A0A087XV25_POEFO Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XV25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1R46Very low43.6Very low300 Ų300147.9 Ų147.9100%1.13284%0.843SS**  0140.60-158.2178.8-160.2164.84.8107.3
2M35.8Very low44.1Very low181 Ų181148.6 Ų148.689%0.89283%0.829SS**  trans100.299.5-179.9-49.5-143110.500114.7
3H40.3Very low45.6Very low180 Ų180142.3 Ų142.383%0.83380%0.802SS**PPolyproline II helixtrans-87.5146.5164.3-66.6-92000109.1
4P49.7Very low46.3Very low128 Ų128139.7 Ų139.783%0.83179%0.79SS**PPolyproline II helixtrans-81.3130.9165.731-28.1000110.6
5S34.2Very low47Very low116 Ų116141.2 Ų141.281%0.81179%0.785SS**PPolyproline II helixtrans-71141.9-177.3-39.30000112.7S7S5-S7 PolarHBondContact O-N 3.38Å
6S41.5Very low47.9Very low122 Ų122136.7 Ų136.785%0.85376%0.759SS**PPolyproline II helixtrans-53119.6172.2-31.30000111.8T8S6-T8 PolarHBondContact O-N 3.34Å
7S42.1Very low48.5Very low120 Ų120134.2 Ų134.284%0.83974%0.742SS**PPolyproline II helixtrans-67.8123.4175.946.90000111.3S5S5-S7 PolarHBondContact O-N 3.38Å
8T41.7Very low48.9Very low133 Ų133132.8 Ų132.882%0.81673%0.733SS**PPolyproline II helixtrans-52.2129.6177.7-54.80000113.7S6 T10S6-T8 PolarHBondContact O-N 3.34Å; T8-T10 PolarHBondContact O-N 3.31Å
9S40.5Very low49.3Very low106 Ų106133.7 Ų133.774%0.74173%0.729SS**  trans-44.6116.1164.5158.90000112.4
10T49.4Very low49.5Very low126 Ų126132.7 Ų132.777%0.77372%0.722SS**  trans-67.6128.616548.70000109.9T8 F12T8-T10 PolarHBondContact O-N 3.31Å; T10-F12 PolarHBondContact O-N 3.07Å
11P58.3Low49.6Very low115 Ų115131.2 Ų131.275%0.74771%0.714SS**  trans-77.7122.6175.231-28.9000109.4
12F49.9Very low49.9Very low156 Ų156124.1 Ų124.168%0.68469%0.688SS**  trans26.4112.1165.7-71.5-86.5000117.8T10 D16T10-F12 PolarHBondContact O-N 3.07Å; F12-D16 HydrophobicContact CD1-CB 3.96Å
13S63.4Low50.4Low67 Ų67122.1 Ų122.147%0.46968%0.676SS.*  trans-69148.2172.9-174.80000110.1K15 D16S13-K15 PolarHBondContact O-N 3.2Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 2.99Å; S13-D16 WeakPolarHBondContact O-CB 3.5Å; S13-D16 PolarHBondContact O-N 3.48Å
14V55.8Low50.9Low106 Ų106120.2 Ų120.264%0.64267%0.667SS**Hα-helixtrans-52.8-26.6173.9178.70000111.7D16 I17 L18V14-D16 VanDerWaalsContact C-N 3.33Å; V14-D16 PolarHBondContact O-N 2.8Å; V14-I17 PolarHBondContact O-N 3.24Å; V14-L18 HydrophobicContact CG1-CD1 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 3.42Å
15K56Low50.6Low162 Ų162119.2 Ų119.270%0.70466%0.655SS**Hα-helixtrans-65.4-31.1173.4-76.5-176173.2-178.70114S13 K19S13-K15 PolarHBondContact O-N 3.2Å; K15-K19 PolarHBondContact O-N 3.45Å
16D61.4Low51.1Low69 Ų69118 Ų11837%0.36964%0.637SS.*Hα-helixtrans-77.1-32.6179.9-56.3-40.9000111.1F12 S13 V14 K19 L20F12-D16 HydrophobicContact CD1-CB 3.96Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 2.99Å; S13-D16 WeakPolarHBondContact O-CB 3.5Å; S13-D16 PolarHBondContact O-N 3.48Å; V14-D16 VanDerWaalsContact C-N 3.33Å; V14-D16 PolarHBondContact O-N 2.8Å; D16-K19 PolarHBondContact O-N 3.24Å; D16-L20 PolarHBondContact O-N 3.41Å; D16-L20 VanDerWaalsContact O-N 3.14Å
17I58Low51.4Low94 Ų94119.1 Ų119.148%0.48263%0.628SS.*Hα-helixtrans-67.1-45.6175.5-59.8173.8000110.3V14 K19 L20 D21V14-I17 PolarHBondContact O-N 3.24Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-D21 PolarHBondContact O-N 3.26Å; I17-D21 VanDerWaalsContact O-N 3.16Å
18L56.7Low51.5Low110 Ų110120.3 Ų120.358%0.57662%0.62SS**Hα-helixtrans-69.8-26.8178.9-65.5173.5000112.7V14 Y22V14-L18 HydrophobicContact CG1-CD1 4.35Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 3.42Å; L18-Y22 PolarHBondContact O-N 3.48Å; L18-Y22 VanDerWaalsContact O-N 3.09Å
19K57Low51.6Low150 Ų150117.9 Ų117.965%0.65260%0.603SS**Hα-helixtrans-72.6-32.1172.5-104.8177.2175.9-179.10113.2K15 D16 I17 Y22 H23K15-K19 PolarHBondContact O-N 3.45Å; D16-K19 PolarHBondContact O-N 3.24Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3.14Å; K19-Y22 PolarHBondContact O-N 3.48Å; K19-H23 PolarHBondContact O-N 3.16Å; K19-H23 VanDerWaalsContact O-N 3.16Å
20L53.4Low51.6Low113 Ų113118.4 Ų118.459%0.59260%0.597SS**Hα-helixtrans-67.8-41.7172.7-85159.3000111.4D16 I17 Y22 H23 Q24D16-L20 PolarHBondContact O-N 3.41Å; D16-L20 VanDerWaalsContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 3.46Å; L20-Y22 VanDerWaalsContact C-N 3.33Å; L20-Y22 PolarHBondContact O-N 3.09Å; L20-H23 PolarHBondContact O-N 3.16Å; L20-Q24 WeakPolarHBondContact O-CB 3.4Å; L20-Q24 PolarHBondContact O-N 3Å; L20-Q24 VanDerWaalsContact O-N 3.07Å
21D51.6Low51.4Low102 Ų102118.3 Ų118.355%0.54559%0.591SS.*Hα-helixtrans-65.6-35.1174.4-80.4-20.6000112.1I17 Q24 N25I17-D21 PolarHBondContact O-N 3.26Å; I17-D21 VanDerWaalsContact O-N 3.16Å; D21-Q24 PolarHBondContact O-N 3.38Å; D21-N25 PolarHBondContact O-N 3.38Å; D21-N25 VanDerWaalsContact O-N 3.16Å
22Y50.4Low50.8Low150 Ų150119.2 Ų119.259%0.58859%0.585SS**Hα-helixtrans-64.5-44.8175.8-168.8-89.7000112.2L18 K19 L20 Q24 N25 E26L18-Y22 PolarHBondContact O-N 3.48Å; L18-Y22 VanDerWaalsContact O-N 3.09Å; K19-Y22 PolarHBondContact O-N 3.48Å; L20-Y22 VanDerWaalsContact C-N 3.33Å; L20-Y22 PolarHBondContact O-N 3.09Å; Y22-Q24 PolarHBondContact O-N 3.25Å; Y22-N25 PolarHBondContact O-N 3.16Å; Y22-E26 HydrophobicContact CD1-CG 4.29Å; Y22-E26 HydrophobicContact CE1-CG 4Å; Y22-E26 WeakPolarHBondContact O-CG 3.45Å; Y22-E26 PolarHBondContact O-N 3.49Å
23H48.2Very low50.4Low140 Ų140119.7 Ų119.765%0.64859%0.592SS**Hα-helixtrans-70.4-29.6178-94.8-71000113.7K19 L20 N25 H27K19-H23 PolarHBondContact O-N 3.16Å; K19-H23 VanDerWaalsContact O-N 3.16Å; L20-H23 PolarHBondContact O-N 3.16Å; H23-N25 VanDerWaalsContact C-N 3.34Å; H23-H27 PolarHBondContact O-N 3.49Å
24Q48.9Very low49.6Very low139 Ų139122.7 Ų122.765%0.6560%0.6SS**Hα-helixtrans-74.1-27.5177-166.3138.20.500112.3L20 D21 Y22L20-Q24 WeakPolarHBondContact O-CB 3.4Å; L20-Q24 PolarHBondContact O-N 3Å; L20-Q24 VanDerWaalsContact O-N 3.07Å; D21-Q24 PolarHBondContact O-N 3.38Å; Y22-Q24 PolarHBondContact O-N 3.25Å
25N43.5Very low48.9Very low107 Ų107124.4 Ų124.457%0.57261%0.605SS**Hα-helixtrans-78.7-33.9176.5-129.2-3.6000113D21 Y22 H23 H27 E28 N29D21-N25 PolarHBondContact O-N 3.38Å; D21-N25 VanDerWaalsContact O-N 3.16Å; Y22-N25 PolarHBondContact O-N 3.16Å; H23-N25 VanDerWaalsContact C-N 3.34Å; N25-H27 VanDerWaalsContact C-N 3.33Å; N25-E28 PolarHBondContact O-N 3.49Å; N25-N29 PolarHBondContact O-N 3.46Å; N25-N29 PolarHBondContact O-ND2 3.07Å
26E45.6Very low48.2Very low91 Ų91124.9 Ų124.943%0.42561%0.61SS.*Hα-helixtrans-64.5-38.6175.3-67.5-89.2116.200111.1Y22 E28 N29 D30Y22-E26 HydrophobicContact CD1-CG 4.29Å; Y22-E26 HydrophobicContact CE1-CG 4Å; Y22-E26 WeakPolarHBondContact O-CG 3.45Å; Y22-E26 PolarHBondContact O-N 3.49Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.42Å; E26-N29 PolarHBondContact O-N 3Å; E26-D30 WeakPolarHBondContact O-CB 3.46Å; E26-D30 PolarHBondContact O-N 3.4Å
27H46.9Very low47.6Very low146 Ų146128.3 Ų128.368%0.67663%0.633SS**Hα-helixtrans-72.4-22.1-179.9-130.6-58.9000113.9H23 N25H23-H27 PolarHBondContact O-N 3.49Å; N25-H27 VanDerWaalsContact C-N 3.33Å
28E45Very low46.7Very low144 Ų144130 Ų13067%0.67365%0.648SS**Hα-helixtrans-87.6-33.6174.1-71.2-102.5141.100111.6N25 E26 L31N25-E28 PolarHBondContact O-N 3.49Å; E26-E28 VanDerWaalsContact C-N 3.31Å; E26-E28 PolarHBondContact O-N 3.42Å; E28-L31 PolarHBondContact O-N 3.17Å
29N43.8Very low46.1Very low83 Ų83130.4 Ų130.444%0.44466%0.657SS.*Hα-helixtrans-73.1-38174.9-88.2-41.2000112.9N25 E26 L31 Q32 M33N25-N29 PolarHBondContact O-N 3.46Å; N25-N29 PolarHBondContact O-ND2 3.07Å; E26-N29 PolarHBondContact O-N 3Å; N29-L31 PolarHBondContact O-N 3.34Å; N29-Q32 PolarHBondContact O-N 2.95Å; N29-M33 PolarHBondContact O-N 3.4Å
30D39.8Very low45.6Very low116 Ų116130.7 Ų130.762%0.6266%0.662SS**THydrogen-bonded Turntrans-64.5-19.3173.8-94-10.7000111.9E26 M34E26-D30 WeakPolarHBondContact O-CB 3.46Å; E26-D30 PolarHBondContact O-N 3.4Å; D30-M34 WeakPolarHBondContact O-CE 3.44Å
31L45.7Very low45.3Very low124 Ų124133.5 Ų133.565%0.64967%0.672SS**THydrogen-bonded Turntrans-82.4-14.5173-121.175.8000114.4E28 N29 M34E28-L31 PolarHBondContact O-N 3.17Å; N29-L31 PolarHBondContact O-N 3.34Å; L31-M34 VanDerWaalsContact CA-CE 3.42Å; L31-M34 HydrophobicContact CB-CE 4.28Å; L31-M34 HydrophobicContact CD1-CE 3.86Å; L31-M34 HydrophobicContact CG-CE 3.88Å
32Q46Very low44.8Very low135 Ų135137.8 Ų137.863%0.63169%0.689SS**THydrogen-bonded Turntrans-100.8-11.5-172.7-137.1171.8-1.200113.2N29N29-Q32 PolarHBondContact O-N 2.95Å
33M41.9Very low44.2Very low166 Ų166139.6 Ų139.682%0.81870%0.702SS**THydrogen-bonded Turntrans-89.1-5.7-177.4-89.2-74.4-178.600115.3N29N29-M33 PolarHBondContact O-N 3.4Å
34M46.7Very low44.2Very low130 Ų130141.3 Ų141.364%0.6471%0.711SS**THydrogen-bonded Turntrans-96.53.2175.941.8-86.7-156.200115.1D30 L31D30-M34 WeakPolarHBondContact O-CE 3.44Å; L31-M34 VanDerWaalsContact CA-CE 3.42Å; L31-M34 HydrophobicContact CB-CE 4.28Å; L31-M34 HydrophobicContact CD1-CE 3.86Å; L31-M34 HydrophobicContact CG-CE 3.88Å
35D41Very low44.1Very low142 Ų142143.1 Ų143.176%0.75972%0.724SS**SBendtrans-114.116.3-176.8-150.126.9000114.5
36Q41.2Very low43.8Very low172 Ų172147.3 Ų147.380%0.80474%0.742SS**  trans-12064.8175.5-73.5-168.632.700112.9
37V48.8Very low43.7Very low141 Ų141154.6 Ų154.686%0.85577%0.766SS**  trans-141.384.7150.8-166.80000109.1
38V37.6Very low43.4Very low129 Ų129152.6 Ų152.678%0.78278%0.775SS**  trans-117.2128.7163.5-178.80000108.5
39P45.7Very low42.9Very low118 Ų118150.6 Ų150.677%0.76678%0.783SS**  trans-72.6134.3-167.7-12.428000112.7H41P39-H41 PolarHBondContact O-N 2.89Å
40M46.1Very low42.7Very low156 Ų156152 Ų15277%0.76880%0.799SS**  trans-74.995.9174.8-148.1-118.361.400109.3
41H46.8Very low42.7Very low172 Ų172156.2 Ų156.280%0.79681%0.811SS**  trans-164.381165.7-109.583.6000113P39P39-H41 PolarHBondContact O-N 2.89Å
42Q40.8Very low42.2Very low192 Ų192155.1 Ų155.190%0.89781%0.814SS**  trans-161.763.5152.1-146.1147.610.400112.9
43H38.1Very low41.7Very low188 Ų188156.1 Ų156.187%0.8782%0.824SS**  trans-130.736.1169.8-139.9-91.2000113.7
44Q49.1Very low41.6Very low177 Ų177152.1 Ų152.183%0.82783%0.825SS**  trans-145.9100.8169.5-110156-6.800108.2
45L45.1Very low40.8Very low177 Ų177155 Ų15593%0.92783%0.834SS**  trans175.761.6145.6-91.5174.6000109.9
46M37.6Very low40.9Very low194 Ų194159.2 Ų159.296%0.95684%0.841SS**  trans-133.466160.7-95.1-97.7-80.600107.9
47R44.8Very low40.7Very low245 Ų245157.4 Ų157.493%0.92584%0.837SS**  trans-154.477167.9-118.9-169.3-172.6160.23.2109
48A39.7Very low40.3Very low104 Ų104154.9 Ų154.986%0.8683%0.831SS**  trans163.4105.7147.900000109.4
49A34.3Very low40.3Very low102 Ų102156.7 Ų156.784%0.84383%0.831SS**  trans-172.187.1141.300000107.4
