A0A087XLF8_POEFO Loading...

Nedd4 family interacting protein 1, like

AlphaFold DB , UniProt , Accession A0A087XLF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M38.4Very low46.2Very low253 Ų253164.9 Ų164.9100%1.24686%0.857SS**  0111.70-94.3155.5158.500107.3
2A44.5Very low46.4Very low95 Ų95159.8 Ų159.879%0.78584%0.841SS**  trans-81.1139.8168.200000107.9
3E46.6Very low46.5Very low196 Ų196160.2 Ų160.292%0.91684%0.844SS**  trans-163.1136.9141.7-111.3167.8158.700112.2
4S48.4Very low46.4Very low105 Ų105162.1 Ų162.173%0.73485%0.847SS**  trans-74.7145.1-177.844.30000113.6
5S42.9Very low46.2Very low120 Ų120160.5 Ų160.584%0.83984%0.839SS**  trans-17098.5138.5-88.90000111.6R7S5-R7 PolarHBondContact O-N 3.45Å
6A49.2Very low45.6Very low84 Ų84160.4 Ų160.469%0.69484%0.84SS**  trans-74.3108158.500000107.8Y8A6-Y8 HydrophobicContact CB-CE2 4.23Å; A6-Y8 PolarHBondContact O-N 3.3Å
7R44.1Very low45.4Very low236 Ų236157 Ų15789%0.89183%0.833SS**  trans-83.398179.5-167.9-178.9-161.8177.94.3108.9S5S5-R7 PolarHBondContact O-N 3.45Å
8Y41.3Very low45Very low210 Ų210159.9 Ų159.982%0.82484%0.841SS**  trans-74.8131.1167.6-68.5-87.7000109.4A6A6-Y8 HydrophobicContact CB-CE2 4.23Å; A6-Y8 PolarHBondContact O-N 3.3Å
9Q54.7Low44.2Very low177 Ų177155.3 Ų155.383%0.82784%0.835SS**  trans-103.2107.7171.2-168.4150.8-20.200108.2
10Q48.2Very low43.7Very low185 Ų185153.9 Ų153.986%0.86484%0.838SS**PPolyproline II helixtrans-82.4122.9177.4-171.2164.2-15.300108.6
11L50.5Low43.7Very low153 Ų153152 Ų15280%0.80183%0.833SS**PPolyproline II helixtrans-79.2133.5173.2-73.1165.7000109.1N13L11-N13 PolarHBondContact O-N 3.01Å
12P48.7Very low43.9Very low103 Ų103148.6 Ų148.667%0.66982%0.815SS**PPolyproline II helixtrans-63.5130.1174.1-17.730.1000111.1
13N46.7Very low43.5Very low165 Ų165150.9 Ų150.988%0.88282%0.818SS**PPolyproline II helixtrans-75.2121.6154.9-78.9-15.9000107.1L11L11-N13 PolarHBondContact O-N 3.01Å
14E45.8Very low43.3Very low188 Ų188145.9 Ų145.988%0.87981%0.81SS**  trans-116.1103.6163.1-77.7178.6105.800107.7
15D43.5Very low43.2Very low137 Ų137145.5 Ų145.573%0.73381%0.814SS**  trans-68.8142.3157.7-107.4-64.1000109.4
16D35.7Very low43.4Very low159 Ų159147.9 Ų147.985%0.8582%0.817SS**  trans-18098.2140.7-91.8-34.4000107.8
17S43.4Very low43.8Very low103 Ų103147.5 Ų147.572%0.7281%0.814SS**  61.790.778.7-82.20000116.8
18E36.8Very low44.4Very low210 Ų210141.8 Ų141.898%0.98181%0.807SS**  trans-158.5139.8137.6-66.5-164.5105.900105.9
19G31Very low45.1Very low71 Ų71137.1 Ų137.173%0.73280%0.803SS**  cis170.81155.800000107.9
20S32.7Very low45.2Very low128 Ų128134.6 Ų134.690%0.89580%0.802SS**  trans76.5150.3153.9-64.30000123.6
21P45.3Very low45Very low113 Ų113136.6 Ų136.673%0.73480%0.803SS**  trans-114.2177.5-160.228.7-6.8000114.2
22Q41.9Very low44.8Very low183 Ų183134.8 Ų134.886%0.85580%0.803SS**  trans91.7120.7168-52-168.8-15.100116
23V36.3Very low44.6Very low142 Ų142134.9 Ų134.986%0.86181%0.807SS**  -168.6138.2113.2163.30000109.3
24A41.8Very low44.6Very low91 Ų91134.9 Ų134.975%0.75281%0.805SS**  trans72.396.7161.200000118.4D26A24-D26 PolarHBondContact O-N 3.22Å
25A47.4Very low44.3Very low98 Ų98130.1 Ų130.181%0.8180%0.798SS**  trans-54.3123.4152.700000110.6A27A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 2.79Å
26D46.1Very low44.7Very low170 Ų170127.5 Ų127.591%0.90980%0.795SS**  trans-76.687.6163.2-129.2-15000107A24A24-D26 PolarHBondContact O-N 3.22Å
27A58.8Low45.2Very low75 Ų75127.8 Ų127.862%0.6280%0.796SS**PPolyproline II helixtrans-72.8146.8174.900000109.8A25A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 2.79Å
28P55.6Low44.9Very low116 Ų116128.5 Ų128.575%0.75380%0.802SS**PPolyproline II helixtrans-60.5155173.926.5-33.5000111
29P55.3Low45.5Very low112 Ų112123.6 Ų123.673%0.72780%0.797SS**PPolyproline II helixtrans-57.5146.6-173.723.3-34000111.9Y31P29-Y31 PolarHBondContact O-N 3.27Å
30P57.6Low46.2Very low125 Ų125124.4 Ų124.481%0.81280%0.797SS**PPolyproline II helixtrans-62.4130179.524.9-31.7000110.2S32P30-S32 PolarHBondContact O-N 3.22Å
31Y43.4Very low46.5Very low226 Ų226128.2 Ų128.289%0.88679%0.793SS**PPolyproline II helixtrans-56.4120.8164.1-97.5-94.2000108.4P29 S33P29-Y31 PolarHBondContact O-N 3.27Å; Y31-S33 PolarHBondContact O-N 3.27Å
32S47.3Very low46.2Very low116 Ų116130.1 Ų130.181%0.81179%0.79SS**  trans-63.999.2167.4-172.50000108P30 I34P30-S32 PolarHBondContact O-N 3.22Å; S32-I34 PolarHBondContact O-N 3.37Å
33S44.9Very low46.2Very low105 Ų105128.1 Ų128.173%0.73479%0.785SS**  trans-69.6113.5165.648.60000107.7Y31 A35Y31-S33 PolarHBondContact O-N 3.27Å; S33-A35 PolarHBondContact O-N 2.9Å
34I45.3Very low46.3Very low165 Ų165131.7 Ų131.785%0.84679%0.785SS**  trans-56.1110.7168.7-113.8158000107.3S32 A36S32-I34 PolarHBondContact O-N 3.37Å; I34-A36 PolarHBondContact O-N 3.06Å
35A41.1Very low46.4Very low88 Ų88135.7 Ų135.773%0.72779%0.785SS**  trans-72.6119165.800000106.3S33 D37S33-A35 PolarHBondContact O-N 2.9Å; A35-D37 PolarHBondContact O-N 3.5Å
