarHBondContact O-N 2.82Å
448M87.2Confident94.6Very high215 Ų21593.5 Ų93.5100%1.05945%0.451SS*.  trans-128.50179.3-60.9-175.677.100109.1

Retrieved 448 of 448 residues in 52.4 ms (Link to these results)