50S40Very low40.1Very low111 Ų111156 Ų15678%0.77682%0.824SS**  trans-102.5139.6159.2-57.50000107.3
51K40Very low39.9Very low205 Ų205155.8 Ų155.889%0.89182%0.822SS**  trans85.5132.2177.1-54.1166.2178.6-1800112.2
52S34Very low39.7Very low102 Ų102158.3 Ų158.371%0.71382%0.824SS**  cis-160.415123.852.90000111.3
53D36.6Very low39.7Very low156 Ų156152.4 Ų152.483%0.83480%0.804SS**  trans39.1106.6138-59.3-26.5000120.7
54G39.5Very low40Very low81 Ų81147.4 Ų147.484%0.83579%0.786SS**  52.3100.2118.200000119.3
55F30.3Very low39.7Very low190 Ų190147.5 Ų147.583%0.83378%0.78SS**  trans-166.6112.1142.9-165.6-105.8000109.1D57F55-D57 HydrophobicContact CE1-CB 4.46Å
56Y42.2Very low39.7Very low231 Ų231141.1 Ų141.191%0.90676%0.757SS**  trans-89.5111.9165.3-81-88000107.4
57D38Very low40Very low135 Ų135137.5 Ų137.572%0.72274%0.739SS**  trans-171.8144.5131.8-144.5-12.4000113.5F55F55-D57 HydrophobicContact CE1-CB 4.46Å
58A40Very low39.9Very low88 Ų88129.9 Ų129.973%0.72771%0.714SS**SBendtrans68.827.1152.200000121.9
59Q36.9Very low40.2Very low167 Ų167131.9 Ų131.978%0.7871%0.705SS**  trans-129.613.3164.3-152.9155.129.700115
60T41.2Very low40.7Very low102 Ų102134.5 Ų134.563%0.62670%0.698SS**SBendtrans-81.2-28.5177.3-34.70000112R62 C63 V64T60-R62 PolarHBondContact O-N 3.33Å; T60-C63 PolarHBondContact O-N 3.03Å; T60-V64 WeakPolarHBondContact O-CG2 3.45Å; T60-V64 PolarHBondContact O-N 3.44Å
61E43.3Very low41Very low153 Ų153133 Ų13372%0.71568%0.68SS**Hα-helixtrans-77.2-22.9-174.2-70.3-69.5133.900114.2
62R41.6Very low41.2Very low224 Ų224126.3 Ų126.385%0.84565%0.654SS**Hα-helixtrans-88.6-15.1176.9-150.7173.5-142.6167.47.1113.6T60T60-R62 PolarHBondContact O-N 3.33Å
63C41Very low41.8Very low69 Ų69126.1 Ų126.147%0.46665%0.648SS.*Hα-helixtrans-91.6-21.2179.1-151.90000112.6T60 M67T60-C63 PolarHBondContact O-N 3.03Å; C63-M67 PolarHBondContact O-N 3.49Å; C63-M67 VanDerWaalsContact O-N 3.1Å
64V44.2Very low42Very low83 Ų83125.4 Ų125.450%0.50364%0.64SS.*Hα-helixtrans-70.3-37.5175.1179.90000111.1T60 Q68T60-V64 WeakPolarHBondContact O-CG2 3.45Å; T60-V64 PolarHBondContact O-N 3.44Å; V64-Q68 VanDerWaalsContact O-CB 3.28Å; V64-Q68 WeakPolarHBondContact O-CB 3.38Å; V64-Q68 PolarHBondContact O-N 3.1Å
65Y43Very low42.2Very low179 Ų179128 Ų12870%0.70263%0.625SS**Hα-helixtrans-71.1-34.3174.9-79.7-82.6000113.7E69Y65-E69 PolarHBondContact O-N 3.48Å
66G44.4Very low42.8Very low42 Ų42122.9 Ų122.943%0.43361%0.612SS.*Hα-helixtrans-77.9-23.2178.600000114.9
67M45.2Very low42.8Very low119 Ų119115.6 Ų115.659%0.58660%0.6SS**Hα-helixtrans-86.1-28169.9-69.9-150.7-15600112.6C63 K70 I71C63-M67 PolarHBondContact O-N 3.49Å; C63-M67 VanDerWaalsContact O-N 3.1Å; M67-K70 PolarHBondContact O-N 2.92Å; M67-I71 VanDerWaalsContact O-CG1 3.27Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 2.84Å
68Q42.1Very low42.8Very low84 Ų84113 Ų11339%0.39360%0.598SS.*Hα-helixtrans-66-40175.4-167.557.855.600111.3V64 K70 I71 D72V64-Q68 VanDerWaalsContact O-CB 3.28Å; V64-Q68 WeakPolarHBondContact O-CB 3.38Å; V64-Q68 PolarHBondContact O-N 3.1Å; Q68-K70 VanDerWaalsContact C-N 3.34Å; Q68-K70 PolarHBondContact O-N 3.36Å; Q68-I71 PolarHBondContact O-N 2.85Å; Q68-D72 PolarHBondContact NE2-OD1 2.94Å; Q68-D72 PolarHBondContact NE2-OD2 3.38Å; Q68-D72 PolarHBondContact O-N 3.37Å; Q68-D72 VanDerWaalsContact O-OD2 3.12Å
69E45.8Very low43.2Very low146 Ų146115.6 Ų115.668%0.68259%0.594SS**Hα-helixtrans-68.7-30.3178.7-148.7173.5-160.200112.9Y65 V73Y65-E69 PolarHBondContact O-N 3.48Å; E69-V73 VanDerWaalsContact O-CG2 3.29Å; E69-V73 WeakPolarHBondContact O-CG2 3.21Å; E69-V73 PolarHBondContact O-N 2.86Å
70K44.5Very low44Very low158 Ų158116 Ų11669%0.68760%0.596SS**Hα-helixtrans-80.6-26.5173.1-85.8-175.3175.7-177.20114M67 Q68 H74M67-K70 PolarHBondContact O-N 2.92Å; Q68-K70 VanDerWaalsContact C-N 3.34Å; Q68-K70 PolarHBondContact O-N 3.36Å; K70-H74 PolarHBondContact O-N 3.02Å
71I46.3Very low44.7Very low78 Ų78120.1 Ų120.140%0.461%0.608SS.*Hα-helixtrans-73.7-34.6172-70.4167.7000110.1M67 Q68 R75M67-I71 VanDerWaalsContact O-CG1 3.27Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 2.84Å; Q68-I71 PolarHBondContact O-N 2.85Å; I71-R75 WeakPolarHBondContact O-CB 3.18Å; I71-R75 PolarHBondContact O-N 3.04Å
72D44.5Very low45.2Very low66 Ų66116.3 Ų116.335%0.35359%0.592SS.*Hα-helixtrans-81.2-26.5-178.5-65.6-34.3000113.6Q68 R75 S76Q68-D72 PolarHBondContact NE2-OD1 2.94Å; Q68-D72 PolarHBondContact NE2-OD2 3.38Å; Q68-D72 PolarHBondContact O-N 3.37Å; Q68-D72 VanDerWaalsContact O-OD2 3.12Å; D72-R75 IonicContact OD1-NH1 3.27Å; D72-R75 PolarHBondContact OD1-NH1 2.64Å; D72-R75 VanDerWaalsContact OD1-NH1 3.14Å; D72-S76 WeakPolarHBondContact O-CB 3.43Å; D72-S76 PolarHBondContact O-N 3.11Å; D72-S76 VanDerWaalsContact O-N 3.11Å; D72-S76 PolarHBondContact O-OG 2.96Å
73V47.6Very low46Very low97 Ų97109.6 Ų109.659%0.58857%0.572SS**Hα-helixtrans-75.8-33171.4172.90000112.3E69 A77E69-V73 VanDerWaalsContact O-CG2 3.29Å; E69-V73 WeakPolarHBondContact O-CG2 3.21Å; E69-V73 PolarHBondContact O-N 2.86Å; V73-A77 PolarHBondContact O-N 3.16Å
74H39.8Very low46.6Very low142 Ų142114.3 Ų114.366%0.65759%0.588SS**Hα-helixtrans-87.4-18.7173.1-79.2-68.4000114.4K70K70-H74 PolarHBondContact O-N 3.02Å
75R44Very low46.9Very low135 Ų135116.4 Ų116.451%0.50959%0.59SS.*Hα-helixtrans-75.4-35.3169-175.3178.5-73.2145.9-8.8111.5I71 D72I71-R75 WeakPolarHBondContact O-CB 3.18Å; I71-R75 PolarHBondContact O-N 3.04Å; D72-R75 IonicContact OD1-NH1 3.27Å; D72-R75 PolarHBondContact OD1-NH1 2.64Å; D72-R75 VanDerWaalsContact OD1-NH1 3.14Å
76S42.9Very low47.6Very low83 Ų83112.3 Ų112.358%0.5858%0.577SS**Hα-helixtrans-73.3-31.5175.4-700000114D72 A78D72-S76 WeakPolarHBondContact O-CB 3.43Å; D72-S76 PolarHBondContact O-N 3.11Å; D72-S76 VanDerWaalsContact O-N 3.11Å; D72-S76 PolarHBondContact O-OG 2.96Å; S76-A78 VanDerWaalsContact C-N 3.35Å
77A41.9Very low48.2Very low78 Ų78115.6 Ų115.665%0.64558%0.579SS**THydrogen-bonded Turntrans-81-11.6-179.900000114.2V73V73-A77 PolarHBondContact O-N 3.16Å
78A39.1Very low48.8Very low81 Ų81113.5 Ų113.567%0.66958%0.576SS**THydrogen-bonded Turntrans-97-5177.100000113.5S76S76-A78 VanDerWaalsContact C-N 3.35Å
79E46.9Very low50.2Low141 Ų141114 Ų11466%0.65958%0.58SS**SBendtrans-99.6-6.5178.5-70.1-175.4178.600113.5
80E54.6Low51.2Low175 Ų175114 Ų11482%0.81858%0.575SS**SBendtrans-106.630.1179.9-75.1-161.2157.400115
81E56.2Low52.3Low189 Ų189112 Ų11288%0.88357%0.568SS**  trans-149.749.8159.7-137.4-174.7-17400113.7D83E81-D83 PolarHBondContact O-N 3.48Å
82M52.8Low53.7Low74 Ų74115.5 Ų115.537%0.36558%0.577SS.*  trans-88.8103.1161.4-148.7177.765.700108.1E84 E86 K87 Y90M82-E84 PolarHBondContact O-N 3.31Å; M82-E86 HydrophobicContact CE-CB 4.34Å; M82-E86 HydrophobicContact CG-CB 3.87Å; M82-E86 WeakPolarHBondContact CG-OE2 3.41Å; M82-E86 HydrophobicContact SD-CB 4.33Å; M82-K87 HydrophobicContact CE-CB 4.42Å; M82-K87 HydrophobicContact CE-CG 3.48Å; M82-K87 VanDerWaalsContact CE-CG 3.48Å; M82-Y90 HydrophobicContact CE-CD2 4.44Å
83D58.3Low55.2Low83 Ų83116.6 Ų116.644%0.44458%0.582SS.*  trans-36.9127.1178.1-171.3-38.9000108.9E81 K85 E86E81-D83 PolarHBondContact O-N 3.48Å; D83-K85 CarbonylContact O-C 3.45Å; D83-K85 PolarHBondContact O-N 3Å; D83-K85 WeakPolarHBondContact OD1-CB 3.44Å; D83-K85 WeakPolarHBondContact OD1-CG 3.12Å; D83-K85 PolarHBondContact OD1-N 3.47Å; D83-K85 IonicContact OD1-NZ 3.14Å; D83-K85 PolarHBondContact OD1-NZ 3.37Å; D83-K85 IonicContact OD2-NZ 2.81Å; D83-K85 PolarHBondContact OD2-NZ 2.87Å; D83-E86 PolarHBondContact O-N 3.21Å
84E55.3Low56.3Low168 Ų168118.3 Ų118.379%0.78558%0.584SS**Hα-helixtrans-50.1-20.6-178.2-87.1167.9133.500113.4M82 C88M82-E84 PolarHBondContact O-N 3.31Å; E84-C88 WeakPolarHBondContact O-CB 3.43Å; E84-C88 PolarHBondContact O-N 2.95Å; E84-C88 VanDerWaalsContact O-N 3.12Å
85K50.4Low57.9Low127 Ų127114.1 Ų114.155%0.55257%0.568SS**Hα-helixtrans-63.7-40170-63.9-174.1-146.478.40113.9D83 I89D83-K85 CarbonylContact O-C 3.45Å; D83-K85 PolarHBondContact O-N 3Å; D83-K85 WeakPolarHBondContact OD1-CB 3.44Å; D83-K85 WeakPolarHBondContact OD1-CG 3.12Å; D83-K85 PolarHBondContact OD1-N 3.47Å; D83-K85 IonicContact OD1-NZ 3.14Å; D83-K85 PolarHBondContact OD1-NZ 3.37Å; D83-K85 IonicContact OD2-NZ 2.81Å; D83-K85 PolarHBondContact OD2-NZ 2.87Å; K85-I89 WeakPolarHBondContact O-CD1 3.5Å; K85-I89 VanDerWaalsContact O-CG1 3.24Å; K85-I89 WeakPolarHBondContact O-CG1 3.35Å; K85-I89 PolarHBondContact O-N 3.26Å; K85-I89 VanDerWaalsContact O-N 3.16Å
86E57.4Low59.4Low93 Ų93110.1 Ų110.144%0.43556%0.559SS.*Hα-helixtrans-71.1-43.2176.2-73-161.214600111M82 D83 C88 I89 Y90M82-E86 HydrophobicContact CE-CB 4.34Å; M82-E86 HydrophobicContact CG-CB 3.87Å; M82-E86 WeakPolarHBondContact CG-OE2 3.41Å; M82-E86 HydrophobicContact SD-CB 4.33Å; D83-E86 PolarHBondContact O-N 3.21Å; E86-C88 VanDerWaalsContact C-N 3.26Å; E86-C88 PolarHBondContact O-N 3.46Å; E86-I89 PolarHBondContact O-N 3.03Å; E86-I89 VanDerWaalsContact O-N 3.08Å; E86-Y90 HydrophobicContact CB-CD2 4.35Å; E86-Y90 HydrophobicContact CB-CE2 4.45Å; E86-Y90 WeakPolarHBondContact O-CD2 3.48Å; E86-Y90 PolarHBondContact O-N 3.48Å
87K57.7Low60.8Low110 Ų110109.2 Ų109.248%0.47855%0.553SS.*Hα-helixtrans-55.9-41.2174.4-68.4179.2-177.2176.20111.8M82 Q91M82-K87 HydrophobicContact CE-CB 4.42Å; M82-K87 HydrophobicContact CE-CG 3.48Å; M82-K87 VanDerWaalsContact CE-CG 3.48Å; K87-Q91 WeakPolarHBondContact O-CB 3.46Å; K87-Q91 PolarHBondContact O-N 3.38Å
88C56.5Low62.2Low76 Ų76112 Ų11251%0.51455%0.547SS..Hα-helixtrans-67.7-38.4176.9-173.70000113.3E84 E86 Y92E84-C88 WeakPolarHBondContact O-CB 3.43Å; E84-C88 PolarHBondContact O-N 2.95Å; E84-C88 VanDerWaalsContact O-N 3.12Å; E86-C88 VanDerWaalsContact C-N 3.26Å; E86-C88 PolarHBondContact O-N 3.46Å; C88-Y92 VanDerWaalsContact O-CB 3.3Å; C88-Y92 WeakPolarHBondContact O-CB 3.17Å; C88-Y92 PolarHBondContact O-N 3.48Å
89I72.3Confident63.4Low95 Ų95115.4 Ų115.449%0.48754%0.544SS..Hα-helixtrans-69.6-46.8178.4-69.5165.2000110.4K85 E86 Y92 I93K85-I89 WeakPolarHBondContact O-CD1 3.5Å; K85-I89 VanDerWaalsContact O-CG1 3.24Å; K85-I89 WeakPolarHBondContact O-CG1 3.35Å; K85-I89 PolarHBondContact O-N 3.26Å; K85-I89 VanDerWaalsContact O-N 3.16Å; E86-I89 PolarHBondContact O-N 3.03Å; E86-I89 VanDerWaalsContact O-N 3.08Å; I89-Y92 PolarHBondContact O-N 3.31Å; I89-I93 HydrophobicContact CG2-CD1 3.6Å; I89-I93 HydrophobicContact CG2-CG1 4.34Å; I89-I93 WeakPolarHBondContact O-CB 3.47Å; I89-I93 VanDerWaalsContact O-CG1 3.26Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.35Å
90Y66.4Low64.3Low144 Ų144113.2 Ų113.257%0.56554%0.536SS*.Hα-helixtrans-63.7-41.5177.3-80.9-74.2000111.7M82 E86 Y92 I93 H94M82-Y90 HydrophobicContact CE-CD2 4.44Å; E86-Y90 HydrophobicContact CB-CD2 4.35Å; E86-Y90 HydrophobicContact CB-CE2 4.45Å; E86-Y90 WeakPolarHBondContact O-CD2 3.48Å; E86-Y90 PolarHBondContact O-N 3.48Å; Y90-Y92 PolarHBondContact O-N 2.95Å; Y90-I93 PolarHBondContact O-N 3.12Å; Y90-H94 WeakPolarHBondContact O-CB 3.45Å; Y90-H94 PolarHBondContact O-N 3.35Å