36A51.2Low46.2Very low82 Ų82140 Ų14068%0.67879%0.788SS**  trans-49.4118.6160.100000107.5I34I34-A36 PolarHBondContact O-N 3.06Å
37D46.1Very low46.1Very low164 Ų164139.2 Ų139.288%0.87778%0.784SS**  trans174.573.6154.2-79.7-20.3000109.8A35A35-D37 PolarHBondContact O-N 3.5Å
38S37.9Very low45.7Very low119 Ų119138.9 Ų138.983%0.83279%0.788SS**  trans-151.257.415544.70000109.7A40S38-A40 VanDerWaalsContact C-N 3.3Å; S38-A40 PolarHBondContact O-N 3.45Å
39A48.3Very low45.7Very low107 Ų107139.9 Ų139.988%0.88479%0.792SS**  trans-7186.7161.900000108.9
40A45.2Very low45.5Very low88 Ų88143.2 Ų143.273%0.72780%0.795SS**  trans174.473155.200000111.7S38S38-A40 VanDerWaalsContact C-N 3.3Å; S38-A40 PolarHBondContact O-N 3.45Å
41Y39.2Very low45.6Very low207 Ų207142.1 Ų142.181%0.81279%0.788SS**SBendtrans-154.290.9147.9-143.1-102.8000109.8
42F40.4Very low46.2Very low154 Ų154140.5 Ų140.568%0.67579%0.786SS**  trans58.593.6159.7-63.6-91.9000116.3
43D41.4Very low46.8Very low141 Ų141139.9 Ų139.975%0.75478%0.779SS**  33.483.180.8-15942.1000114.2
44Y38.2Very low47.2Very low217 Ų217140.8 Ų140.885%0.85178%0.782SS**  trans-126.7109.9140.8-98.4-91.3000106.9E46Y44-E46 PolarHBondContact O-N 3.36Å
45K44.1Very low47.8Very low174 Ų174136.6 Ų136.676%0.75777%0.767SS**  trans-51.5123.1156.3-84.4-162.5173.2-168.80109.2
46E42.3Very low48.3Very low189 Ų189142.7 Ų142.788%0.88377%0.773SS**  trans-145.299.9152.3-153.1165.3-164.900109.3Y44 G48Y44-E46 PolarHBondContact O-N 3.36Å; E46-G48 PolarHBondContact O-N 3.09Å
47D44Very low48.7Very low153 Ų153144.8 Ų144.882%0.81877%0.773SS**  trans-56.4125.8165.8-62.6-67.8000109.6
48G50.8Low49.1Very low68 Ų68143.5 Ų143.570%0.70177%0.771SS**SBendtrans134.787.815500000117.9E46E46-G48 PolarHBondContact O-N 3.09Å
49V56.3Low49.8Very low137 Ų137141.4 Ų141.483%0.8376%0.76SS**  trans60.883.4143.1-165.40000116.3
50F51.1Low50.1Low182 Ų182142 Ų14280%0.79875%0.753SS**PPolyproline II helixtrans-57124.8152.9-156.6-94.2000108.3K52F50-K52 PolarHBondContact O-N 2.92Å
51P59.1Low50.6Low102 Ų102144 Ų14466%0.66276%0.757SS**PPolyproline II helixtrans-61.8116.617524.4-30.3000107.3
52K57Low51.3Low193 Ų193141.7 Ų141.784%0.83976%0.758SS**PPolyproline II helixtrans-53.5130.9172-78.4165.2178.4169.40106.9F50F50-K52 PolarHBondContact O-N 2.92Å
53P58Low51.8Low102 Ų102139.5 Ų139.566%0.66276%0.759SS**PPolyproline II helixtrans-52.1142.8171.423.2-32.3000108.2S55P53-S55 PolarHBondContact O-N 3.04Å
54P54.4Low52.6Low124 Ų124136.6 Ų136.681%0.80575%0.749SS**PPolyproline II helixtrans-49.2131.2-178.619-30.9000109.5Y56P54-Y56 PolarHBondContact O-N 3.44Å
55S57.2Low53.1Low77 Ų77135 Ų13554%0.53874%0.743SS.*PPolyproline II helixtrans-58.4130.2-175.7110.20000109.3P53 N57P53-S55 PolarHBondContact O-N 3.04Å; S55-N57 PolarHBondContact O-N 3.35Å; S55-N57 PolarHBondContact OG-ND2 3.36Å
56Y53.2Low53.7Low216 Ų216132.2 Ų132.285%0.84774%0.736SS**THydrogen-bonded Turntrans-73.541.6-178.8-142.6-91.4000112.5P54P54-Y56 PolarHBondContact O-N 3.44Å
57N59.5Low54.3Low126 Ų126130.1 Ų130.167%0.67473%0.727SS**THydrogen-bonded Turntrans-113.312.4175.9-64.1-58.6000112S55S55-N57 PolarHBondContact O-N 3.35Å; S55-N57 PolarHBondContact OG-ND2 3.36Å
58V54Low54.7Low138 Ų138126.3 Ų126.384%0.83672%0.716SS**SBendtrans-103.539.9173.9-166.80000109.9
59A52.2Low54.8Low74 Ų74128.7 Ų128.761%0.61271%0.709SS**SBendtrans-144.628.9178.700000112.9
60T53.8Low54.6Low119 Ų119130.9 Ų130.973%0.7370%0.703SS**SBendtrans-130.83.7176.759.70000115.2
61T55.8Low54.7Low132 Ų132127.2 Ų127.281%0.8170%0.696SS**  trans-108.780163.159.90000108.7
62L55.6Low54.3Low158 Ų158131.2 Ų131.283%0.82770%0.703SS**PPolyproline II helixtrans-47.1133159.9-69.4160.9000108S64L62-S64 PolarHBondContact O-N 2.86Å
63P50.6Low54Low108 Ų108124.8 Ų124.870%0.70169%0.685SS**PPolyproline II helixtrans-49.7135163.6-2433.6000108.9Y65P63-Y65 PolarHBondContact O-N 3.34Å
64S57.3Low53.5Low79 Ų79127.6 Ų127.655%0.55269%0.69SS**PPolyproline II helixtrans-58.2134.7178.3-163.40000109.2L62 D66 E67L62-S64 PolarHBondContact O-N 2.86Å; S64-D66 PolarHBondContact O-N 3.37Å; S64-D66 PolarHBondContact OG-OD2 3.18Å; S64-E67 PolarHBondContact O-N 3.47Å
65Y48.7Very low53.1Low184 Ų184127.9 Ų127.972%0.72269%0.689SS**Hα-helixtrans-51.7-21.3-176-168.7-98.7000113.7P63 E67P63-Y65 PolarHBondContact O-N 3.34Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 3.4Å
66D57.4Low52.8Low115 Ų115128.2 Ų128.262%0.61569%0.691SS**Hα-helixtrans-73.4-17.6-179.5-52.8-58.2000114.8S64S64-D66 PolarHBondContact O-N 3.37Å; S64-D66 PolarHBondContact OG-OD2 3.18Å
67E54.7Low52.2Low145 Ų145122.2 Ų122.268%0.67869%0.687SS**Hα-helixtrans-92.1-26.8-177.3-146.1169.8-158.300112.6S64 Y65 E69 R70S64-E67 PolarHBondContact O-N 3.47Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 3.4Å; E67-E69 PolarHBondContact O-N 2.99Å; E67-R70 PolarHBondContact O-N 3.33Å
68A52.3Low51.5Low73 Ų73121.9 Ų121.960%0.60369%0.691SS**Hα-helixtrans-75.1-21.9178.900000113.8
69E52.5Low50.7Low119 Ų119123.5 Ų123.556%0.55669%0.694SS**Hα-helixtrans-76-24.5175.6-71.1-163.8146.400112.8E67 A73E67-E69 PolarHBondContact O-N 2.99Å; E69-A73 PolarHBondContact O-N 3.18Å