91Q68.3Low64.7Low116 Ų116108.6 Ų108.654%0.54253%0.528SS..Hα-helixtrans-62.5-43.5175.1-17261.358.400111.8K87 T95K87-Q91 WeakPolarHBondContact O-CB 3.46Å; K87-Q91 PolarHBondContact O-N 3.38Å; Q91-T95 PolarHBondContact NE2-OG1 2.92Å; Q91-T95 VanDerWaalsContact O-CB 3.28Å; Q91-T95 WeakPolarHBondContact O-CB 3.26Å; Q91-T95 PolarHBondContact O-N 3.04Å; Q91-T95 PolarHBondContact O-OG1 2.88Å
92Y76Confident65Low152 Ų152105.5 Ų105.560%0.59651%0.513SS*.Hα-helixtrans-65-45.1177.4177.6-104.3000112.3C88 I89 Y90 T95 V96C88-Y92 VanDerWaalsContact O-CB 3.3Å; C88-Y92 WeakPolarHBondContact O-CB 3.17Å; C88-Y92 PolarHBondContact O-N 3.48Å; I89-Y92 PolarHBondContact O-N 3.31Å; Y90-Y92 PolarHBondContact O-N 2.95Å; Y92-T95 PolarHBondContact O-N 3.48Å; Y92-V96 HydrophobicContact CD1-CG2 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.19Å; Y92-V96 HydrophobicContact CE1-CG2 4.13Å; Y92-V96 HydrophobicContact CE2-CG2 3.81Å; Y92-V96 WeakPolarHBondContact O-CB 3.38Å; Y92-V96 VanDerWaalsContact O-CG2 3.23Å; Y92-V96 WeakPolarHBondContact O-CG2 3.35Å; Y92-V96 PolarHBondContact O-N 2.97Å
93I74.9Confident65.1Low89 Ų89104 Ų10446%0.45651%0.51SS..Hα-helixtrans-64.4-44.6178.2-68.7171.2000110.2I89 Y90 T95 V96 S97I89-I93 HydrophobicContact CG2-CD1 3.6Å; I89-I93 HydrophobicContact CG2-CG1 4.34Å; I89-I93 WeakPolarHBondContact O-CB 3.47Å; I89-I93 VanDerWaalsContact O-CG1 3.26Å; I89-I93 WeakPolarHBondContact O-CG1 3.48Å; I89-I93 PolarHBondContact O-N 3.35Å; Y90-I93 PolarHBondContact O-N 3.12Å; I93-T95 PolarHBondContact O-N 3.39Å; I93-V96 PolarHBondContact O-N 2.97Å; I93-S97 VanDerWaalsContact O-CB 3.31Å; I93-S97 WeakPolarHBondContact O-CB 3.4Å; I93-S97 PolarHBondContact O-N 3.43Å; I93-S97 PolarHBondContact O-OG 3.05Å; I93-S97 VanDerWaalsContact O-OG 3.06Å
94H70.8Confident65.2Low133 Ų133105.3 Ų105.362%0.61652%0.523SS*.Hα-helixtrans-64.1-43.2179.5-168.1-129.7000111.8Y90 S97 Y98Y90-H94 WeakPolarHBondContact O-CB 3.45Å; Y90-H94 PolarHBondContact O-N 3.35Å; H94-S97 PolarHBondContact O-N 2.99Å; H94-Y98 WeakPolarHBondContact O-CB 3.32Å; H94-Y98 PolarHBondContact O-N 3.41Å
95T72.5Confident65.4Low54 Ų54107.2 Ų107.233%0.33152%0.523SS..Hα-helixtrans-63.7-45.9175.4-63.20000111.8Q91 Y92 I93 Y98 Y99Q91-T95 PolarHBondContact NE2-OG1 2.92Å; Q91-T95 VanDerWaalsContact O-CB 3.28Å; Q91-T95 WeakPolarHBondContact O-CB 3.26Å; Q91-T95 PolarHBondContact O-N 3.04Å; Q91-T95 PolarHBondContact O-OG1 2.88Å; Y92-T95 PolarHBondContact O-N 3.48Å; I93-T95 PolarHBondContact O-N 3.39Å; T95-Y98 PolarHBondContact O-N 2.89Å; T95-Y99 HydrophobicContact CG2-CD2 3.69Å; T95-Y99 HydrophobicContact CG2-CE2 3.51Å; T95-Y99 WeakPolarHBondContact O-CD2 3.36Å; T95-Y99 PolarHBondContact O-N 2.98Å
96V75.6Confident65.7Low51 Ų51106 Ų10631%0.30952%0.518SS..Hα-helixtrans-65.5-42.1178.6171.40000111.5Y92 I93 Y98 Y99 L100Y92-V96 HydrophobicContact CD1-CG2 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.19Å; Y92-V96 HydrophobicContact CE1-CG2 4.13Å; Y92-V96 HydrophobicContact CE2-CG2 3.81Å; Y92-V96 WeakPolarHBondContact O-CB 3.38Å; Y92-V96 VanDerWaalsContact O-CG2 3.23Å; Y92-V96 WeakPolarHBondContact O-CG2 3.35Å; Y92-V96 PolarHBondContact O-N 2.97Å; I93-V96 PolarHBondContact O-N 2.97Å; V96-Y98 PolarHBondContact O-N 2.83Å; V96-Y99 PolarHBondContact O-N 3.39Å; V96-L100 HydrophobicContact CG1-CD1 3.7Å; V96-L100 HydrophobicContact CG1-CG 4.25Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.43Å; V96-L100 PolarHBondContact O-N 3.25Å
97S72.9Confident65.8Low65 Ų65107.9 Ų107.946%0.45553%0.526SS..Hα-helixtrans-62.1-41.4175.5-690000112.1I93 H94 L100 A101I93-S97 VanDerWaalsContact O-CB 3.31Å; I93-S97 WeakPolarHBondContact O-CB 3.4Å; I93-S97 PolarHBondContact O-N 3.43Å; I93-S97 PolarHBondContact O-OG 3.05Å; I93-S97 VanDerWaalsContact O-OG 3.06Å; H94-S97 PolarHBondContact O-N 2.99Å; S97-L100 PolarHBondContact O-N 3.38Å; S97-A101 VanDerWaalsContact O-CB 3.3Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.74Å
98Y71.8Confident65.8Low135 Ų135107.4 Ų107.453%0.52953%0.526SS..Hα-helixtrans-61.5-46.6175.5179.9-97.9000112H94 T95 V96 A101 H102H94-Y98 WeakPolarHBondContact O-CB 3.32Å; H94-Y98 PolarHBondContact O-N 3.41Å; T95-Y98 PolarHBondContact O-N 2.89Å; V96-Y98 PolarHBondContact O-N 2.83Å; Y98-A101 PolarHBondContact O-N 2.95Å; Y98-H102 AromaticContact CD2-ND1 3.76Å; Y98-H102 AromaticContact CE2-ND1 3.84Å; Y98-H102 WeakPolarHBondContact O-CB 3.45Å; Y98-H102 PolarHBondContact O-N 3.45Å; Y98-H102 PolarHBondContact O-ND1 3.27Å
99Y64.8Low66.2Low153 Ų153107.8 Ų107.860%0.652%0.522SS*.Hα-helixtrans-67.5-35.5178-80.8-68.3000113.4T95 V96 S103T95-Y99 HydrophobicContact CG2-CD2 3.69Å; T95-Y99 HydrophobicContact CG2-CE2 3.51Å; T95-Y99 WeakPolarHBondContact O-CD2 3.36Å; T95-Y99 PolarHBondContact O-N 2.98Å; V96-Y99 PolarHBondContact O-N 3.39Å; Y99-S103 WeakPolarHBondContact O-CB 3.34Å; Y99-S103 PolarHBondContact O-N 2.83Å; Y99-S103 VanDerWaalsContact O-N 3.15Å
100L65.6Low65.5Low96 Ų96105.8 Ų105.850%0.50352%0.516SS..Hα-helixtrans-69.6-34.7175.3-73.4170.8000112.1V96 S97 F106V96-L100 HydrophobicContact CG1-CD1 3.7Å; V96-L100 HydrophobicContact CG1-CG 4.25Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.43Å; V96-L100 PolarHBondContact O-N 3.25Å; S97-L100 PolarHBondContact O-N 3.38Å; L100-F106 HydrophobicContact CD2-CD1 3.55Å; L100-F106 HydrophobicContact CD2-CE1 3.5Å; L100-F106 HydrophobicContact CD2-CG 4.21Å; L100-F106 HydrophobicContact CD2-CZ 4.14Å
101A63.2Low65.3Low77 Ų77102.3 Ų102.364%0.63651%0.506SS*.Hα-helixtrans-80.7-28.6179.300000113.7S97 Y98S97-A101 VanDerWaalsContact O-CB 3.3Å; S97-A101 WeakPolarHBondContact O-CB 3.39Å; S97-A101 PolarHBondContact O-N 2.74Å; Y98-A101 PolarHBondContact O-N 2.95Å
102H60.7Low64.9Low125 Ų125101 Ų10158%0.57950%0.5SS*.Hα-helixtrans-114.43.1-171.3-67.780.4000115.2Y98 P104Y98-H102 AromaticContact CD2-ND1 3.76Å; Y98-H102 AromaticContact CE2-ND1 3.84Å; Y98-H102 WeakPolarHBondContact O-CB 3.45Å; Y98-H102 PolarHBondContact O-N 3.45Å; Y98-H102 PolarHBondContact O-ND1 3.27Å; H102-P104 WeakPolarHBondContact O-CD 3.31Å
103S57Low64.1Low42 Ų4299.2 Ų99.229%0.29450%0.5SS..  trans-98.9101.9176.4-168.20000111.7Y99 R105 F106Y99-S103 WeakPolarHBondContact O-CB 3.34Å; Y99-S103 PolarHBondContact O-N 2.83Å; Y99-S103 VanDerWaalsContact O-N 3.15Å; S103-R105 PolarHBondContact O-N 2.89Å; S103-F106 PolarHBondContact O-N 3.42Å
104P58.7Low63.5Low111 Ų111101.6 Ų101.672%0.72151%0.512SS*.Hα-helixtrans-61.2-18.4178.121.8-31.8000113.3H102H102-P104 WeakPolarHBondContact O-CD 3.31Å
105R60Low63Low207 Ų20799.9 Ų99.978%0.78151%0.512SS*.Hα-helixtrans-73.7-31174.8-76.7-94.8166.5102.2-5.3113.1S103 I109S103-R105 PolarHBondContact O-N 2.89Å; R105-I109 WeakPolarHBondContact O-CG1 3.43Å; R105-I109 PolarHBondContact O-N 2.98Å
106F57.4Low62.1Low103 Ų103103.9 Ų103.945%0.45253%0.526SS..Hα-helixtrans-78.6-35.4-177.9-138.9-87.1000111.5L100 S103 Q108 I109 C110L100-F106 HydrophobicContact CD2-CD1 3.55Å; L100-F106 HydrophobicContact CD2-CE1 3.5Å; L100-F106 HydrophobicContact CD2-CG 4.21Å; L100-F106 HydrophobicContact CD2-CZ 4.14Å; S103-F106 PolarHBondContact O-N 3.42Å; F106-Q108 VanDerWaalsContact C-N 3.28Å; F106-Q108 PolarHBondContact O-N 3.25Å; F106-I109 PolarHBondContact O-N 3.49Å; F106-C110 PolarHBondContact O-N 3.06Å; F106-C110 PolarHBondContact O-SG 2.89Å; F106-C110 VanDerWaalsContact O-SG 3.35Å
107H58.4Low60.7Low132 Ų132104.5 Ų104.561%0.61154%0.544SS*.Hα-helixtrans-61.9-37.9172.7-154.8-96.3000111.5C110 I111H107-C110 PolarHBondContact O-N 3.36Å; H107-I111 WeakPolarHBondContact ND1-CD1 3.22Å; H107-I111 VanDerWaalsContact O-CG1 3.3Å; H107-I111 WeakPolarHBondContact O-CG1 3.5Å; H107-I111 PolarHBondContact O-N 3.08Å
108Q59Low59.8Low99 Ų99108.1 Ų108.146%0.46356%0.558SS.*Hα-helixtrans-64.2-43.8176.2-166.463.333.600112.5F106 C110 I111 E112F106-Q108 VanDerWaalsContact C-N 3.28Å; F106-Q108 PolarHBondContact O-N 3.25Å; Q108-C110 VanDerWaalsContact C-N 3.35Å; Q108-C110 PolarHBondContact O-N 2.95Å; Q108-I111 PolarHBondContact O-N 3.38Å; Q108-E112 WeakPolarHBondContact O-CB 3.41Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.5Å
109I64.4Low58.5Low84 Ų84108.7 Ų108.743%0.43157%0.57SS.*Hα-helixtrans-65.1-39.1177.2-67.2166.2000111R105 F106 E112 L113R105-I109 WeakPolarHBondContact O-CG1 3.43Å; R105-I109 PolarHBondContact O-N 2.98Å; F106-I109 PolarHBondContact O-N 3.49Å; I109-E112 PolarHBondContact O-N 3.09Å; I109-L113 HydrophobicContact CG2-CD1 4.03Å; I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.33Å; I109-L113 PolarHBondContact O-N 2.9Å
110C57.3Low57.8Low54 Ų54109.4 Ų109.437%0.36558%0.584SS.*Hα-helixtrans-66.5-40.5175.7-69.30000112.1F106 H107 Q108 L113 I114F106-C110 PolarHBondContact O-N 3.06Å; F106-C110 PolarHBondContact O-SG 2.89Å; F106-C110 VanDerWaalsContact O-SG 3.35Å; H107-C110 PolarHBondContact O-N 3.36Å; Q108-C110 VanDerWaalsContact C-N 3.35Å; Q108-C110 PolarHBondContact O-N 2.95Å; C110-L113 PolarHBondContact O-N 3.17Å; C110-I114 WeakPolarHBondContact O-CD1 3.44Å; C110-I114 WeakPolarHBondContact O-CG1 3.38Å; C110-I114 PolarHBondContact O-N 3.12Å
111I63Low56.9Low71 Ų71110.4 Ų110.436%0.36460%0.597SS.*Hα-helixtrans-65.1-40.9174.9-70.1171.7000111.1H107 Q108 I114 T115H107-I111 WeakPolarHBondContact ND1-CD1 3.22Å; H107-I111 VanDerWaalsContact O-CG1 3.3Å; H107-I111 WeakPolarHBondContact O-CG1 3.5Å; H107-I111 PolarHBondContact O-N 3.08Å; Q108-I111 PolarHBondContact O-N 3.38Å; I111-I114 PolarHBondContact O-N 3.21Å; I111-T115 PolarHBondContact O-N 3.31Å; I111-T115 PolarHBondContact O-OG1 3.42Å
112E59Low55.8Low87 Ų87113 Ų11341%0.40761%0.608SS.*Hα-helixtrans-64.2-38.2176.2-79.6174.2-167.800112.6Q108 I109 T115 Q116Q108-E112 WeakPolarHBondContact O-CB 3.41Å; Q108-E112 WeakPolarHBondContact O-CG 3.49Å; Q108-E112 PolarHBondContact O-N 3.5Å; I109-E112 PolarHBondContact O-N 3.09Å; E112-T115 WeakPolarHBondContact CA-OG1 3.32Å; E112-T115 PolarHBondContact O-N 3.25Å; E112-T115 PolarHBondContact O-OG1 3.42Å; E112-Q116 WeakPolarHBondContact O-CB 3.36Å; E112-Q116 WeakPolarHBondContact O-CG 3.44Å; E112-Q116 PolarHBondContact O-N 3.36Å
113L60.2Low54.7Low116 Ų116117 Ų11761%0.60762%0.624SS**Hα-helixtrans-71.1-32.5175.8-72.2169.7000112.9I109 C110I109-L113 HydrophobicContact CG2-CD1 4.03Å; I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 VanDerWaalsContact O-CG 3.3Å; I109-L113 WeakPolarHBondContact O-CG 3.33Å; I109-L113 PolarHBondContact O-N 2.9Å; C110-L113 PolarHBondContact O-N 3.17Å
114I61.5Low53.8Low138 Ų138122.4 Ų122.471%0.70865%0.649SS**Hα-helixtrans-73-34.2175.6-67.6163.8000110.9C110 I111C110-I114 WeakPolarHBondContact O-CD1 3.44Å; C110-I114 WeakPolarHBondContact O-CG1 3.38Å; C110-I114 PolarHBondContact O-N 3.12Å; I111-I114 PolarHBondContact O-N 3.21Å