70R52.8Low49.9Very low182 Ų182125.9 Ų125.969%0.68770%0.701SS**Hα-helixtrans-77.5-32.4179.6-67.3-148.3175.9128.93.9113.5E67 K72 A73 E74E67-R70 PolarHBondContact O-N 3.33Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.22Å; R70-A73 PolarHBondContact O-N 2.72Å; R70-A73 VanDerWaalsContact O-N 3.09Å; R70-E74 PolarHBondContact O-N 2.94Å
71T52.5Low48.9Very low106 Ų106127.2 Ų127.265%0.6571%0.709SS**Hα-helixtrans-68.6-27.5176.3-31.10000112.3
72K51Low47.8Very low186 Ų186124 Ų12481%0.80970%0.703SS**Hα-helixtrans-76.6-24.7171.7-116.8-175.4-177.8-175.20113.2R70R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.22Å
73A51.1Low47.2Very low58 Ų58128 Ų12848%0.47971%0.707SS.*Hα-helixtrans-93.9-24-17800000114.1E69 R70 S76E69-A73 PolarHBondContact O-N 3.18Å; R70-A73 PolarHBondContact O-N 2.72Å; R70-A73 VanDerWaalsContact O-N 3.09Å; A73-S76 PolarHBondContact O-N 3.17Å; A73-S76 PolarHBondContact O-OG 3.47Å
74E47.5Very low46.2Very low160 Ų160131 Ų13175%0.74871%0.712SS**THydrogen-bonded Turntrans-84.8-8.5178.4-76.4-175.8173.100114.3R70 S76R70-E74 PolarHBondContact O-N 2.94Å; E74-S76 VanDerWaalsContact C-N 3.26Å
75T46.4Very low45.6Very low130 Ų130133 Ų13380%0.79872%0.722SS**THydrogen-bonded Turntrans-86.7-0.2167.3-47.20000111.9
76S50.1Low45Very low84 Ų84132.7 Ų132.759%0.58773%0.727SS**SBendtrans-117.564.2179.5590000113A73 E74A73-S76 PolarHBondContact O-N 3.17Å; A73-S76 PolarHBondContact O-OG 3.47Å; E74-S76 VanDerWaalsContact C-N 3.26Å
77A39.5Very low44Very low90 Ų90134.7 Ų134.774%0.74473%0.733SS**  trans-173151.4150.600000112.7
78P46Very low43.4Very low119 Ų119136.4 Ų136.477%0.77373%0.733SS**  trans-123.1157.5-133.538-24.5000116
79L36.5Very low43.1Very low172 Ų172140.4 Ų140.490%0.90174%0.739SS**  trans-147.588.4154.6-155.375.4000113.3
80V35Very low42.8Very low124 Ų124145.9 Ų145.975%0.75276%0.755SS**  trans33.4107.4139-174.10000118.5
81T33Very low42.5Very low148 Ų148145 Ų14591%0.90876%0.763SS**  -144.8125119.8-51.60000108.7
82G33.6Very low42.2Very low65 Ų65147.4 Ų147.467%0.6777%0.766SS**SBendtrans103.258.1157.900000119.4Q84G82-Q84 PolarHBondContact O-N 3.39Å
83R41.7Very low42.4Very low241 Ų241142.9 Ų142.991%0.90976%0.755SS**  trans21.597.1137.3-160.2178.9-162.1146.62.4118
84Q30.9Very low42.4Very low172 Ų172148.3 Ų148.380%0.80477%0.768SS**  171.7125.9120.5-94.2-167.952.200111.8G82G82-Q84 PolarHBondContact O-N 3.39Å
85P45.1Very low42.3Very low119 Ų119146.7 Ų146.777%0.77376%0.764SS**  trans-115.3119.3167.634.3-19.9000112.3
86H36.4Very low42.7Very low178 Ų178145.7 Ų145.782%0.82475%0.754SS**  trans-140.9102148.9-78.7-75.8000104.3
87H36Very low42.9Very low158 Ų158146.3 Ų146.373%0.73175%0.749SS**  43.1112.785-150.123.3000109.9
88R41.3Very low43.8Very low181 Ų181143.9 Ų143.968%0.68372%0.723SS**  cis179.2119.140.5174.464.3136.4157.86.1107.6
89E45.4Very low44Very low156 Ų156143.3 Ų143.373%0.72971%0.71SS**  trans19.1100.5146.8-58.6175.6121.600118.9
90R47.3Very low44.8Very low235 Ų235137.7 Ų137.789%0.88769%0.686SS**SBendtrans-164.9-6.3147.4-152.3149-166.9177.74.5117.1
91L45.8Very low45.7Very low164 Ų164135 Ų13586%0.85967%0.672SS**SBendtrans-123.625.9-167-150.691.8000114.8
92E47.1Very low46.6Very low156 Ų156131.2 Ų131.273%0.72965%0.646SS**SBendtrans-117.2-16.8177.4-60.4-156.7156.200112.7F94 D96E92-F94 PolarHBondContact O-N 2.87Å; E92-D96 PolarHBondContact O-N 3.47Å
93T53.7Low47.4Very low91 Ų91133.6 Ų133.656%0.55864%0.64SS**Hα-helixtrans-71.4-27.2179.9-44.20000113.4I97T93-I97 HydrophobicContact CG2-CD1 3.62Å; T93-I97 HydrophobicContact CG2-CG1 4.42Å; T93-I97 VanDerWaalsContact O-CB 3.3Å; T93-I97 WeakPolarHBondContact O-CB 3.39Å; T93-I97 WeakPolarHBondContact O-CD1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.4Å; T93-I97 PolarHBondContact O-N 2.94Å
94F52.6Low47.7Very low172 Ų172127.7 Ų127.775%0.75463%0.626SS**Hα-helixtrans-79.2-45.9-178.4-97.7-94.3000112.3E92 D96 I97 I98E92-F94 PolarHBondContact O-N 2.87Å; F94-D96 PolarHBondContact O-N 3.42Å; F94-I97 PolarHBondContact O-N 3.07Å; F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 3.41Å
95D45.2Very low48.5Very low125 Ų125123 Ų12367%0.66860%0.604SS**Hα-helixtrans-68.1-37.2-177.7-109-23000111.9I98 H99D95-I98 PolarHBondContact O-N 2.7Å; D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.84Å
96D53.9Low48.7Very low109 Ų109123 Ų12358%0.58360%0.598SS**Hα-helixtrans-69.1-40176.9-72.9-18.4000112.9E92 F94 I98 H99 S100E92-D96 PolarHBondContact O-N 3.47Å; F94-D96 PolarHBondContact O-N 3.42Å; D96-I98 VanDerWaalsContact C-N 3.29Å; D96-I98 PolarHBondContact O-N 3.11Å; D96-H99 PolarHBondContact O-N 3.5Å; D96-S100 WeakPolarHBondContact O-CB 3.34Å; D96-S100 PolarHBondContact O-N 3.16Å; D96-S100 PolarHBondContact O-OG 3.34Å
97I55.6Low48.7Very low97 Ų97123.6 Ų123.650%0.49760%0.598SS.*Hα-helixtrans-65.9-36174.6-72.2172.7000110.9T93 F94 S100 S101T93-I97 HydrophobicContact CG2-CD1 3.62Å; T93-I97 HydrophobicContact CG2-CG1 4.42Å; T93-I97 VanDerWaalsContact O-CB 3.3Å; T93-I97 WeakPolarHBondContact O-CB 3.39Å; T93-I97 WeakPolarHBondContact O-CD1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.4Å; T93-I97 PolarHBondContact O-N 2.94Å; F94-I97 PolarHBondContact O-N 3.07Å; I97-S100 PolarHBondContact O-OG 3.03Å; I97-S101 WeakPolarHBondContact O-CB 3.37Å; I97-S101 PolarHBondContact O-N 3.47Å
98I56.8Low49.2Very low39 Ų39120.9 Ų120.920%0.259%0.592CS.*Hα-helixtrans-69.1-41175-69.3-39.3000110.5F94 D95 D96 L102 R203F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 3.41Å; D95-I98 PolarHBondContact O-N 2.7Å; D96-I98 VanDerWaalsContact C-N 3.29Å; D96-I98 PolarHBondContact O-N 3.11Å; I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 WeakPolarHBondContact O-CD1 3.41Å; I98-L102 WeakPolarHBondContact O-CG 3.08Å; I98-L102 PolarHBondContact O-N 3.45Å; I98-L102 VanDerWaalsContact O-N 3.16Å; I98-R203 VanDerWaalsContact CG1-NH2 3.29Å
99H51.8Low49.7Very low108 Ų108115.9 Ų115.950%0.558%0.582SS.*Hα-helixtrans-65.6-44.6177.6-161.8-80.1000111.8D95 D96 S101 L102 E103D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.84Å; D96-H99 PolarHBondContact O-N 3.5Å; H99-S101 PolarHBondContact O-N 3.22Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 3.5Å; H99-L102 VanDerWaalsContact O-N 3.1Å; H99-E103 VanDerWaalsContact CE1-CD 3.43Å; H99-E103 IonicContact CE1-OE1 3.41Å; H99-E103 PolarHBondContact CE1-OE1 3.22Å; H99-E103 IonicContact CE1-OE2 3.47Å; H99-E103 PolarHBondContact CE1-OE2 3.26Å; H99-E103 VanDerWaalsContact ND1-CD 3.28Å; H99-E103 IonicContact ND1-OE1 3.67Å; H99-E103 IonicContact ND1-OE2 2.87Å; H99-E103 PolarHBondContact ND1-OE2 3.01Å; H99-E103 PolarHBondContact O-N 3.09Å; H99-E103 VanDerWaalsContact O-N 3.09Å
100S52.9Low49.6Very low54 Ų54118.4 Ų118.438%0.37859%0.585SS.*Hα-helixtrans-64.9-40.8178.178.70000111.9D96 I97 L102 E103 D104D96-S100 WeakPolarHBondContact O-CB 3.34Å; D96-S100 PolarHBondContact O-N 3.16Å; D96-S100 PolarHBondContact O-OG 3.34Å; I97-S100 PolarHBondContact O-OG 3.03Å; S100-L102 PolarHBondContact O-N 3.46Å; S100-E103 PolarHBondContact O-N 2.98Å; S100-D104 PolarHBondContact O-N 3.36Å; S100-D104 VanDerWaalsContact O-N 3.09Å
101S53.7Low49.5Very low67 Ų67114.5 Ų114.547%0.46958%0.582SS.*Hα-helixtrans-67.9-17.9176.1-175.80000113.2I97 H99 E105I97-S101 WeakPolarHBondContact O-CB 3.37Å; I97-S101 PolarHBondContact O-N 3.47Å; H99-S101 PolarHBondContact O-N 3.22Å; S101-E105 WeakPolarHBondContact O-CG 3.15Å
102L51.2Low49.6Very low69 Ų69112.3 Ų112.336%0.36157%0.571SS.*Hα-helixtrans-84-37.5173.3-70168.7000111.1I98 H99 S100 Y156I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 WeakPolarHBondContact O-CD1 3.41Å; I98-L102 WeakPolarHBondContact O-CG 3.08Å; I98-L102 PolarHBondContact O-N 3.45Å; I98-L102 VanDerWaalsContact O-N 3.16Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 3.5Å; H99-L102 VanDerWaalsContact O-N 3.1Å; S100-L102 PolarHBondContact O-N 3.46Å; L102-Y156 HydrophobicContact CD2-CE1 3.84Å; L102-Y156 WeakPolarHBondContact CD2-OH 3.48Å
103E50.3Low49.1Very low115 Ų115114.6 Ų114.654%0.53758%0.579SS.*Hα-helixtrans-72.2-33.4179.9-70.6172.8123.800112.9H99 S100 E105H99-E103 VanDerWaalsContact CE1-CD 3.43Å; H99-E103 IonicContact CE1-OE1 3.41Å; H99-E103 PolarHBondContact CE1-OE1 3.22Å; H99-E103 IonicContact CE1-OE2 3.47Å; H99-E103 PolarHBondContact CE1-OE2 3.26Å; H99-E103 VanDerWaalsContact ND1-CD 3.28Å; H99-E103 IonicContact ND1-OE1 3.67Å; H99-E103 IonicContact ND1-OE2 2.87Å; H99-E103 PolarHBondContact ND1-OE2 3.01Å; H99-E103 PolarHBondContact O-N 3.09Å; H99-E103 VanDerWaalsContact O-N 3.09Å; S100-E103 PolarHBondContact O-N 2.98Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.39Å
104D47.9Very low49.1Very low116 Ų116115.3 Ų115.362%0.6258%0.579SS**THydrogen-bonded Turntrans-70.1-22.5179.7-72.1-36.1000113.5S100S100-D104 PolarHBondContact O-N 3.36Å; S100-D104 VanDerWaalsContact O-N 3.09Å
105E48.3Very low49.1Very low74 Ų74111.2 Ų111.235%0.34657%0.565SS.*THydrogen-bonded Turntrans-88.1-21-177-67.4-78.9124.500113.3S101 E103 F107 R155S101-E105 WeakPolarHBondContact O-CG 3.15Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.39Å; E105-F107 PolarHBondContact O-N 3.14Å; E105-R155 IonicContact OE2-CZ 3.85Å; E105-R155 IonicContact OE2-NH1 2.72Å; E105-R155 PolarHBondContact OE2-NH1 2.78Å
106D49.1Very low49.1Very low119 Ų119109.2 Ų109.264%0.63657%0.566SS**THydrogen-bonded Turntrans-72.7-13.3177.2-78.4-24.4000112.8T109D106-T109 VanDerWaalsContact C-OG1 3.25Å; D106-T109 WeakPolarHBondContact CA-OG1 3.05Å; D106-T109 PolarHBondContact O-OG1 3.48Å
107F35.8Very low49Very low191 Ų191110.5 Ų110.584%0.83857%0.573SS**THydrogen-bonded Turntrans-83.3-17.4179.7-172.9-107000113.5E105E105-F107 PolarHBondContact O-N 3.14Å
108V48.3Very low48.7Very low100 Ų100108 Ų10861%0.60656%0.559SS**SBendtrans-99.4-2-175.9-1710000112.3R110V108-R110 PolarHBondContact O-N 3.35Å; V108-R110 VanDerWaalsContact O-N 3.14Å
109T50.8Low48.5Very low76 Ų76112.5 Ų112.547%0.46658%0.583SS.*  trans-85.363.8-176.421.80000114.1D106 A152D106-T109 VanDerWaalsContact C-OG1 3.25Å; D106-T109 WeakPolarHBondContact CA-OG1 3.05Å; D106-T109 PolarHBondContact O-OG1 3.48Å; T109-A152 HydrophobicContact CG2-CB 3.77Å