115T59.1Low52.6Low98 Ų98125.2 Ų125.260%0.60165%0.653SS**Hα-helixtrans-82.9-26.8179.242.70000114I111 E112 G117I111-T115 PolarHBondContact O-N 3.31Å; I111-T115 PolarHBondContact O-OG1 3.42Å; E112-T115 WeakPolarHBondContact CA-OG1 3.32Å; E112-T115 PolarHBondContact O-N 3.25Å; E112-T115 PolarHBondContact O-OG1 3.42Å; T115-G117 PolarHBondContact O-N 3.5Å
116Q54.1Low51.2Low137 Ų137125.3 Ų125.364%0.6466%0.659SS**G310 helixtrans-73.1-7.8173.4-7617742.200114.1E112 N118E112-Q116 WeakPolarHBondContact O-CB 3.36Å; E112-Q116 WeakPolarHBondContact O-CG 3.44Å; E112-Q116 PolarHBondContact O-N 3.36Å; Q116-N118 PolarHBondContact O-N 3.4Å; Q116-N118 VanDerWaalsContact O-N 3.07Å
117G46.7Very low49.9Very low65 Ų65127 Ų12767%0.6768%0.681SS**G310 helixtrans-67.3-0.8178.400000115.9T115T115-G117 PolarHBondContact O-N 3.5Å
118N53.3Low48.6Very low140 Ų140124 Ų12475%0.74969%0.687SS**G310 helixtrans-135.58.3-173.1-130.42000118.4Q116Q116-N118 PolarHBondContact O-N 3.4Å; Q116-N118 VanDerWaalsContact O-N 3.07Å
119N45.5Very low48.2Very low147 Ų147126 Ų12679%0.78671%0.708SS**  trans-151.3103.1169.2-75.6-62.3000111.6
120N50.7Low46.7Very low169 Ų169125.2 Ų125.290%0.90472%0.721SS**  trans-68.1137.3159.2-81.4-54.1000108.9
121P45.3Very low45.6Very low117 Ų117128.2 Ų128.276%0.7674%0.743SS**  -132.4142.7120.126.2-10.3000112.4F123P121-F123 PolarHBondContact O-N 3.35Å
122C41.8Very low44.6Very low130 Ų130130.4 Ų130.488%0.87876%0.764SS**  trans-50.3126.7165.7-70.50000110.6
123F36.5Very low44.5Very low210 Ų210131.2 Ų131.292%0.92178%0.777SS**  trans-11780.3162-163.9-99.2000108.3P121P121-F123 PolarHBondContact O-N 3.35Å
124L38.1Very low43.3Very low155 Ų155132.9 Ų132.981%0.81279%0.787SS**  trans-124.5127.8162.8-169.569.7000108.1
125E33.9Very low41.9Very low170 Ų170132.7 Ų132.779%0.79480%0.796SS**  trans81.8119.1165.6-84.1-176.2163.900121
126K30.9Very low41Very low210 Ų210135 Ų13591%0.91381%0.805SS**  -150.1102.6129.7-104.6-178.3-176.8-177.90110.1
127C28.7Very low40.6Very low137 Ų137133.4 Ų133.493%0.92681%0.809SS**  trans-144.6114.3149.4-98.20000109
128G32.7Very low40.1Very low71 Ų71133.7 Ų133.773%0.73281%0.812SS**  trans169.1164.2165.600000109.5
129P49.3Very low39.9Very low139 Ų139132.4 Ų132.490%0.90382%0.82SS**  cis-136.5171.5-2.837.4-18.7000114.4
130G32.8Very low40Very low69 Ų69134.5 Ų134.571%0.71182%0.823SS**  trans-156.2102.6163.400000111.4
131S35Very low39.6Very low117 Ų117131.6 Ų131.682%0.81882%0.816SS**  trans20.6133.6152.256.40000119.1
132S41Very low39.7Very low116 Ų116137.9 Ų137.981%0.81182%0.824SS**  cis-174.6-176.336.6-130.10000108.9
133P57.4Low39.9Very low105 Ų105136.6 Ų136.668%0.68282%0.817SS**  trans-113.7-170.8-140.735.1-13.4000115.5
134D34Very low40.8Very low150 Ų150137.7 Ų137.780%0.80282%0.815SS**  trans91.699.3166.2-62.3-28.4000119
135C33.9Very low41.9Very low134 Ų134138.1 Ų138.191%0.90582%0.817SS**  -171145.499.947.10000112.3
136D39.4Very low43.2Very low147 Ų147141.4 Ų141.479%0.78682%0.822SS**  trans-74.7163.2-170.4174.447.5000114.6
137S44.8Very low45.1Very low104 Ų104142.8 Ų142.873%0.72782%0.821SS**  trans79.4109.7156.4-77.70000120.4
138G36.8Very low46.8Very low71 Ų71145.3 Ų145.373%0.73282%0.817SS**  trans151.785.115100000115.3K140G138-K140 PolarHBondContact O-N 3.26Å
139A49.7Very low48.6Very low112 Ų112147.5 Ų147.593%0.92682%0.818SS**  trans-52.2102.7167.500000111.5
140K46.6Very low50.1Low191 Ų191152.2 Ų152.283%0.8382%0.818SS**  trans-126.1113.7162.8-78.9179.8-178.8170.40109.1G138 R142G138-K140 PolarHBondContact O-N 3.26Å; K140-R142 PolarHBondContact O-N 3.15Å
141S43.3Very low52.5Low109 Ų109154.7 Ų154.776%0.76282%0.819SS**  trans-19.5122.7168.657.50000113.3S143S141-S143 VanDerWaalsContact C-N 3.28Å; S141-S143 PolarHBondContact O-N 3.39Å
142R46.8Very low55.2Low249 Ų249156.4 Ų156.494%0.9482%0.818SS**  trans-51.697.1164.5-61.1-174-160.4-179.85.3107.8K140 R144K140-R142 PolarHBondContact O-N 3.15Å; R142-R144 PolarHBondContact O-N 3.04Å
143S45.7Very low57.7Low102 Ų102154 Ų15471%0.71379%0.793SS**  trans-62.5112.7178.673.20000106.2S141 L145S141-S143 VanDerWaalsContact C-N 3.28Å; S141-S143 PolarHBondContact O-N 3.39Å; S143-L145 PolarHBondContact O-N 3.29Å
144R56.8Low59.6Low233 Ų233151.4 Ų151.488%0.87978%0.778SS**  trans-53.3108.6167.4-77.6178.4-79.9-137.8-3.3105.8R142 R146R142-R144 PolarHBondContact O-N 3.04Å; R144-R146 PolarHBondContact O-N 2.97Å
145L61.1Low62.6Low165 Ų165151.3 Ų151.386%0.86477%0.772SS**  trans-39101.7-179.8-153.779.8000108.6S143 R147S143-L145 PolarHBondContact O-N 3.29Å; L145-R147 PolarHBondContact O-N 3.39Å
146R59.5Low65.5Low238 Ų238149.1 Ų149.190%0.89876%0.758SS**  trans-63.7111.9-174.3-74.5-164.1128.6-126.1-1.1107.4R144 K148R144-R146 PolarHBondContact O-N 2.97Å; R146-K148 PolarHBondContact O-N 3.47Å
147R71.2Confident68.3Low239 Ų239143.8 Ų143.890%0.90273%0.729SS**PPolyproline II helixtrans-55.6133.2175.2-72.7-178.2165.1158.6-3.7108.3L145L145-R147 PolarHBondContact O-N 3.39Å
148K64Low70.8Confident191 Ų191140.3 Ų140.383%0.8370%0.703SS**PPolyproline II helixtrans-53.4133.1177-87.581163.9-171.30108.9R146 R150R146-K148 PolarHBondContact O-N 3.47Å; K148-R150 PolarHBondContact O-N 3.23Å
149P70.6Confident73.7Confident116 Ų116139.9 Ų139.975%0.75369%0.689SS**PPolyproline II helixtrans-57.4138.9176.221.4-29.6000110V151P149-V151 PolarHBondContact O-N 2.89Å
150R82.6Confident76Confident238 Ų238136.7 Ų136.790%0.89866%0.655SS**PPolyproline II helixtrans-68.5121.8176.2-69.7-177.2-177.4174.50.8108.2K148K148-R150 PolarHBondContact O-N 3.23Å
151V81.8Confident78.5Confident121 Ų121127.6 Ų127.673%0.73362%0.615SS**PPolyproline II helixtrans-84.7127.4172.4-1780000108P149P149-V151 PolarHBondContact O-N 2.89Å
152L91.8Very high81.1Confident154 Ų154125.7 Ų125.781%0.80659%0.594SS**PPolyproline II helixtrans-93145.9174.6-61.3178.1000109.7
153F94.9Very high83.5Confident64 Ų64118.2 Ų118.228%0.28157%0.566SS.*PPolyproline II helixtrans-75.4146.2171.1-57.5-46000110.1Q157 V158 L185 Q189 W193F153-Q157 HydrophobicContact CB-CB 4.33Å; F153-V158 HydrophobicContact CB-CG2 3.9Å; F153-L185 HydrophobicContact CD1-CD1 4.21Å; F153-L185 HydrophobicContact CD1-CD2 3.79Å; F153-L185 HydrophobicContact CE1-CD1 4.16Å; F153-L185 HydrophobicContact CE1-CD2 3.74Å; F153-Q189 HydrophobicContact CE1-CB 4.33Å; F153-Q189 HydrophobicContact CE1-CG 4.44Å; F153-Q189 HydrophobicContact CZ-CB 4.08Å; F153-Q189 HydrophobicContact CZ-CG 4.39Å; F153-W193 AromaticContact CD2-CD1 3.7Å; F153-W193 HydrophobicContact CE2-CB 4.3Å; F153-W193 AromaticContact CE2-CD1 3.62Å; F153-W193 HydrophobicContact CE2-CG 4.32Å
154S96.4Very high86Confident52 Ų52116.8 Ų116.836%0.36455%0.545SS..PPolyproline II helixtrans-69.5159.1172.663.30000111.5S156 Q157 V158S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 3.48Å; S154-S156 PolarHBondContact OG-OG 3Å; S154-Q157 WeakPolarHBondContact O-CB 3.36Å; S154-Q157 PolarHBondContact O-N 3.17Å; S154-Q157 WeakPolarHBondContact OG-CG 3.32Å; S154-Q157 PolarHBondContact OG-N 3.37Å; S154-Q157 PolarHBondContact OG-OE1 3.38Å; S154-V158 WeakPolarHBondContact O-CG2 3.21Å; S154-V158 PolarHBondContact O-N 3.18Å
155Q96.3Very high87.9Confident148 Ų148106.1 Ų106.169%0.69251%0.505SS*.Hα-helixtrans-61-38-179.1-172.958.735.600112.7V158 S159Q155-V158 PolarHBondContact O-N 3.14Å; Q155-S159 WeakPolarHBondContact O-CB 3.5Å; Q155-S159 PolarHBondContact O-N 3.12Å
156S96.3Very high89.6Confident87 Ų87107.9 Ų107.961%0.60850%0.5SS*.Hα-helixtrans-63.4-41.9176.4550000111.8S154 S159 E160S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 3.48Å; S154-S156 PolarHBondContact OG-OG 3Å; S156-S159 PolarHBondContact O-N 3.19Å; S156-E160 PolarHBondContact O-N 3.06Å; S156-E160 VanDerWaalsContact O-N 3.1Å
157Q97.6Very high91.3Very high36 Ų36102.2 Ų102.217%0.16848%0.484CS..Hα-helixtrans-62.4-45.4174.7-72.3168-37.800111.5F153 S154 E160 L161 L183F153-Q157 HydrophobicContact CB-CB 4.33Å; S154-Q157 WeakPolarHBondContact O-CB 3.36Å; S154-Q157 PolarHBondContact O-N 3.17Å; S154-Q157 WeakPolarHBondContact OG-CG 3.32Å; S154-Q157 PolarHBondContact OG-N 3.37Å; S154-Q157 PolarHBondContact OG-OE1 3.38Å; Q157-E160 PolarHBondContact O-N 3.05Å; Q157-L161 WeakPolarHBondContact O-CB 3.2Å; Q157-L161 WeakPolarHBondContact O-CD1 3.39Å; Q157-L161 WeakPolarHBondContact O-CG 3.23Å; Q157-L161 PolarHBondContact O-N 3.46Å; Q157-L183 PolarHBondContact NE2-O 3.44Å
158V97.6Very high92.5Very high30 Ų3094 Ų9418%0.18246%0.456CS..Hα-helixtrans-62.6-46.1178.3176.80000111F153 S154 Q155 E160 L161 E162F153-V158 HydrophobicContact CB-CG2 3.9Å; S154-V158 WeakPolarHBondContact O-CG2 3.21Å; S154-V158 PolarHBondContact O-N 3.18Å; Q155-V158 PolarHBondContact O-N 3.14Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.27Å; V158-E162 HydrophobicContact CG1-CG 4.29Å; V158-E162 WeakPolarHBondContact O-CB 3.47Å; V158-E162 WeakPolarHBondContact O-CG 3.41Å; V158-E162 PolarHBondContact O-N 2.99Å
159S97.6Very high94Very high63 Ų6389.6 Ų89.644%0.44143%0.434SS..Hα-helixtrans-58.6-44-180-178.80000112.3Q155 S156 E162 R163Q155-S159 WeakPolarHBondContact O-CB 3.5Å; Q155-S159 PolarHBondContact O-N 3.12Å; S156-S159 PolarHBondContact O-N 3.19Å; S159-E162 PolarHBondContact O-N 2.79Å; S159-R163 WeakPolarHBondContact O-CB 3.24Å; S159-R163 PolarHBondContact O-N 3.2Å
160E98.1Very high95.3Very high44 Ų4490.1 Ų90.121%0.20642%0.422CS..Hα-helixtrans-71.4-37.5179.7-17656-150.700112.1S156 Q157 V158 E162 R163 R164 L183S156-E160 PolarHBondContact O-N 3.06Å; S156-E160 VanDerWaalsContact O-N 3.1Å; Q157-E160 PolarHBondContact O-N 3.05Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; E160-E162 VanDerWaalsContact C-N 3.32Å; E160-E162 PolarHBondContact O-N 2.67Å; E160-R163 VanDerWaalsContact CD-NE 3.33Å; E160-R163 PolarHBondContact O-N 3.4Å; E160-R163 IonicContact OE1-CZ 3.67Å; E160-R163 VanDerWaalsContact OE1-CZ 3.27Å; E160-R163 IonicContact OE1-NE 2.84Å; E160-R163 PolarHBondContact OE1-NE 3.04Å; E160-R163 VanDerWaalsContact OE1-NE 3.11Å; E160-R163 IonicContact OE1-NH2 3.65Å; E160-R163 PolarHBondContact OE1-NH2 2.82Å; E160-R163 IonicContact OE2-CZ 2.64Å; E160-R163 IonicContact OE2-NE 3.85Å; E160-R163 PolarHBondContact OE2-NE 2.75Å; E160-R163 IonicContact OE2-NH2 3.11Å; E160-R164 PolarHBondContact O-N 2.81Å; E160-L183 HydrophobicContact CB-CD1 4.38Å; E160-L183 HydrophobicContact CB-CD2 3.77Å; E160-L183 HydrophobicContact CG-CD1 4.27Å; E160-L183 HydrophobicContact CG-CD2 3.67Å; E160-L183 HydrophobicContact CG-CG 4.31Å