110R43.7Very low48.4Very low209 Ų209118.2 Ų118.279%0.78960%0.6SS**  trans-131.154.5172.2-168.1145.464.2141.2-1.3113.1V108V108-R110 PolarHBondContact O-N 3.35Å; V108-R110 VanDerWaalsContact O-N 3.14Å
111D44.9Very low48.2Very low154 Ų154122.1 Ų122.182%0.82462%0.615SS**  trans-124.684.2164.9-82.6-57.4000108.7F113D111-F113 PolarHBondContact O-N 3.49Å
112D48.3Very low48.1Very low118 Ų118119.8 Ų119.863%0.63160%0.601SS**  trans-86.267.5-172.4-78.3-83.9000114.3
113F36.5Very low48.5Very low204 Ų204122.2 Ų122.290%0.89562%0.615SS**  trans-141.24.7176-125.4-89.8000119.6D111D111-F113 PolarHBondContact O-N 3.49Å
114D53.8Low49.2Very low106 Ų106119.1 Ų119.157%0.56760%0.602SS**SBendtrans-111.83.9-178.7-101.4-62.8000114.7A116 Q118D114-A116 PolarHBondContact O-N 3.01Å; D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 2.85Å
115D52.3Low50.1Low85 Ų85114.8 Ų114.846%0.45559%0.585SS.*Hα-helixtrans-68-24.2-166.2-67-69000115.5L119D115-L119 HydrophobicContact CB-CD1 4.33Å; D115-L119 WeakPolarHBondContact O-CB 3.49Å; D115-L119 WeakPolarHBondContact O-CD1 3.18Å; D115-L119 PolarHBondContact O-N 3.27Å; D115-L119 VanDerWaalsContact O-N 3.14Å
116A45.5Very low51.2Low83 Ų83113.6 Ų113.669%0.68658%0.58SS**Hα-helixtrans-76.3-37.7-171.500000114.3D114D114-A116 PolarHBondContact O-N 3.01Å
117D52Low52.2Low137 Ų137109.2 Ų109.273%0.73356%0.555SS**Hα-helixtrans-93.6-25.5178.1-71-31000111.8
118Q49.3Very low53.9Low45 Ų45103.6 Ų103.621%0.2153%0.533CS..Hα-helixtrans-69.9-28.4172.4-170.3172.5-2.300112.8D114 R120 G122D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 2.85Å; Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 3.16Å; Q118-G122 WeakPolarHBondContact O-CA 3.3Å; Q118-G122 PolarHBondContact O-N 2.84Å
119L51.6Low55Low132 Ų132102.9 Ų102.969%0.69153%0.525SS*.Hα-helixtrans-67.8-24.6178.1-112.989.6000114.4D115D115-L119 HydrophobicContact CB-CD1 4.33Å; D115-L119 WeakPolarHBondContact O-CB 3.49Å; D115-L119 WeakPolarHBondContact O-CD1 3.18Å; D115-L119 PolarHBondContact O-N 3.27Å; D115-L119 VanDerWaalsContact O-N 3.14Å
120R51.2Low56Low228 Ų22899.4 Ų99.486%0.8650%0.504SS*.Hα-helixtrans-96.9-26.1-178.2-72.3177.670-159.31.9114Q118Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 3.16Å
121I48.6Very low57.3Low137 Ų13790.9 Ų90.970%0.70347%0.473SS*.Hα-helixtrans-101.9-20176.6-112.772.1000112.1G125I121-G125 WeakPolarHBondContact O-CA 3.18Å
122G50.9Low58.4Low17 Ų1788.9 Ų88.918%0.17546%0.457CS..THydrogen-bonded Turntrans-114.317.2-160.300000117.1Q118 D124Q118-G122 WeakPolarHBondContact O-CA 3.3Å; Q118-G122 PolarHBondContact O-N 2.84Å; G122-D124 PolarHBondContact O-N 3.46Å
123N59.8Low59.3Low121 Ų12185.9 Ų85.965%0.64744%0.44SS*.THydrogen-bonded Turntrans-57.2-41.6168.7-177.668000111.3
124D64.9Low61Low50 Ų5076.2 Ų76.227%0.26740%0.398SS..THydrogen-bonded Turntrans-130.2-14.9175.9-53-74.3000111.7G122 M128 Y208G122-D124 PolarHBondContact O-N 3.46Å; D124-M128 VanDerWaalsContact O-CB 3.28Å; D124-M128 WeakPolarHBondContact O-CB 3.41Å; D124-M128 WeakPolarHBondContact O-CG 3.46Å; D124-M128 PolarHBondContact O-N 3.34Å; D124-Y208 HydrophobicContact CB-CE2 3.92Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.13Å; D124-Y208 PolarHBondContact OD1-OH 3.09Å
125G66.8Low61.5Low25 Ų2574.2 Ų74.226%0.25838%0.384SS..Hα-helixtrans-66.9-45.3-168.800000113.2I121 F127 M128 L129I121-G125 WeakPolarHBondContact O-CA 3.18Å; G125-F127 VanDerWaalsContact C-N 3.34Å; G125-F127 PolarHBondContact O-N 3.05Å; G125-M128 PolarHBondContact O-N 3.33Å; G125-L129 WeakPolarHBondContact O-CA 3.07Å; G125-L129 WeakPolarHBondContact O-CB 3.29Å; G125-L129 PolarHBondContact O-N 2.94Å
126I70.6Confident62.2Low49 Ų4973.8 Ų73.825%0.25138%0.381SS..Hα-helixtrans-67.2-37.8-176.6-143.777.3000111.5T130 A153I126-T130 WeakPolarHBondContact O-CB 3.25Å; I126-T130 PolarHBondContact O-N 3.1Å; I126-T130 VanDerWaalsContact O-N 3.14Å; I126-T130 PolarHBondContact O-OG1 3.37Å; I126-A153 HydrophobicContact CG2-CB 4.09Å
127F71.3Confident63Low26 Ų2674.9 Ų74.911%0.11437%0.371CS..Hα-helixtrans-68.6-49.7175.8174.8-95.8000111.2G125 F131 G204 Y208G125-F127 VanDerWaalsContact C-N 3.34Å; G125-F127 PolarHBondContact O-N 3.05Å; F127-F131 WeakPolarHBondContact O-CB 3.3Å; F127-F131 PolarHBondContact O-N 2.82Å; F127-G204 WeakPolarHBondContact CZ-O 3.48Å; F127-Y208 AromaticContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CE2 4.22Å; F127-Y208 AromaticContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CE1-CD1 4.47Å; F127-Y208 AromaticContact CE1-CD2 3.79Å; F127-Y208 HydrophobicContact CE1-CD2 3.79Å; F127-Y208 AromaticContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CG-CD2 4.23Å; F127-Y208 HydrophobicContact CZ-CG 4.39Å