161L98.2Very high95.9Very high0 Ų080 Ų800%039%0.385CS..Hα-helixtrans-60.3-42.6171.2-72165000111.3Q157 V158 R164 F165 L179 L183 L185 V190 W193 F194Q157-L161 WeakPolarHBondContact O-CB 3.2Å; Q157-L161 WeakPolarHBondContact O-CD1 3.39Å; Q157-L161 WeakPolarHBondContact O-CG 3.23Å; Q157-L161 PolarHBondContact O-N 3.46Å; V158-L161 WeakPolarHBondContact O-CB 3.48Å; V158-L161 PolarHBondContact O-N 3.27Å; L161-R164 PolarHBondContact O-N 2.79Å; L161-F165 VanDerWaalsContact O-CB 3.26Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 2.96Å; L161-L179 HydrophobicContact CD2-CD2 3.97Å; L161-L183 HydrophobicContact CD1-CD1 4.44Å; L161-L183 HydrophobicContact CD2-CD1 3.72Å; L161-L183 HydrophobicContact CG-CD1 3.64Å; L161-L185 HydrophobicContact CD1-CD1 4.21Å; L161-V190 HydrophobicContact CD2-CG1 4.36Å; L161-V190 HydrophobicContact CD2-CG2 4.48Å; L161-W193 HydrophobicContact CB-CD2 3.94Å; L161-W193 HydrophobicContact CB-CE3 3.88Å; L161-W193 HydrophobicContact CB-CH2 3.68Å; L161-W193 HydrophobicContact CB-CZ2 3.71Å; L161-W193 HydrophobicContact CB-CZ3 3.77Å; L161-W193 HydrophobicContact CD1-CD2 3.85Å; L161-W193 HydrophobicContact CD1-CE3 4.47Å; L161-W193 HydrophobicContact CD1-CG 3.84Å; L161-W193 HydrophobicContact CD2-CD2 4.44Å; L161-W193 HydrophobicContact CD2-CE3 4.3Å; L161-W193 HydrophobicContact CG-CD2 4.29Å; L161-W193 HydrophobicContact CG-CE3 4.45Å; L161-F194 HydrophobicContact CD2-CE2 3.95Å
162E97.9Very high96.6Very high69 Ų6976.9 Ų76.932%0.32237%0.369SS..Hα-helixtrans-68-40.2176.6-73-176.6158.500112.6V158 S159 E160 F165 R166 W193 R197V158-E162 HydrophobicContact CG1-CG 4.29Å; V158-E162 WeakPolarHBondContact O-CB 3.47Å; V158-E162 WeakPolarHBondContact O-CG 3.41Å; V158-E162 PolarHBondContact O-N 2.99Å; S159-E162 PolarHBondContact O-N 2.79Å; E160-E162 VanDerWaalsContact C-N 3.32Å; E160-E162 PolarHBondContact O-N 2.67Å; E162-F165 PolarHBondContact O-N 3.16Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.72Å; E162-W193 HydrophobicContact CB-CH2 4.45Å; E162-W193 HydrophobicContact CG-CH2 3.69Å; E162-W193 HydrophobicContact CG-CZ2 3.72Å; E162-R197 IonicContact OE1-NH1 2.79Å
163R97.9Very high96.8Very high93 Ų9372.4 Ų72.435%0.35136%0.355SS..Hα-helixtrans-57.4-49.9173.2-170.9-175.776.490.9-2.9110.7S159 E160 R166S159-R163 WeakPolarHBondContact O-CB 3.24Å; S159-R163 PolarHBondContact O-N 3.2Å; E160-R163 VanDerWaalsContact CD-NE 3.33Å; E160-R163 PolarHBondContact O-N 3.4Å; E160-R163 IonicContact OE1-CZ 3.67Å; E160-R163 VanDerWaalsContact OE1-CZ 3.27Å; E160-R163 IonicContact OE1-NE 2.84Å; E160-R163 PolarHBondContact OE1-NE 3.04Å; E160-R163 VanDerWaalsContact OE1-NE 3.11Å; E160-R163 IonicContact OE1-NH2 3.65Å; E160-R163 PolarHBondContact OE1-NH2 2.82Å; E160-R163 IonicContact OE2-CZ 2.64Å; E160-R163 IonicContact OE2-NE 3.85Å; E160-R163 PolarHBondContact OE2-NE 2.75Å; E160-R163 IonicContact OE2-NH2 3.11Å; R163-R166 PolarHBondContact O-N 2.92Å
164R97.6Very high96.9Very high71 Ų7175.8 Ų75.827%0.26838%0.375SS..Hα-helixtrans-64.6-40.3177.3-168.564.258.1149.64.4112.2E160 L161 R166 Q167 Q168 L171 L179 F194E160-R164 PolarHBondContact O-N 2.81Å; L161-R164 PolarHBondContact O-N 2.79Å; R164-R166 VanDerWaalsContact C-N 3.3Å; R164-R166 PolarHBondContact O-N 3.01Å; R164-Q167 WeakPolarHBondContact O-CB 3.26Å; R164-Q167 PolarHBondContact O-N 2.71Å; R164-Q167 VanDerWaalsContact O-N 3.09Å; R164-Q168 PolarHBondContact O-N 3.02Å; R164-L171 HydrophobicContact CG-CD2 4.23Å; R164-L179 HydrophobicContact CB-CD2 4.27Å; R164-L179 HydrophobicContact CG-CD2 4.03Å; R164-F194 HydrophobicContact CB-CZ 4.34Å; R164-F194 HydrophobicContact CG-CZ 4.22Å
165F97.6Very high96.9Very high9 Ų976.9 Ų76.94%0.03937%0.374CS..Hα-helixtrans-63-34.9179.9-176.1-95.8000113.4L161 E162 Q167 Q168 R169 W193 F194 R197 R198L161-F165 VanDerWaalsContact O-CB 3.26Å; L161-F165 WeakPolarHBondContact O-CB 3.42Å; L161-F165 PolarHBondContact O-N 2.96Å; E162-F165 PolarHBondContact O-N 3.16Å; F165-Q167 VanDerWaalsContact C-N 3.28Å; F165-Q168 CarbonylContact O-C 3.52Å; F165-Q168 PolarHBondContact O-N 2.97Å; F165-R169 HydrophobicContact CE1-CG 4.39Å; F165-R169 HydrophobicContact CE2-CB 4.15Å; F165-R169 HydrophobicContact CE2-CG 4.39Å; F165-R169 HydrophobicContact CZ-CB 4.29Å; F165-R169 HydrophobicContact CZ-CG 4.12Å; F165-W193 HydrophobicContact CB-CH2 4.32Å; F165-W193 HydrophobicContact CB-CZ3 4.03Å; F165-W193 HydrophobicContact CD2-CZ3 4.34Å; F165-W193 HydrophobicContact CG-CZ3 4.34Å; F165-F194 HydrophobicContact CB-CE1 4.21Å; F165-F194 HydrophobicContact CB-CZ 4.33Å; F165-F194 AromaticContact CD2-CD1 3.75Å; F165-F194 HydrophobicContact CD2-CD1 3.75Å; F165-F194 AromaticContact CD2-CE1 3.78Å; F165-F194 HydrophobicContact CD2-CE1 3.78Å; F165-F194 HydrophobicContact CE2-CD1 4.37Å; F165-R197 HydrophobicContact CD1-CG 3.71Å; F165-R197 HydrophobicContact CD2-CB 4.26Å; F165-R197 HydrophobicContact CD2-CG 3.77Å; F165-R197 HydrophobicContact CE1-CG 3.61Å; F165-R197 HydrophobicContact CE2-CB 4.06Å; F165-R197 HydrophobicContact CE2-CG 3.69Å; F165-R197 HydrophobicContact CG-CG 3.79Å; F165-R197 HydrophobicContact CZ-CB 4.32Å; F165-R197 HydrophobicContact CZ-CG 3.6Å; F165-R198 HydrophobicContact CE2-CG 3.76Å; F165-R198 HydrophobicContact CZ-CG 4Å
166R95.6Very high97Very high202 Ų20272.7 Ų72.776%0.76235%0.352SS*.Hα-helixtrans-63.6-35.7173.6-76.7-175-73.7159.5-6.1112.1E162 R163 R164E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.72Å; R163-R166 PolarHBondContact O-N 2.92Å; R164-R166 VanDerWaalsContact C-N 3.3Å; R164-R166 PolarHBondContact O-N 3.01Å
167Q96.3Very high97.1Very high120 Ų12073.3 Ų73.356%0.56135%0.345SS*.Hα-helixtrans-75.3-42.8177.2-63171.5-16.200111.4R164 F165R164-Q167 WeakPolarHBondContact O-CB 3.26Å; R164-Q167 PolarHBondContact O-N 2.71Å; R164-Q167 VanDerWaalsContact O-N 3.09Å; F165-Q167 VanDerWaalsContact C-N 3.28Å
168Q95.6Very high97.1Very high66 Ų6676.8 Ų76.831%0.30836%0.361SS..  trans-148.9115.6-173.6-174177.9-14.800110.7R164 F165 Y170 L171 E175 F194R164-Q168 PolarHBondContact O-N 3.02Å; F165-Q168 CarbonylContact O-C 3.52Å; F165-Q168 PolarHBondContact O-N 2.97Å; Q168-Y170 VanDerWaalsContact C-N 3.3Å; Q168-Y170 WeakPolarHBondContact CG-O 3.37Å; Q168-Y170 PolarHBondContact NE2-O 3.07Å; Q168-Y170 PolarHBondContact O-N 2.76Å; Q168-L171 HydrophobicContact CB-CD2 4.37Å; Q168-L171 HydrophobicContact CG-CD2 4.2Å; Q168-E175 PolarHBondContact NE2-OE1 3Å; Q168-E175 PolarHBondContact NE2-OE2 3.15Å; Q168-E175 PolarHBondContact OE1-OE1 2.96Å; Q168-F194 WeakPolarHBondContact O-CE1 3.3Å
169R95.6Very high97.1Very high99 Ų9975.6 Ų75.637%0.37435%0.354SS..SBendtrans-76.6-17.4-176-61.2179.669.290.7-5.9113.7F165 R198 C201F165-R169 HydrophobicContact CE1-CG 4.39Å; F165-R169 HydrophobicContact CE2-CB 4.15Å; F165-R169 HydrophobicContact CE2-CG 4.39Å; F165-R169 HydrophobicContact CZ-CB 4.29Å; F165-R169 HydrophobicContact CZ-CG 4.12Å; R169-R198 WeakPolarHBondContact O-CD 3.28Å; R169-C201 PolarHBondContact NH2-SG 3.38Å
170Y97.2Very high97.2Very high126 Ų12672.9 Ų72.949%0.49434%0.335SS..SBendtrans-135116.5-176.7-66.1-95.4000109.9Q168 R198Q168-Y170 VanDerWaalsContact C-N 3.3Å; Q168-Y170 WeakPolarHBondContact CG-O 3.37Å; Q168-Y170 PolarHBondContact NE2-O 3.07Å; Q168-Y170 PolarHBondContact O-N 2.76Å; Y170-R198 VanDerWaalsContact CE1-CZ 3.42Å; Y170-R198 VanDerWaalsContact CZ-CD 3.47Å
171L96.2Very high97.2Very high25 Ų2576.8 Ų76.813%0.13135%0.353CS..  trans-96.6140.5178.3-62.3178.2000111.4R164 Q168 E175 R176 L179 V190 F194R164-L171 HydrophobicContact CG-CD2 4.23Å; Q168-L171 HydrophobicContact CB-CD2 4.37Å; Q168-L171 HydrophobicContact CG-CD2 4.2Å; L171-E175 HydrophobicContact CB-CB 4.32Å; L171-E175 HydrophobicContact CD2-CB 4.2Å; L171-R176 HydrophobicContact CB-CG 3.49Å; L171-R176 VanDerWaalsContact CB-CG 3.49Å; L171-R176 HydrophobicContact CD1-CG 3.89Å; L171-R176 HydrophobicContact CG-CG 4.37Å; L171-L179 HydrophobicContact CD1-CD2 3.83Å; L171-V190 HydrophobicContact CD1-CG1 4.16Å; L171-F194 HydrophobicContact CD1-CD1 4.2Å; L171-F194 HydrophobicContact CD1-CD2 4.12Å; L171-F194 HydrophobicContact CD1-CE1 3.67Å; L171-F194 HydrophobicContact CD1-CE2 3.59Å; L171-F194 HydrophobicContact CD1-CG 4.41Å; L171-F194 HydrophobicContact CD1-CZ 3.36Å; L171-F194 HydrophobicContact CD2-CE1 4.3Å; L171-F194 HydrophobicContact CD2-CZ 4.45Å; L171-F194 HydrophobicContact CG-CD1 4.08Å; L171-F194 HydrophobicContact CG-CE1 3.61Å; L171-F194 HydrophobicContact CG-CE2 4.44Å; L171-F194 HydrophobicContact CG-CZ 3.84Å
172S97.1Very high97.1Very high57 Ų5780.6 Ų80.640%0.39938%0.377SS..  trans-65.9176.6167.4690000111.6E175 R176S172-E175 VanDerWaalsContact CB-OE2 3.23Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.11Å; S172-E175 WeakPolarHBondContact OG-CG 3.43Å; S172-E175 PolarHBondContact OG-N 3.39Å; S172-E175 PolarHBondContact OG-OE2 3.42Å; S172-R176 VanDerWaalsContact O-CG 3.31Å; S172-R176 WeakPolarHBondContact O-CG 3.43Å; S172-R176 PolarHBondContact O-N 3.48Å; S172-R176 PolarHBondContact O-NE 3.07Å; S172-R176 VanDerWaalsContact O-NE 3.12Å
173A96Very high97.1Very high60 Ų6078.2 Ų78.250%0.49637%0.366SS..Hα-helixtrans-63.2-50.8177.600000111.7E175 R176 E177A173-E175 PolarHBondContact O-N 3.47Å; A173-R176 WeakPolarHBondContact O-CB 3.26Å; A173-R176 PolarHBondContact O-N 3.02Å; A173-E177 PolarHBondContact O-N 3.47Å
174L96.8Very high97.1Very high135 Ų13582.2 Ų82.271%0.70739%0.386SS*.Hα-helixtrans-63.9-44.1-176.5-17465.2000112.4R176 E177 H178L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3.18Å; L174-E177 PolarHBondContact O-N 2.84Å; L174-E177 VanDerWaalsContact O-N 3.12Å; L174-H178 PolarHBondContact O-N 3.11Å
175E96.6Very high97Very high75 Ų7580 Ų8035%0.3538%0.379SS..Hα-helixtrans-62.7-34.7178.8-67.6162.9146.600112.3Q168 L171 S172 A173 L179Q168-E175 PolarHBondContact NE2-OE1 3Å; Q168-E175 PolarHBondContact NE2-OE2 3.15Å; Q168-E175 PolarHBondContact OE1-OE1 2.96Å; L171-E175 HydrophobicContact CB-CB 4.32Å; L171-E175 HydrophobicContact CD2-CB 4.2Å; S172-E175 VanDerWaalsContact CB-OE2 3.23Å; S172-E175 WeakPolarHBondContact CB-OE2 3.36Å; S172-E175 PolarHBondContact N-OE2 3.11Å; S172-E175 WeakPolarHBondContact OG-CG 3.43Å; S172-E175 PolarHBondContact OG-N 3.39Å; S172-E175 PolarHBondContact OG-OE2 3.42Å; A173-E175 PolarHBondContact O-N 3.47Å; E175-L179 WeakPolarHBondContact O-CB 3.09Å; E175-L179 PolarHBondContact O-N 3.19Å
176R98.1Very high97Very high59 Ų5983.1 Ų83.122%0.22340%0.399CS..Hα-helixtrans-66.9-39175.1-75.8-176.2-71.7130.6-3.6111.9L171 S172 A173 L174 A180 V190L171-R176 HydrophobicContact CB-CG 3.49Å; L171-R176 VanDerWaalsContact CB-CG 3.49Å; L171-R176 HydrophobicContact CD1-CG 3.89Å; L171-R176 HydrophobicContact CG-CG 4.37Å; S172-R176 VanDerWaalsContact O-CG 3.31Å; S172-R176 WeakPolarHBondContact O-CG 3.43Å; S172-R176 PolarHBondContact O-N 3.48Å; S172-R176 PolarHBondContact O-NE 3.07Å; S172-R176 VanDerWaalsContact O-NE 3.12Å; A173-R176 WeakPolarHBondContact O-CB 3.26Å; A173-R176 PolarHBondContact O-N 3.02Å; L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3.18Å; R176-A180 WeakPolarHBondContact O-CB 3.21Å; R176-A180 PolarHBondContact O-N 3.25Å; R176-V190 HydrophobicContact CB-CG1 4.48Å; R176-V190 HydrophobicContact CG-CG1 4.17Å