128M71.3Confident64Low73 Ų7372.1 Ų72.136%0.3636%0.356SS..Hα-helixtrans-66.8-35.8179.3-70.8-70.3-176.800112.7D124 G125 F132 Y208D124-M128 VanDerWaalsContact O-CB 3.28Å; D124-M128 WeakPolarHBondContact O-CB 3.41Å; D124-M128 WeakPolarHBondContact O-CG 3.46Å; D124-M128 PolarHBondContact O-N 3.34Å; G125-M128 PolarHBondContact O-N 3.33Å; M128-F132 WeakPolarHBondContact O-CB 3.42Å; M128-F132 PolarHBondContact O-N 3.28Å; M128-Y208 HydrophobicContact CE-CD1 4.05Å; M128-Y208 HydrophobicContact CE-CE1 3.51Å; M128-Y208 HydrophobicContact CE-CE2 4.1Å
129L70.6Confident64.3Low85 Ų8580 Ų8045%0.44538%0.384SS..Hα-helixtrans-67.4-49.6179.4-178.772.4000110.7G125 F132 M133G125-L129 WeakPolarHBondContact O-CA 3.07Å; G125-L129 WeakPolarHBondContact O-CB 3.29Å; G125-L129 PolarHBondContact O-N 2.94Å; L129-F132 PolarHBondContact O-N 2.88Å; L129-M133 VanDerWaalsContact O-CB 3.25Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 VanDerWaalsContact O-CG 3.25Å; L129-M133 WeakPolarHBondContact O-CG 3.35Å; L129-M133 PolarHBondContact O-N 3.21Å
130T73Confident64.5Low4 Ų479 Ų793%0.02538%0.378CS..Hα-helixtrans-70-37.7-179.6-50.90000111.2I126 A134 S145 A158I126-T130 WeakPolarHBondContact O-CB 3.25Å; I126-T130 PolarHBondContact O-N 3.1Å; I126-T130 VanDerWaalsContact O-N 3.14Å; I126-T130 PolarHBondContact O-OG1 3.37Å; T130-A134 VanDerWaalsContact O-CB 3.31Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 3.25Å; T130-S145 WeakPolarHBondContact CG2-OG 3.49Å; T130-S145 PolarHBondContact O-OG 3.42Å; T130-A158 HydrophobicContact CG2-CB 4.1Å
131F70.6Confident65.2Low29 Ų2968.1 Ų68.113%0.12734%0.337CS..Hα-helixtrans-59-47.5171.2166.7-102.3000112.8F127 F135 G157 S160 L164 F201F127-F131 WeakPolarHBondContact O-CB 3.3Å; F127-F131 PolarHBondContact O-N 2.82Å; F131-F135 WeakPolarHBondContact O-CB 3.21Å; F131-F135 PolarHBondContact O-N 2.89Å; F131-F135 VanDerWaalsContact O-N 3.08Å; F131-G157 WeakPolarHBondContact CA-O 3Å; F131-S160 WeakPolarHBondContact CD2-OG 3.33Å; F131-L164 HydrophobicContact CE1-CD1 4.25Å; F131-L164 HydrophobicContact CE2-CD1 3.54Å; F131-L164 HydrophobicContact CE2-CG 4.03Å; F131-L164 HydrophobicContact CZ-CD1 3.22Å; F131-L164 HydrophobicContact CZ-CG 4.19Å; F131-F201 HydrophobicContact CE1-CE2 4.48Å; F131-F201 AromaticContact CE2-CD2 3.61Å; F131-F201 HydrophobicContact CE2-CD2 3.61Å; F131-F201 AromaticContact CE2-CE2 3.58Å; F131-F201 HydrophobicContact CE2-CE2 3.58Å; F131-F201 AromaticContact CZ-CD2 3.86Å; F131-F201 HydrophobicContact CZ-CD2 3.86Å; F131-F201 AromaticContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CZ 4.41Å
132F68.1Low65.9Low112 Ų11265.2 Ų65.249%0.49132%0.319SS..Hα-helixtrans-74.1-37.8-177.6-168.3-107.1000112.5M128 L129 A134 F135 L136M128-F132 WeakPolarHBondContact O-CB 3.42Å; M128-F132 PolarHBondContact O-N 3.28Å; L129-F132 PolarHBondContact O-N 2.88Å; F132-A134 VanDerWaalsContact C-N 3.35Å; F132-F135 PolarHBondContact O-N 2.91Å; F132-L136 HydrophobicContact CD1-CD1 3.77Å; F132-L136 HydrophobicContact CD1-CG 4.32Å; F132-L136 HydrophobicContact CE1-CD1 3.24Å; F132-L136 HydrophobicContact CE1-CG 4.04Å; F132-L136 HydrophobicContact CE2-CD1 4.37Å; F132-L136 HydrophobicContact CE2-CD2 4.49Å; F132-L136 HydrophobicContact CE2-CG 4.41Å; F132-L136 HydrophobicContact CZ-CD1 3.59Å; F132-L136 HydrophobicContact CZ-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CG 4.09Å; F132-L136 PolarHBondContact O-N 2.9Å; F132-L136 VanDerWaalsContact O-N 3.09Å
133M66.6Low66.3Low55 Ų5571.6 Ų71.627%0.27134%0.343SS..Hα-helixtrans-61.1-42172.6-79.8-67.4-17700111.7L129 F137 G141 L144L129-M133 VanDerWaalsContact O-CB 3.25Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 VanDerWaalsContact O-CG 3.25Å; L129-M133 WeakPolarHBondContact O-CG 3.35Å; L129-M133 PolarHBondContact O-N 3.21Å; M133-F137 WeakPolarHBondContact O-CD2 3.16Å; M133-F137 HydrophobicContact SD-CD2 4.08Å; M133-F137 HydrophobicContact SD-CE2 3.72Å; M133-G141 VanDerWaalsContact O-CA 3.32Å; M133-G141 WeakPolarHBondContact O-CA 3.42Å; M133-L144 HydrophobicContact CG-CD2 4.45Å; M133-L144 HydrophobicContact SD-CD2 4.03Å
134A71.6Confident66.3Low2 Ų269.3 Ų69.32%0.01733%0.33CS..Hα-helixtrans-67.9-34.8175.300000113.1T130 F132T130-A134 VanDerWaalsContact O-CB 3.31Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 3.25Å; F132-A134 VanDerWaalsContact C-N 3.35Å
135F65.9Low66.2Low64 Ų6467 Ų6728%0.28132%0.318SS..Hα-helixtrans-69.2-44179.2171.6-115.4000113.8F131 F132 L164 K168F131-F135 WeakPolarHBondContact O-CB 3.21Å; F131-F135 PolarHBondContact O-N 2.89Å; F131-F135 VanDerWaalsContact O-N 3.08Å; F132-F135 PolarHBondContact O-N 2.91Å; F135-L164 HydrophobicContact CD2-CB 3.43Å; F135-L164 VanDerWaalsContact CD2-CB 3.43Å; F135-L164 HydrophobicContact CD2-CD1 3.92Å; F135-L164 HydrophobicContact CD2-CG 4.36Å; F135-L164 HydrophobicContact CE2-CB 3.98Å; F135-L164 HydrophobicContact CE2-CD1 4.28Å; F135-L164 HydrophobicContact CG-CB 4.33Å; F135-L164 HydrophobicContact CG-CD1 4.31Å; F135-K168 HydrophobicContact CE2-CD 4.43Å; F135-K168 PolarHBondContact O-NZ 2.89Å