177E98.2Very high97.1Very high101 Ų10175.4 Ų75.447%0.47238%0.377SS..Hα-helixtrans-64.4-48.6177.5-69.5-174.3169.100110.7A173 L174 L179 A180 E181A173-E177 PolarHBondContact O-N 3.47Å; L174-E177 PolarHBondContact O-N 2.84Å; L174-E177 VanDerWaalsContact O-N 3.12Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.33Å; E177-A180 WeakPolarHBondContact O-CB 3.19Å; E177-A180 PolarHBondContact O-N 2.96Å; E177-A180 VanDerWaalsContact O-N 3.12Å; E177-E181 WeakPolarHBondContact O-CG 3.46Å; E177-E181 PolarHBondContact O-N 3.31Å
178H98.1Very high97.1Very high109 Ų10973.5 Ų73.551%0.50537%0.373SS..Hα-helixtrans-59.6-42.6177.5-177.461.1000113.2L174 A180 E181 T182L174-H178 PolarHBondContact O-N 3.11Å; H178-A180 VanDerWaalsContact C-N 3.34Å; H178-E181 PolarHBondContact O-N 2.73Å; H178-T182 PolarHBondContact O-N 2.79Å; H178-T182 VanDerWaalsContact O-N 3.16Å; H178-T182 PolarHBondContact O-OG1 3.16Å
179L97.8Very high97.2Very high5 Ų573.5 Ų73.53%0.02637%0.373CS..Hα-helixtrans-67.2-37.5177.1-172.662.5000112L161 R164 L171 E175 E177 T182 L183 V190 F194L161-L179 HydrophobicContact CD2-CD2 3.97Å; R164-L179 HydrophobicContact CB-CD2 4.27Å; R164-L179 HydrophobicContact CG-CD2 4.03Å; L171-L179 HydrophobicContact CD1-CD2 3.83Å; E175-L179 WeakPolarHBondContact O-CB 3.09Å; E175-L179 PolarHBondContact O-N 3.19Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L179 PolarHBondContact O-N 3.33Å; L179-T182 PolarHBondContact O-N 3.44Å; L179-L183 HydrophobicContact CD1-CD1 3.95Å; L179-L183 HydrophobicContact CD1-CG 4.27Å; L179-L183 HydrophobicContact CG-CD1 4.03Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.23Å; L179-L183 PolarHBondContact O-N 3.49Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; L179-F194 HydrophobicContact CD2-CE2 3.97Å; L179-F194 HydrophobicContact CD2-CZ 4.28Å
180A98.1Very high97.3Very high5 Ų568.8 Ų68.84%0.04136%0.355CS..Hα-helixtrans-62.9-42.8176.900000111.5R176 E177 H178 T182 L183 K184 L185 V190R176-A180 WeakPolarHBondContact O-CB 3.21Å; R176-A180 PolarHBondContact O-N 3.25Å; E177-A180 WeakPolarHBondContact O-CB 3.19Å; E177-A180 PolarHBondContact O-N 2.96Å; E177-A180 VanDerWaalsContact O-N 3.12Å; H178-A180 VanDerWaalsContact C-N 3.34Å; A180-T182 PolarHBondContact O-N 3.47Å; A180-L183 PolarHBondContact O-N 3.33Å; A180-K184 WeakPolarHBondContact O-CA 3.39Å; A180-K184 PolarHBondContact O-N 3.18Å; A180-L185 CarbonylContact C-O 3.55Å; A180-L185 WeakPolarHBondContact CB-O 3.3Å; A180-L185 PolarHBondContact O-N 3.31Å; A180-V190 HydrophobicContact CB-CG2 3.98Å
181E98Very high97.3Very high126 Ų12668.2 Ų68.259%0.58936%0.355SS*.Hα-helixtrans-62.4-41.1175.9-72.1173.4-177.700113.2E177 H178 K184E177-E181 WeakPolarHBondContact O-CG 3.46Å; E177-E181 PolarHBondContact O-N 3.31Å; H178-E181 PolarHBondContact O-N 2.73Å; E181-K184 WeakPolarHBondContact O-CD 3.17Å; E181-K184 PolarHBondContact O-NZ 3.21Å
182T97.2Very high97.4Very high81 Ų8171 Ų7150%0.49737%0.369SS..Hα-helixtrans-65.8-43178.5-56.70000111H178 L179 A180H178-T182 PolarHBondContact O-N 2.79Å; H178-T182 VanDerWaalsContact O-N 3.16Å; H178-T182 PolarHBondContact O-OG1 3.16Å; L179-T182 PolarHBondContact O-N 3.44Å; A180-T182 PolarHBondContact O-N 3.47Å
183L96.8Very high97.4Very high18 Ų1869.7 Ų69.79%0.09436%0.356CS..Hα-helixtrans-90.6-1-175.7-66-177.1000115Q157 E160 L161 L179 A180 L185Q157-L183 PolarHBondContact NE2-O 3.44Å; E160-L183 HydrophobicContact CB-CD1 4.38Å; E160-L183 HydrophobicContact CB-CD2 3.77Å; E160-L183 HydrophobicContact CG-CD1 4.27Å; E160-L183 HydrophobicContact CG-CD2 3.67Å; E160-L183 HydrophobicContact CG-CG 4.31Å; L161-L183 HydrophobicContact CD1-CD1 4.44Å; L161-L183 HydrophobicContact CD2-CD1 3.72Å; L161-L183 HydrophobicContact CG-CD1 3.64Å; L179-L183 HydrophobicContact CD1-CD1 3.95Å; L179-L183 HydrophobicContact CD1-CG 4.27Å; L179-L183 HydrophobicContact CG-CD1 4.03Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.23Å; L179-L183 PolarHBondContact O-N 3.49Å; A180-L183 PolarHBondContact O-N 3.33Å; L183-L185 HydrophobicContact CB-CD1 4.11Å; L183-L185 HydrophobicContact CB-CG 4.05Å; L183-L185 HydrophobicContact CD1-CD1 4.48Å; L183-L185 PolarHBondContact O-N 2.94Å
184K97.8Very high97.5Very high178 Ų17867.2 Ų67.277%0.77433%0.334SS*.THydrogen-bonded Turntrans53.342.5-173.1-51.9-58175.7-156.90111.9A180 E181A180-K184 WeakPolarHBondContact O-CA 3.39Å; A180-K184 PolarHBondContact O-N 3.18Å; E181-K184 WeakPolarHBondContact O-CD 3.17Å; E181-K184 PolarHBondContact O-NZ 3.21Å
185L96.6Very high97.5Very high23 Ų2365 Ų6512%0.1232%0.32CS..  trans-113.8171.9174.2-63.9-179.6000109.5F153 L161 A180 L183 Q189 V190F153-L185 HydrophobicContact CD1-CD1 4.21Å; F153-L185 HydrophobicContact CD1-CD2 3.79Å; F153-L185 HydrophobicContact CE1-CD1 4.16Å; F153-L185 HydrophobicContact CE1-CD2 3.74Å; L161-L185 HydrophobicContact CD1-CD1 4.21Å; A180-L185 CarbonylContact C-O 3.55Å; A180-L185 WeakPolarHBondContact CB-O 3.3Å; A180-L185 PolarHBondContact O-N 3.31Å; L183-L185 HydrophobicContact CB-CD1 4.11Å; L183-L185 HydrophobicContact CB-CG 4.05Å; L183-L185 HydrophobicContact CD1-CD1 4.48Å; L183-L185 PolarHBondContact O-N 2.94Å; L185-Q189 HydrophobicContact CB-CB 4.41Å; L185-V190 HydrophobicContact CB-CG2 4.29Å
186T97.6Very high97.5Very high75 Ų7566.1 Ų66.146%0.4633%0.328SS..  trans-89.9151.5169.671.40000111.2T188 Q189 V190T186-T188 PolarHBondContact O-N 3.33Å; T186-T188 VanDerWaalsContact O-N 3.08Å; T186-Q189 WeakPolarHBondContact O-CB 3.03Å; T186-Q189 PolarHBondContact O-N 3.23Å; T186-Q189 VanDerWaalsContact OG1-CG 3.32Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.29Å; T186-Q189 PolarHBondContact OG1-N 2.87Å; T186-Q189 VanDerWaalsContact OG1-N 3.17Å; T186-Q189 PolarHBondContact OG1-OE1 2.88Å; T186-V190 PolarHBondContact O-N 3.08Å
187S96.6Very high97.5Very high41 Ų4166.8 Ų66.829%0.28733%0.331SS..Hα-helixtrans-56.1-28.8175.865.80000112.6K191S187-K191 WeakPolarHBondContact O-CB 3.3Å; S187-K191 PolarHBondContact O-N 2.95Å
188T97.4Very high97.4Very high79 Ų7965.7 Ų65.749%0.48532%0.322SS..Hα-helixtrans-72.8-41.1174.1-58.20000112.4T186 V190 K191 I192T186-T188 PolarHBondContact O-N 3.33Å; T186-T188 VanDerWaalsContact O-N 3.08Å; T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 3.26Å; T188-K191 WeakPolarHBondContact O-CB 3.28Å; T188-K191 PolarHBondContact O-N 2.99Å; T188-I192 HydrophobicContact CG2-CD1 3.95Å; T188-I192 HydrophobicContact CG2-CG1 4.45Å; T188-I192 WeakPolarHBondContact O-CG1 3.47Å; T188-I192 PolarHBondContact O-N 3.34Å
189Q97.3Very high97.3Very high66 Ų6666.9 Ų66.931%0.30832%0.323SS..Hα-helixtrans-61.6-43.7174.6-76.1169.7-34.100111.3F153 L185 T186 I192 W193F153-Q189 HydrophobicContact CE1-CB 4.33Å; F153-Q189 HydrophobicContact CE1-CG 4.44Å; F153-Q189 HydrophobicContact CZ-CB 4.08Å; F153-Q189 HydrophobicContact CZ-CG 4.39Å; L185-Q189 HydrophobicContact CB-CB 4.41Å; T186-Q189 WeakPolarHBondContact O-CB 3.03Å; T186-Q189 PolarHBondContact O-N 3.23Å; T186-Q189 VanDerWaalsContact OG1-CG 3.32Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.29Å; T186-Q189 PolarHBondContact OG1-N 2.87Å; T186-Q189 VanDerWaalsContact OG1-N 3.17Å; T186-Q189 PolarHBondContact OG1-OE1 2.88Å; Q189-I192 PolarHBondContact O-N 3.29Å; Q189-W193 WeakPolarHBondContact O-CB 3.26Å; Q189-W193 PolarHBondContact O-N 3.48Å
190V97.8Very high97Very high0 Ų072 Ų720%035%0.345CS..Hα-helixtrans-60.8-46.2174.1177.90000110.5L161 L171 R176 L179 A180 L185 T186 T188 I192 W193 F194L161-V190 HydrophobicContact CD2-CG1 4.36Å; L161-V190 HydrophobicContact CD2-CG2 4.48Å; L171-V190 HydrophobicContact CD1-CG1 4.16Å; R176-V190 HydrophobicContact CB-CG1 4.48Å; R176-V190 HydrophobicContact CG-CG1 4.17Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; A180-V190 HydrophobicContact CB-CG2 3.98Å; L185-V190 HydrophobicContact CB-CG2 4.29Å; T186-V190 PolarHBondContact O-N 3.08Å; T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 3.26Å; V190-I192 PolarHBondContact O-N 3.12Å; V190-W193 PolarHBondContact O-N 3.43Å; V190-F194 HydrophobicContact CG1-CD2 3.85Å; V190-F194 HydrophobicContact CG1-CE2 3.95Å; V190-F194 WeakPolarHBondContact O-CD2 3.49Å; V190-F194 PolarHBondContact O-N 2.94Å
191K97.4Very high96.5Very high114 Ų11473.4 Ų73.450%0.49636%0.355SS..Hα-helixtrans-55.6-49.7176-178.8-174.9177.7-1790112.2S187 T188 F194 Q195S187-K191 WeakPolarHBondContact O-CB 3.3Å; S187-K191 PolarHBondContact O-N 2.95Å; T188-K191 WeakPolarHBondContact O-CB 3.28Å; T188-K191 PolarHBondContact O-N 2.99Å; K191-F194 PolarHBondContact O-N 3.06Å; K191-Q195 WeakPolarHBondContact O-CB 3.11Å; K191-Q195 PolarHBondContact O-N 2.86Å
192I97.4Very high96.1Very high83 Ų8372.8 Ų72.843%0.42635%0.35SS..Hα-helixtrans-64.2-43.2-179.6-69.3168.8000110.3T188 Q189 V190 Q195 N196T188-I192 HydrophobicContact CG2-CD1 3.95Å; T188-I192 HydrophobicContact CG2-CG1 4.45Å; T188-I192 WeakPolarHBondContact O-CG1 3.47Å; T188-I192 PolarHBondContact O-N 3.34Å; Q189-I192 PolarHBondContact O-N 3.29Å; V190-I192 PolarHBondContact O-N 3.12Å; I192-Q195 PolarHBondContact O-N 3.5Å; I192-N196 WeakPolarHBondContact O-CB 3.36Å; I192-N196 VanDerWaalsContact O-CG 3.28Å; I192-N196 PolarHBondContact O-N 3.37Å; I192-N196 PolarHBondContact O-ND2 3.49Å
193W97.6Very high95.7Very high30 Ų3075.7 Ų75.711%0.11435%0.352CS..Hα-helixtrans-61.2-47.3178.5-171.298000111.4F153 L161 E162 F165 Q189 V190 Q195 N196 R197F153-W193 AromaticContact CD2-CD1 3.7Å; F153-W193 HydrophobicContact CE2-CB 4.3Å; F153-W193 AromaticContact CE2-CD1 3.62Å; F153-W193 HydrophobicContact CE2-CG 4.32Å; L161-W193 HydrophobicContact CB-CD2 3.94Å; L161-W193 HydrophobicContact CB-CE3 3.88Å; L161-W193 HydrophobicContact CB-CH2 3.68Å; L161-W193 HydrophobicContact CB-CZ2 3.71Å; L161-W193 HydrophobicContact CB-CZ3 3.77Å; L161-W193 HydrophobicContact CD1-CD2 3.85Å; L161-W193 HydrophobicContact CD1-CE3 4.47Å; L161-W193 HydrophobicContact CD1-CG 3.84Å; L161-W193 HydrophobicContact CD2-CD2 4.44Å; L161-W193 HydrophobicContact CD2-CE3 4.3Å; L161-W193 HydrophobicContact CG-CD2 4.29Å; L161-W193 HydrophobicContact CG-CE3 4.45Å; E162-W193 HydrophobicContact CB-CH2 4.45Å; E162-W193 HydrophobicContact CG-CH2 3.69Å; E162-W193 HydrophobicContact CG-CZ2 3.72Å; F165-W193 HydrophobicContact CB-CH2 4.32Å; F165-W193 HydrophobicContact CB-CZ3 4.03Å; F165-W193 HydrophobicContact CD2-CZ3 4.34Å; F165-W193 HydrophobicContact CG-CZ3 4.34Å; Q189-W193 WeakPolarHBondContact O-CB 3.26Å; Q189-W193 PolarHBondContact O-N 3.48Å; V190-W193 PolarHBondContact O-N 3.43Å; W193-Q195 VanDerWaalsContact C-N 3.31Å; W193-Q195 PolarHBondContact O-N 3.34Å; W193-N196 PolarHBondContact O-N 3.11Å; W193-R197 HydrophobicContact CE3-CB 4.1Å; W193-R197 HydrophobicContact CH2-CB 4.13Å; W193-R197 HydrophobicContact CH2-CG 3.87Å; W193-R197 HydrophobicContact CZ3-CB 3.83Å; W193-R197 HydrophobicContact CZ3-CG 3.9Å; W193-R197 WeakPolarHBondContact O-CB 3.27Å; W193-R197 PolarHBondContact O-N 3.18Å
194F98.1Very high94.8Very high8 Ų879.8 Ų79.84%0.03537%0.371CS..Hα-helixtrans-62.7-37.1177-90.3-106.6000112.2L161 R164 F165 Q168 L171 L179 V190 K191 R198L161-F194 HydrophobicContact CD2-CE2 3.95Å; R164-F194 HydrophobicContact CB-CZ 4.34Å; R164-F194 HydrophobicContact CG-CZ 4.22Å; F165-F194 HydrophobicContact CB-CE1 4.21Å; F165-F194 HydrophobicContact CB-CZ 4.33Å; F165-F194 AromaticContact CD2-CD1 3.75Å; F165-F194 HydrophobicContact CD2-CD1 3.75Å; F165-F194 AromaticContact CD2-CE1 3.78Å; F165-F194 HydrophobicContact CD2-CE1 3.78Å; F165-F194 HydrophobicContact CE2-CD1 4.37Å; Q168-F194 WeakPolarHBondContact O-CE1 3.3Å; L171-F194 HydrophobicContact CD1-CD1 4.2Å; L171-F194 HydrophobicContact CD1-CD2 4.12Å; L171-F194 HydrophobicContact CD1-CE1 3.67Å; L171-F194 HydrophobicContact CD1-CE2 3.59Å; L171-F194 HydrophobicContact CD1-CG 4.41Å; L171-F194 HydrophobicContact CD1-CZ 3.36Å; L171-F194 HydrophobicContact CD2-CE1 4.3Å; L171-F194 HydrophobicContact CD2-CZ 4.45Å; L171-F194 HydrophobicContact CG-CD1 4.08Å; L171-F194 HydrophobicContact CG-CE1 3.61Å; L171-F194 HydrophobicContact CG-CE2 4.44Å; L171-F194 HydrophobicContact CG-CZ 3.84Å; L179-F194 HydrophobicContact CD2-CE2 3.97Å; L179-F194 HydrophobicContact CD2-CZ 4.28Å; V190-F194 HydrophobicContact CG1-CD2 3.85Å; V190-F194 HydrophobicContact CG1-CE2 3.95Å; V190-F194 WeakPolarHBondContact O-CD2 3.49Å; V190-F194 PolarHBondContact O-N 2.94Å; K191-F194 PolarHBondContact O-N 3.06Å; F194-R198 WeakPolarHBondContact O-CG 3.4Å; F194-R198 PolarHBondContact O-N 2.94Å
195Q97.4Very high93.9Very high89 Ų8975.9 Ų75.942%0.41636%0.362SS..Hα-helixtrans-64.5-47.7174.7-173.1169.822.500111.7K191 I192 W193 R197 R198 Y199K191-Q195 WeakPolarHBondContact O-CB 3.11Å; K191-Q195 PolarHBondContact O-N 2.86Å; I192-Q195 PolarHBondContact O-N 3.5Å; W193-Q195 VanDerWaalsContact C-N 3.31Å; W193-Q195 PolarHBondContact O-N 3.34Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 2.92Å; Q195-R198 PolarHBondContact O-N 2.84Å; Q195-Y199 PolarHBondContact O-N 3.29Å
196N97.1Very high92.8Very high99 Ų9979.7 Ų79.753%0.52938%0.379SS..Hα-helixtrans-62.2-41.1177.2-72-17.4000111.6I192 W193 Y199 K200I192-N196 WeakPolarHBondContact O-CB 3.36Å; I192-N196 VanDerWaalsContact O-CG 3.28Å; I192-N196 PolarHBondContact O-N 3.37Å; I192-N196 PolarHBondContact O-ND2 3.49Å; W193-N196 PolarHBondContact O-N 3.11Å; N196-Y199 WeakPolarHBondContact O-CB 3.12Å; N196-Y199 PolarHBondContact O-N 3.42Å; N196-K200 PolarHBondContact O-N 2.96Å
197R97.1Very high91.5Very high72 Ų7279.7 Ų79.727%0.27238%0.376SS..Hα-helixtrans-63.3-44178.7-174.366.5-163.9170.56.8111.7E162 F165 W193 Q195 Y199 K200 C201E162-R197 IonicContact OE1-NH1 2.79Å; F165-R197 HydrophobicContact CD1-CG 3.71Å; F165-R197 HydrophobicContact CD2-CB 4.26Å; F165-R197 HydrophobicContact CD2-CG 3.77Å; F165-R197 HydrophobicContact CE1-CG 3.61Å; F165-R197 HydrophobicContact CE2-CB 4.06Å; F165-R197 HydrophobicContact CE2-CG 3.69Å; F165-R197 HydrophobicContact CG-CG 3.79Å; F165-R197 HydrophobicContact CZ-CB 4.32Å; F165-R197 HydrophobicContact CZ-CG 3.6Å; W193-R197 HydrophobicContact CE3-CB 4.1Å; W193-R197 HydrophobicContact CH2-CB 4.13Å; W193-R197 HydrophobicContact CH2-CG 3.87Å; W193-R197 HydrophobicContact CZ3-CB 3.83Å; W193-R197 HydrophobicContact CZ3-CG 3.9Å; W193-R197 WeakPolarHBondContact O-CB 3.27Å; W193-R197 PolarHBondContact O-N 3.18Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 2.92Å; R197-Y199 VanDerWaalsContact C-N 3.35Å; R197-K200 PolarHBondContact O-N 3.25Å; R197-C201 PolarHBondContact O-N 3.43Å; R197-C201 VanDerWaalsContact O-N 3.14Å
198R96.8Very high90.2Very high79 Ų7987.2 Ų87.230%0.29840%0.398SS..Hα-helixtrans-61.7-42.1173.1-72.3-174.1-71.3129.8-5.7112F165 R169 Y170 F194 Q195 C201 K202F165-R198 HydrophobicContact CE2-CG 3.76Å; F165-R198 HydrophobicContact CZ-CG 4Å; R169-R198 WeakPolarHBondContact O-CD 3.28Å; Y170-R198 VanDerWaalsContact CE1-CZ 3.42Å; Y170-R198 VanDerWaalsContact CZ-CD 3.47Å; F194-R198 WeakPolarHBondContact O-CG 3.4Å; F194-R198 PolarHBondContact O-N 2.94Å; Q195-R198 PolarHBondContact O-N 2.84Å; R198-C201 PolarHBondContact O-N 3.22Å; R198-K202 PolarHBondContact O-N 2.91Å
199Y95.6Very high88.7Confident133 Ų13387.3 Ų87.352%0.52240%0.402SS..Hα-helixtrans-62.2-43.2177.4-118.5-79.2000112.8Q195 N196 R197 K202 R203Q195-Y199 PolarHBondContact O-N 3.29Å; N196-Y199 WeakPolarHBondContact O-CB 3.12Å; N196-Y199 PolarHBondContact O-N 3.42Å; R197-Y199 VanDerWaalsContact C-N 3.35Å; Y199-K202 PolarHBondContact O-N 2.82Å; Y199-R203 PolarHBondContact O-N 3.49Å
200K90.9Very high87Confident112 Ų11288.9 Ų88.949%0.48741%0.412SS..Hα-helixtrans-61.5-44.7177.5-172.6177.3179.4-178.80111.2N196 R197 K202 R203 Q204N196-K200 PolarHBondContact O-N 2.96Å; R197-K200 PolarHBondContact O-N 3.25Å; K200-K202 PolarHBondContact O-N 3Å; K200-R203 PolarHBondContact O-N 3.4Å; K200-Q204 WeakPolarHBondContact O-CG 3.21Å; K200-Q204 PolarHBondContact O-N 2.91Å
201C88.7Confident85.1Confident36 Ų3695.1 Ų95.124%0.24344%0.441CS..Hα-helixtrans-59.8-45.6176.4-169.20000111.6R169 R197 R198 R203 Q204 T205R169-C201 PolarHBondContact NH2-SG 3.38Å; R197-C201 PolarHBondContact O-N 3.43Å; R197-C201 VanDerWaalsContact O-N 3.14Å; R198-C201 PolarHBondContact O-N 3.22Å; C201-R203 PolarHBondContact O-N 3.42Å; C201-Q204 PolarHBondContact O-N 3.35Å; C201-T205 PolarHBondContact O-N 3.49Å; C201-T205 PolarHBondContact O-OG1 3.19Å
202K89.3Confident83.2Confident113 Ų11397.6 Ų97.649%0.49146%0.459SS..Hα-helixtrans-61.8-43177.7-165-175.988.8167.80112.1R198 Y199 K200 T205 Q206R198-K202 PolarHBondContact O-N 2.91Å; Y199-K202 PolarHBondContact O-N 2.82Å; K200-K202 PolarHBondContact O-N 3Å; K202-T205 PolarHBondContact O-N 3.35Å; K202-Q206 PolarHBondContact O-N 2.97Å
203R88.4Confident81.4Confident142 Ų14296.5 Ų96.554%0.53646%0.462SS..Hα-helixtrans-63-44.9178.1-85.6-176.4168.6-112.11.8112Y199 K200 C201 T205 Q206 D207Y199-R203 PolarHBondContact O-N 3.49Å; K200-R203 PolarHBondContact O-N 3.4Å; C201-R203 PolarHBondContact O-N 3.42Å; R203-T205 VanDerWaalsContact C-N 3.29Å; R203-T205 PolarHBondContact O-N 2.94Å; R203-Q206 PolarHBondContact O-N 3.15Å; R203-Q206 VanDerWaalsContact O-N 3.11Å; R203-D207 WeakPolarHBondContact O-CB 3.2Å; R203-D207 VanDerWaalsContact O-CG 3.3Å; R203-D207 PolarHBondContact O-N 3.14Å
204Q79.1Confident79.1Confident104 Ų10498 Ų9849%0.48649%0.488SS..Hα-helixtrans-59.7-38.8179-75.4176.3-25.500112.5K200 C201 R208K200-Q204 WeakPolarHBondContact O-CG 3.21Å; K200-Q204 PolarHBondContact O-N 2.91Å; C201-Q204 PolarHBondContact O-N 3.35Å; Q204-R208 VanDerWaalsContact O-CB 3.32Å; Q204-R208 WeakPolarHBondContact O-CB 3.48Å; Q204-R208 PolarHBondContact O-N 3.04Å
205T77.3Confident77Confident96 Ų96104.9 Ų104.959%0.58952%0.518SS*.Hα-helixtrans-66-41.3174.9-510000112.2C201 K202 R203 S209C201-T205 PolarHBondContact O-N 3.49Å; C201-T205 PolarHBondContact O-OG1 3.19Å; K202-T205 PolarHBondContact O-N 3.35Å; R203-T205 VanDerWaalsContact C-N 3.29Å; R203-T205 PolarHBondContact O-N 2.94Å; T205-S209 WeakPolarHBondContact O-CB 3.33Å; T205-S209 PolarHBondContact O-N 3.29Å
206Q73.5Confident74.9Confident102 Ų102105.7 Ų105.748%0.47753%0.53SS..Hα-helixtrans-68.1-45.2177.9-71.8-176.7-600112.2K202 R203 R208 S209 L210K202-Q206 PolarHBondContact O-N 2.97Å; R203-Q206 PolarHBondContact O-N 3.15Å; R203-Q206 VanDerWaalsContact O-N 3.11Å; Q206-R208 VanDerWaalsContact C-N 3.34Å; Q206-R208 PolarHBondContact O-N 2.87Å; Q206-S209 WeakPolarHBondContact O-CB 3.36Å; Q206-S209 PolarHBondContact O-N 3.07Å; Q206-L210 WeakPolarHBondContact O-CG 3.35Å; Q206-L210 PolarHBondContact O-N 3.32Å
207D70.9Confident72.7Confident75 Ų75105.8 Ų105.840%0.40154%0.536SS..Hα-helixtrans-63.7-41.7179.9-65.7-27.7000110.3R203 S209 L210 E211R203-D207 WeakPolarHBondContact O-CB 3.2Å; R203-D207 VanDerWaalsContact O-CG 3.3Å; R203-D207 PolarHBondContact O-N 3.14Å; D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 3.1Å; D207-L210 PolarHBondContact O-N 3.07Å; D207-L210 VanDerWaalsContact O-N 3.15Å; D207-E211 PolarHBondContact O-N 2.95Å
208R68.8Low70.9Confident200 Ų200106.1 Ų106.176%0.75556%0.555SS**Hα-helixtrans-62.5-38.2173.8-169.4178.4-173.3172.73.7112.6Q204 Q206 L210 E211 L212Q204-R208 VanDerWaalsContact O-CB 3.32Å; Q204-R208 WeakPolarHBondContact O-CB 3.48Å; Q204-R208 PolarHBondContact O-N 3.04Å; Q206-R208 VanDerWaalsContact C-N 3.34Å; Q206-R208 PolarHBondContact O-N 2.87Å; R208-L210 VanDerWaalsContact C-N 3.3Å; R208-L210 PolarHBondContact O-N 3.3Å; R208-E211 PolarHBondContact O-N 2.98Å; R208-L212 WeakPolarHBondContact O-CB 3.3Å; R208-L212 PolarHBondContact O-N 3.32Å
209S66.9Low69.1Low80 Ų80107.5 Ų107.556%0.55957%0.574SS**Hα-helixtrans-65.6-32.9175.2-175.90000112.6T205 Q206 D207 A213T205-S209 WeakPolarHBondContact O-CB 3.33Å; T205-S209 PolarHBondContact O-N 3.29Å; Q206-S209 WeakPolarHBondContact O-CB 3.36Å; Q206-S209 PolarHBondContact O-N 3.07Å; D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 3.1Å; S209-A213 WeakPolarHBondContact O-CB 3.44Å; S209-A213 PolarHBondContact O-N 3.42Å
210L60.5Low67.5Low99 Ų99111.9 Ų111.952%0.51859%0.59SS.*Hα-helixtrans-76.5-35.9177.9-68.4171.8000112.1Q206 D207 R208 A213Q206-L210 WeakPolarHBondContact O-CG 3.35Å; Q206-L210 PolarHBondContact O-N 3.32Å; D207-L210 PolarHBondContact O-N 3.07Å; D207-L210 VanDerWaalsContact O-N 3.15Å; R208-L210 VanDerWaalsContact C-N 3.3Å; R208-L210 PolarHBondContact O-N 3.3Å; L210-A213 PolarHBondContact O-N 2.99Å
211E57.8Low65.9Low131 Ų131117.5 Ų117.561%0.61261%0.608SS**Hα-helixtrans-67.7-39173.9-68.7-157.5163.100112.1D207 R208 A213 G214D207-E211 PolarHBondContact O-N 2.95Å; R208-E211 PolarHBondContact O-N 2.98Å; E211-A213 VanDerWaalsContact C-N 3.25Å; E211-A213 PolarHBondContact O-N 3.46Å; E211-G214 PolarHBondContact O-N 3.06Å; E211-G214 VanDerWaalsContact O-N 3.11Å
212L58.3Low64.7Low166 Ų166122.8 Ų122.887%0.86963%0.632SS**Hα-helixtrans-68.5-26.1175.3-161.365.6000112.7R208 G214R208-L212 WeakPolarHBondContact O-CB 3.3Å; R208-L212 PolarHBondContact O-N 3.32Å; L212-G214 PolarHBondContact O-N 3.2Å
213A60.2Low63Low60 Ų60121.8 Ų121.850%0.49665%0.645SS.*THydrogen-bonded Turntrans-78.25.1173.300000113.6S209 L210 E211 F215S209-A213 WeakPolarHBondContact O-CB 3.44Å; S209-A213 PolarHBondContact O-N 3.42Å; L210-A213 PolarHBondContact O-N 2.99Å; E211-A213 VanDerWaalsContact C-N 3.25Å; E211-A213 PolarHBondContact O-N 3.46Å; A213-F215 VanDerWaalsContact C-N 3.28Å; A213-F215 HydrophobicContact CB-CD2 4.07Å; A213-F215 HydrophobicContact CB-CE2 4.44Å; A213-F215 WeakPolarHBondContact O-CD2 3.39Å; A213-F215 PolarHBondContact O-N 3.44Å