136L66Low65.9Low76 Ų7672.6 Ų72.640%0.39834%0.335SS..Hα-helixtrans-74.1-39.7-173.3-70.1-175.9000112.7F132 K168F132-L136 HydrophobicContact CD1-CD1 3.77Å; F132-L136 HydrophobicContact CD1-CG 4.32Å; F132-L136 HydrophobicContact CE1-CD1 3.24Å; F132-L136 HydrophobicContact CE1-CG 4.04Å; F132-L136 HydrophobicContact CE2-CD1 4.37Å; F132-L136 HydrophobicContact CE2-CD2 4.49Å; F132-L136 HydrophobicContact CE2-CG 4.41Å; F132-L136 HydrophobicContact CZ-CD1 3.59Å; F132-L136 HydrophobicContact CZ-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CG 4.09Å; F132-L136 PolarHBondContact O-N 2.9Å; F132-L136 VanDerWaalsContact O-N 3.09Å; L136-K168 PolarHBondContact O-NZ 3.47Å; L136-K168 VanDerWaalsContact O-NZ 3.09Å
137F62Low64.9Low105 Ų10574.9 Ų74.946%0.46135%0.354SS..SBendtrans-97.914-163.8-73.2-78.5000116M133 W139 I140 G141M133-F137 WeakPolarHBondContact O-CD2 3.16Å; M133-F137 HydrophobicContact SD-CD2 4.08Å; M133-F137 HydrophobicContact SD-CE2 3.72Å; F137-W139 PolarHBondContact O-N 2.72Å; F137-I140 HydrophobicContact CB-CB 4.16Å; F137-I140 HydrophobicContact CB-CG2 3.89Å; F137-I140 HydrophobicContact CD1-CG2 3.96Å; F137-I140 HydrophobicContact CG-CG2 4.11Å; F137-I140 PolarHBondContact O-N 3.37Å; F137-G141 PolarHBondContact O-N 3.27Å
138N73.1Confident64.4Low79 Ų7978.2 Ų78.242%0.42237%0.373SS..THydrogen-bonded Turntrans56.2-79.2172.6-163.734000114.7S165N138-S165 PolarHBondContact O-OG 3.09Å; N138-S165 VanDerWaalsContact O-OG 3.11Å
139W55.9Low63.9Low211 Ų21176.3 Ų76.380%0.79937%0.366SS*.THydrogen-bonded Turntrans-112.1-31.3176.1-155.2-2.4000112.9F137 G141 F143F137-W139 PolarHBondContact O-N 2.72Å; W139-G141 VanDerWaalsContact C-N 3.31Å; W139-G141 PolarHBondContact O-N 3.48Å; W139-F143 PolarHBondContact O-N 3.37Å
140I55.9Low63.3Low110 Ų11077.6 Ų77.656%0.56438%0.377SS*.Hα-helixtrans-67.1-35.4173.7-91.765.9000110.5F137 F142 F143 L144F137-I140 HydrophobicContact CB-CB 4.16Å; F137-I140 HydrophobicContact CB-CG2 3.89Å; F137-I140 HydrophobicContact CD1-CG2 3.96Å; F137-I140 HydrophobicContact CG-CG2 4.11Å; F137-I140 PolarHBondContact O-N 3.37Å; I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 3.39Å; I140-F143 PolarHBondContact O-N 3.04Å; I140-L144 VanDerWaalsContact O-CB 3.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 PolarHBondContact O-N 3.39Å
141G66.1Low62.3Low0 Ų079.6 Ų79.60%039%0.391CS..Hα-helixtrans-69.4-31.8-177.400000113.5M133 F137 W139 S145M133-G141 VanDerWaalsContact O-CA 3.32Å; M133-G141 WeakPolarHBondContact O-CA 3.42Å; F137-G141 PolarHBondContact O-N 3.27Å; W139-G141 VanDerWaalsContact C-N 3.31Å; W139-G141 PolarHBondContact O-N 3.48Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.21Å; G141-S145 PolarHBondContact O-OG 3.14Å
142F62.6Low61.4Low76 Ų7679.5 Ų79.533%0.33340%0.396SS..Hα-helixtrans-68.9-43.5173.6-175.1-99.3000110.9I140 S145 F146 F162I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 3.39Å; F142-S145 PolarHBondContact O-N 3.22Å; F142-F146 HydrophobicContact CE1-CD2 4.06Å; F142-F146 HydrophobicContact CE1-CE2 4.22Å; F142-F146 HydrophobicContact CZ-CD2 4.11Å; F142-F146 AromaticContact CZ-CE2 3.99Å; F142-F146 HydrophobicContact CZ-CE2 3.99Å; F142-F146 PolarHBondContact O-N 3.15Å; F142-F162 HydrophobicContact CD2-CB 4.41Å; F142-F162 HydrophobicContact CD2-CD2 4.15Å; F142-F162 HydrophobicContact CE2-CD2 4.3Å
143F59.7Low60.8Low152 Ų15276.3 Ų76.367%0.66739%0.39SS*.Hα-helixtrans-69.3-40.7177.9-152.1-87000112.3W139 I140 S145 F146 C147W139-F143 PolarHBondContact O-N 3.37Å; I140-F143 PolarHBondContact O-N 3.04Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-F146 WeakPolarHBondContact O-CB 3.01Å; F143-F146 PolarHBondContact O-N 3.38Å; F143-C147 PolarHBondContact O-N 2.76Å
144L59.2Low60.6Low73 Ų7373.9 Ų73.938%0.38238%0.379SS..Hα-helixtrans-67.7-33.8175.8-156.6119.9000111.4M133 I140 C147 L148M133-L144 HydrophobicContact CG-CD2 4.45Å; M133-L144 HydrophobicContact SD-CD2 4.03Å; I140-L144 VanDerWaalsContact O-CB 3.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 PolarHBondContact O-N 3.39Å; L144-C147 PolarHBondContact O-N 3.33Å; L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 WeakPolarHBondContact O-CB 3.1Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.72Å
145S63Low60.4Low1 Ų179 Ų791%0.00740%0.398CS..Hα-helixtrans-66.8-40.4170.8-67.10000111.7T130 G141 F142 F143 L148 T149T130-S145 WeakPolarHBondContact CG2-OG 3.49Å; T130-S145 PolarHBondContact O-OG 3.42Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.21Å; G141-S145 PolarHBondContact O-OG 3.14Å; F142-S145 PolarHBondContact O-N 3.22Å; F143-S145 VanDerWaalsContact C-N 3.32Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 3.38Å; S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 VanDerWaalsContact O-N 3.09Å; S145-T149 PolarHBondContact O-OG1 2.62Å
146F61Low60.6Low142 Ų14279.5 Ų79.562%0.62340%0.399SS*.Hα-helixtrans-63.6-38.4172.5-119.1-86.6000112.1F142 F143 T149F142-F146 HydrophobicContact CE1-CD2 4.06Å; F142-F146 HydrophobicContact CE1-CE2 4.22Å; F142-F146 HydrophobicContact CZ-CD2 4.11Å; F142-F146 AromaticContact CZ-CE2 3.99Å; F142-F146 HydrophobicContact CZ-CE2 3.99Å; F142-F146 PolarHBondContact O-N 3.15Å; F143-F146 WeakPolarHBondContact O-CB 3.01Å; F143-F146 PolarHBondContact O-N 3.38Å; F146-T149 WeakPolarHBondContact O-CB 3.36Å; F146-T149 PolarHBondContact O-N 3.36Å