214G49.1Very low61.8Low63 Ų63120.4 Ų120.465%0.64965%0.652SS**THydrogen-bonded Turntrans74.611.117200000115.2E211 L212 P216E211-G214 PolarHBondContact O-N 3.06Å; E211-G214 VanDerWaalsContact O-N 3.11Å; L212-G214 PolarHBondContact O-N 3.2Å; G214-P216 WeakPolarHBondContact O-CD 3.35Å
215F54.4Low61Low152 Ų152120.4 Ų120.467%0.66766%0.661SS**  trans-90.7109.4172.4-66.6-79.3000108.9A213A213-F215 VanDerWaalsContact C-N 3.28Å; A213-F215 HydrophobicContact CB-CD2 4.07Å; A213-F215 HydrophobicContact CB-CE2 4.44Å; A213-F215 WeakPolarHBondContact O-CD2 3.39Å; A213-F215 PolarHBondContact O-N 3.44Å
216P52.5Low60.2Low105 Ų105123.2 Ų123.268%0.68267%0.672SS**  trans-58.8142.9174.324.5-32.4000109.1G214 A218G214-P216 WeakPolarHBondContact O-CD 3.35Å; P216-A218 PolarHBondContact O-N 2.91Å
217P51.4Low59.6Low101 Ų101126.3 Ų126.366%0.65669%0.691SS**  trans-60.6100.6178.423.9-32.2000108.4P219P217-P219 WeakPolarHBondContact O-CD 3.37Å; P217-P219 VanDerWaalsContact O-N 3.09Å
218A58.2Low59Low79 Ų79127.6 Ų127.665%0.65370%0.701SS**  trans-56.8121.5179.700000107.6P216 R220P216-A218 PolarHBondContact O-N 2.91Å; A218-R220 PolarHBondContact O-N 2.96Å
219P59.9Low57.9Low108 Ų108128.8 Ų128.870%0.70171%0.705SS**  trans-58.4116.5178.919.9-29000107.1P217 R221P217-P219 WeakPolarHBondContact O-CD 3.37Å; P217-P219 VanDerWaalsContact O-N 3.09Å; P219-R221 PolarHBondContact O-N 3.31Å
220R62.4Low57Low226 Ų226131.2 Ų131.285%0.85371%0.712SS**  trans-67.280177.3-61.8179.7-169.7-101.3-0.6107.7A218 I222A218-R220 PolarHBondContact O-N 2.96Å; R220-I222 PolarHBondContact O-N 3.35Å
221R56.8Low56.6Low230 Ų230130.4 Ų130.487%0.86873%0.728SS**  trans-72.395.5174.8-65.9-174.8112.9-164.23.6107.1P219 A223P219-R221 PolarHBondContact O-N 3.31Å; R221-A223 PolarHBondContact O-N 3.39Å
222I62.3Low56Low146 Ų146132.3 Ų132.375%0.74973%0.734SS**  trans-69.6110.2166.8-59.4172.4000105.6R220 V224R220-I222 PolarHBondContact O-N 3.35Å; I222-V224 PolarHBondContact O-N 3.04Å
223A54.3Low55.4Low92 Ų92132.9 Ų132.976%0.7674%0.737SS**  trans-64.8104.8168.200000107.4R221 P225R221-A223 PolarHBondContact O-N 3.39Å; A223-P225 VanDerWaalsContact O-CD 3.26Å; A223-P225 WeakPolarHBondContact O-CD 3.16Å
224V64.3Low54.5Low113 Ų113135.5 Ų135.569%0.68575%0.75SS**  trans-73.6115.3170.4179.10000106.1I222 L226I222-V224 PolarHBondContact O-N 3.04Å; V224-L226 PolarHBondContact O-N 3.35Å
225P60.7Low54.1Low105 Ų105136.1 Ų136.168%0.68276%0.757SS**  trans-63.4111.3171.5-14.229.3000106.9A223 L227A223-P225 VanDerWaalsContact O-CD 3.26Å; A223-P225 WeakPolarHBondContact O-CD 3.16Å; P225-L227 VanDerWaalsContact C-N 3.3Å; P225-L227 PolarHBondContact O-N 3.49Å
226L61.2Low53.4Low155 Ų155134 Ų13481%0.81277%0.768SS**  trans-62.7100.3164.9-67.9170.9000105.7V224 V228V224-L226 PolarHBondContact O-N 3.35Å; L226-V228 PolarHBondContact O-N 3.33Å
227L60.2Low52.9Low167 Ų167132.1 Ų132.187%0.87477%0.767SS**  trans-6787.8168.6-71.9170.8000106.9P225 R229P225-L227 VanDerWaalsContact C-N 3.3Å; P225-L227 PolarHBondContact O-N 3.49Å; L227-R229 PolarHBondContact O-N 3.43Å
228V58.3Low52.7Low102 Ų102133.2 Ų133.262%0.61878%0.775SS**  trans-63.7104.1166.21780000105.9L226 D230L226-V228 PolarHBondContact O-N 3.33Å; V228-D230 PolarHBondContact O-N 3Å
229R46.9Very low52.1Low225 Ų225139.2 Ų139.285%0.84978%0.782SS**SBendtrans-78.6115164.4-167.3171.1-179.1153.80.7106.3L227L227-R229 PolarHBondContact O-N 3.43Å
230D46.8Very low51.3Low130 Ų130143.7 Ų143.770%0.69579%0.793SS**SBendtrans67103176.1-49-41.6000113.8V228 K232V228-D230 PolarHBondContact O-N 3Å; D230-K232 VanDerWaalsContact C-N 3.33Å; D230-K232 PolarHBondContact O-N 2.96Å
231G51.9Low50.3Low83 Ų83139 Ų13986%0.85680%0.795SS**SBendtrans-57.279.2-17200000115.6
232K46.9Very low49.3Very low171 Ų171131.2 Ų131.274%0.74379%0.786SS**  trans-147.4105.4170.5-151.8153.3-175.6168.10111.1D230 C234D230-K232 VanDerWaalsContact C-N 3.33Å; D230-K232 PolarHBondContact O-N 2.96Å; K232-C234 PolarHBondContact O-N 3.34Å; K232-C234 VanDerWaalsContact O-N 3.16Å
233L44.1Very low48.7Very low177 Ų177129.8 Ų129.893%0.92779%0.786SS**  trans-73.698164.7-68.6171.1000107.8
234C42.6Very low47.9Very low115 Ų115135.8 Ų135.878%0.77779%0.791SS**  trans-86.6108170-760000110K232K232-C234 PolarHBondContact O-N 3.34Å; K232-C234 VanDerWaalsContact O-N 3.16Å
235G41.1Very low46.9Very low77 Ų77137.6 Ų137.679%0.79480%0.797SS**  trans104.796.5134.400000118.9
236A39.2Very low46Very low107 Ų107138.5 Ų138.588%0.88480%0.8SS**  -161.3130127.100000109.2
237G41.3Very low45.1Very low66 Ų66137.2 Ų137.268%0.6880%0.799SS**  trans-82.3-169.9-161.800000118.2Y239G237-Y239 PolarHBondContact O-N 3.05Å; G237-Y239 VanDerWaalsContact O-N 3.15Å
238P47.4Very low44.2Very low124 Ų124136.2 Ų136.281%0.80579%0.794SS**SBendtrans-83.422.8-154.8-13.230.5000118.9
239Y44.8Very low43Very low204 Ų204134.4 Ų134.480%0.880%0.795SS**  trans-142.688.3-179.9-70.9-85.3000111.2G237G237-Y239 PolarHBondContact O-N 3.05Å; G237-Y239 VanDerWaalsContact O-N 3.15Å
240H44.5Very low42.7Very low202 Ų202131.6 Ų131.694%0.93579%0.792SS**  trans-158.9116.1142.3-83.7-54.7000109.4
241S39.9Very low42Very low128 Ų128136 Ų13690%0.89580%0.8SS**  trans-90.3122.2176.1169.70000110.1
242G37.6Very low41.4Very low67 Ų67136.6 Ų136.669%0.69179%0.791SS**  trans73.9168.4149.200000120.1
243P48.4Very low41.2Very low116 Ų116134.8 Ų134.875%0.75380%0.797SS**  cis-135.9137.6-40.935-18.4000112.3
244Y37.3Very low40.9Very low217 Ų217130.1 Ų130.185%0.85178%0.784SS**  trans-140.4103.7142.957.8-91.2000108.1V246Y244-V246 PolarHBondContact O-N 3.22Å
245N42.9Very low40.5Very low151 Ų151135 Ų13581%0.80779%0.792SS**  trans-65.4122.5167.7-79-45.6000108.2
246V42.5Very low40Very low125 Ų125134.9 Ų134.976%0.75879%0.79SS**  trans-107103.6150.2-179.10000105.3Y244 L248Y244-V246 PolarHBondContact O-N 3.22Å; V246-L248 PolarHBondContact O-N 3.49Å
247T41.8Very low39.9Very low128 Ų128136.2 Ų136.279%0.78579%0.794SS**  trans-52101.2175.9-470000109.6G249T247-G249 PolarHBondContact O-N 3.47Å
248L41.2Very low39.4Very low145 Ų145136.8 Ų136.876%0.75980%0.799SS**  trans-73.6100.7166.9-17864.6000106.8V246 H250V246-L248 PolarHBondContact O-N 3.49Å; L248-H250 PolarHBondContact O-N 3.48Å
249G34.5Very low38.8Very low64 Ų64138.3 Ų138.366%0.6680%0.8SS**  trans-59.2101.5172.600000110.3T247 Y251T247-G249 PolarHBondContact O-N 3.47Å; G249-Y251 PolarHBondContact O-N 2.71Å
250H39.8Very low38.4Very low166 Ų166134 Ų13477%0.76980%0.801SS**  trans-62.1105.6157.6-84.4-104.3000108.2L248L248-H250 PolarHBondContact O-N 3.48Å
251Y33.2Very low37.9Very low223 Ų223131.2 Ų131.288%0.87579%0.792SS**  trans-106.495.8157.7-124.6-90.9000107.3G249G249-Y251 PolarHBondContact O-N 2.71Å
252S39.3Very low37.8Very low96 Ų96132.7 Ų132.767%0.67179%0.79SS**  trans-73.7128.5161.6-67.90000108.3
253P41.8Very low37.9Very low133 Ų133139.4 Ų139.486%0.86480%0.795SS**  trans-95.3104.4161.132.5-21.2000107.9
254A37.8Very low37Very low78 Ų78137.5 Ų137.565%0.64580%0.797SS**  trans-138.8142.816400000108.7
255F35.1Very low36.6Very low219 Ų219132.3 Ų132.396%0.96179%0.791SS**  trans86.1118.7-168-55.9-74.4000114.1
256G29.7Very low35.9Very low73 Ų73135.2 Ų135.275%0.75379%0.79SS**  cis-161.516010.600000114.2
257S37.5Very low35.4Very low136 Ų136140 Ų14095%0.95180%0.797SS**  trans-63140.9168.3-52.80000111.4
258G30.9Very low35Very low77 Ų77141.5 Ų141.579%0.79479%0.794SS**  trans178.5103.2169.100000111.1
259N34.4Very low34.7Very low156 Ų156139.7 Ų139.783%0.83479%0.794SS**  trans-39.9147.8-179.8-78-36.3000116.2
260S35.9Very low34.7Very low115 Ų115143.6 Ų143.680%0.80480%0.804SS**  -172.6131.5109.8-69.20000110.5
261D34.9Very low34.4Very low142 Ų142140.8 Ų140.876%0.75980%0.803SS**  trans-43.6148.8174.4-56.9-84.4000115.2
262L37.8Very low34.5Very low160 Ų160135.9 Ų135.984%0.83880%0.802SS**  170.2134.2121.4-87.2154.6000111.8
263Y38.6Very low33.9Very low208 Ų208137.5 Ų137.582%0.81681%0.812SS**  trans77.972.5172.9-83.7-90.6000119.3
264G29.8Very low33.6Very low76 Ų76136.5 Ų136.578%0.78481%0.808SS**  trans-88.5113.4148.200000111R266G264-R266 PolarHBondContact O-N 3.27Å
265C29Very low33.4Very low107 Ų107138.2 Ų138.272%0.72382%0.815SS**  trans-82.496.1167.1-72.70000109.6
266R29.3Very low33.4Very low212 Ų212135.7 Ų135.780%0.881%0.807SS**  trans-80.3110.8170.6-170.5178.8-136.7176.54.9108.8G264 H268G264-R266 PolarHBondContact O-N 3.27Å; R266-H268 PolarHBondContact O-N 3.28Å
267Y31.1Very low33.5Very low226 Ų226139.4 Ų139.489%0.88681%0.808SS**  trans-68114.8168.1-79.6-92000109.3
268H33.5Very low33.4Very low159 Ų159137.8 Ų137.874%0.73680%0.797SS**  trans-94118.7163.7-92.2-18.1000110R266R266-H268 PolarHBondContact O-N 3.28Å
269S35.6Very low33.4Very low107 Ų107141.2 Ų141.275%0.74880%0.797SS**  trans-71.8130.4162.5164.40000109.6
270V34Very low33.4Very low146 Ų146138.7 Ų138.789%0.88579%0.791SS**  trans-143.3127.9150.2-740000109.8
271S34.2Very low33.5Very low107 Ų107137.5 Ų137.575%0.74879%0.789SS**  trans-101.7144167.5-68.50000110.2
272S33.4Very low33.7Very low121 Ų121138 Ų13885%0.84679%0.792SS**  trans64.8122145.9-580000121.5
273C28.5Very low33.9Very low130 Ų130135.8 Ų135.888%0.87879%0.789SS**  -151.1142120.772.60000112.1
274S34.6Very low34.5Very low112 Ų112130.2 Ų130.278%0.78379%0.786SS**  trans-90159178.3-54.70000112
275S33.9Very low36.2Very low113 Ų113132.3 Ų132.379%0.7979%0.786SS**  trans172.1106.5138.7-73.80000108.4
276Q34.3Very low37.6Very low167 Ų167133.2 Ų133.278%0.7879%0.791SS**  84.4132.280.4-81.8-136.465.700115.8
277L31.7Very low38.6Very low151 Ų151128 Ų12879%0.79179%0.793SS**  trans78.1139155.8-61.5150.3000116.7
278S35.8Very low40Very low102 Ų102123.4 Ų123.471%0.71379%0.794SS**  cis-172.91477.341.70000109.9
279D31.9Very low40.8Very low149 Ų149123.3 Ų123.380%0.79784%0.836SS**  trans43.2131.1140.5-98.8-49.9000125.9
280S34.1Very low41.1Very low102 Ų102124.1 Ų124.171%0.71384%0.84SS**  78.1127.1125.6-75.60000124.3
281A37.8Very low41.5Very low91 Ų91122.9 Ų122.975%0.75284%0.838SS**  trans80.7112.8132.100000121.5
282D37.7Very low41.9Very low153 Ų153123.8 Ų123.882%0.81884%0.843SS**  57.4115.5110.7-139.7-0.1000119.1
283S43.5Very low42.4Very low112 Ų112124 Ų12478%0.78384%0.842SS**  169.5122.1128.6-80.30000112.2
284A51.3Low43.3Very low92 Ų92123.6 Ų123.676%0.7684%0.84SS**  trans-66.4165.1157.100000111.5
285P64Low43.8Very low120 Ų120124.4 Ų124.478%0.77984%0.844SS**  trans-125.3154.9144.135.2-24.9000113.1
286P59.8Low44.5Very low125 Ų125125.2 Ų125.281%0.81285%0.848SS**  trans-96.6162.1-174.638.6-32.6000112.1
287A49.6Very low45.3Very low104 Ų104122 Ų12286%0.8685%0.853SS**  trans-157.5107.5149.300000110.3
288S60.3Low46.5Very low129 Ų129119.6 Ų119.690%0.90286%0.858SS**  trans-84.2146.9159.8-47.20000108.9
289G51.9Low47.4Very low156 Ų156121.2 Ų121.2100%1.60887%0.871SS**  trans168.30171.900000111.4

Retrieved 289 of 289 residues in 158.4 ms (Link to these results)