147C50.7Low61Low97 Ų9775.9 Ų75.966%0.65538%0.38SS*.Hα-helixtrans-69.5-29173.8-80.10000113.8F143 L144 T149F143-C147 PolarHBondContact O-N 2.76Å; L144-C147 PolarHBondContact O-N 3.33Å; C147-T149 VanDerWaalsContact C-N 3.31Å
148L58.9Low61.6Low97 Ų9771.3 Ų71.351%0.50836%0.362SS..THydrogen-bonded Turntrans-86.7-1.1174.2-67.9170.3000112.6L144 S145 T150L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 WeakPolarHBondContact O-CB 3.1Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.72Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 3.38Å; L148-T150 PolarHBondContact O-N 3.06Å; L148-T150 VanDerWaalsContact O-N 3.14Å
149T61.8Low61.7Low33 Ų3372 Ų7220%0.20236%0.364CS..  trans-8677.5-178.6-60.30000110.6S145 F146 C147 R155S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 VanDerWaalsContact O-N 3.09Å; S145-T149 PolarHBondContact O-OG1 2.62Å; F146-T149 WeakPolarHBondContact O-CB 3.36Å; F146-T149 PolarHBondContact O-N 3.36Å; C147-T149 VanDerWaalsContact C-N 3.31Å; T149-R155 HydrophobicContact CG2-CG 3.57Å
150T58.7Low62.7Low112 Ų11262 Ų6269%0.68733%0.327SS*.SBendtrans-95.8-0.6160.6-159.60000112.3L148L148-T150 PolarHBondContact O-N 3.06Å; L148-T150 VanDerWaalsContact O-N 3.14Å
151S51.7Low63.9Low45 Ų4556.8 Ų56.832%0.31530%0.3SS..SBendtrans-140.6142-171-178.20000113A153 G154S151-A153 VanDerWaalsContact C-N 3.27Å; S151-A153 PolarHBondContact O-N 3.14Å; S151-G154 PolarHBondContact O-N 3.25Å; S151-G154 VanDerWaalsContact O-N 3.14Å
152A50.7Low64.4Low27 Ų2761 Ų6122%0.22332%0.318CS..Hα-helixtrans-59.4-29.6-17700000114.1T109 G154 R155 Y156T109-A152 HydrophobicContact CG2-CB 3.77Å; A152-G154 VanDerWaalsContact C-N 3.29Å; A152-G154 PolarHBondContact O-N 3.14Å; A152-R155 PolarHBondContact O-N 3.26Å; A152-Y156 WeakPolarHBondContact O-CD2 3.24Å
153A55Low65.4Low45 Ų4557.4 Ų57.437%0.37230%0.302SS..Hα-helixtrans-66.5-29.1177.700000113.3I126 S151 R155I126-A153 HydrophobicContact CG2-CB 4.09Å; S151-A153 VanDerWaalsContact C-N 3.27Å; S151-A153 PolarHBondContact O-N 3.14Å; A153-R155 VanDerWaalsContact C-N 3.35Å
154G62.4Low66.3Low5 Ų551.5 Ų51.55%0.05228%0.278CS..Hα-helixtrans-71.2-28.2177.100000113.2S151 A152 G157 A158S151-G154 PolarHBondContact O-N 3.25Å; S151-G154 VanDerWaalsContact O-N 3.14Å; A152-G154 VanDerWaalsContact C-N 3.29Å; A152-G154 PolarHBondContact O-N 3.14Å; G154-G157 PolarHBondContact O-N 2.8Å; G154-A158 WeakPolarHBondContact O-CB 3.41Å; G154-A158 PolarHBondContact O-N 3.09Å
155R67.3Low67.5Low109 Ų10948.4 Ų48.441%0.41126%0.262SS..Hα-helixtrans-65.3-42.4-177.4-63.1-177-179.7-174.3-0.2111.9E105 T149 A152 A153 A158 I159E105-R155 IonicContact OE2-CZ 3.85Å; E105-R155 IonicContact OE2-NH1 2.72Å; E105-R155 PolarHBondContact OE2-NH1 2.78Å; T149-R155 HydrophobicContact CG2-CG 3.57Å; A152-R155 PolarHBondContact O-N 3.26Å; A153-R155 VanDerWaalsContact C-N 3.35Å; R155-A158 PolarHBondContact O-N 3.17Å; R155-I159 WeakPolarHBondContact O-CD1 3.21Å; R155-I159 VanDerWaalsContact O-CG1 3.28Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.32Å
156Y71.3Confident68.3Low75 Ų7550 Ų5029%0.29427%0.27SS..Hα-helixtrans-68-34.6175.6-59.1-73.5000112.8L102 A152 S160L102-Y156 HydrophobicContact CD2-CE1 3.84Å; L102-Y156 WeakPolarHBondContact CD2-OH 3.48Å; A152-Y156 WeakPolarHBondContact O-CD2 3.24Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.05Å; Y156-S160 VanDerWaalsContact O-N 3.17Å; Y156-S160 PolarHBondContact O-OG 2.87Å; Y156-S160 VanDerWaalsContact O-OG 3.09Å
157G74.3Confident69.4Low0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-66.1-40.9172.300000112.6F131 G154 S160 G161F131-G157 WeakPolarHBondContact CA-O 3Å; G154-G157 PolarHBondContact O-N 2.8Å; G157-S160 PolarHBondContact O-N 2.79Å; G157-S160 PolarHBondContact O-OG 3.45Å; G157-G161 PolarHBondContact O-N 3.45Å
158A74.6Confident71Confident9 Ų942.8 Ų42.87%0.07423%0.229CC..Hα-helixtrans-67.2-42.3178.100000112.5T130 G154 R155 G161 F162T130-A158 HydrophobicContact CG2-CB 4.1Å; G154-A158 WeakPolarHBondContact O-CB 3.41Å; G154-A158 PolarHBondContact O-N 3.09Å; R155-A158 PolarHBondContact O-N 3.17Å; A158-G161 PolarHBondContact O-N 2.92Å; A158-F162 WeakPolarHBondContact O-CB 3.28Å; A158-F162 PolarHBondContact O-N 3.42Å
159I74.1Confident72.2Confident93 Ų9345.1 Ų45.148%0.47723%0.231SC..Hα-helixtrans-65.1-40.1177.4-65.9160.9000111R155 G163 L200R155-I159 WeakPolarHBondContact O-CD1 3.21Å; R155-I159 VanDerWaalsContact O-CG1 3.28Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.32Å; I159-G163 PolarHBondContact O-N 3.43Å; I159-L200 HydrophobicContact CG2-CD2 4.39Å
160S78.8Confident73.1Confident2 Ų244.1 Ų44.11%0.01422%0.224CC..Hα-helixtrans-71.8-34.3176.165.20000113.3F131 Y156 G157 G163 L164F131-S160 WeakPolarHBondContact CD2-OG 3.33Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.05Å; Y156-S160 VanDerWaalsContact O-N 3.17Å; Y156-S160 PolarHBondContact O-OG 2.87Å; Y156-S160 VanDerWaalsContact O-OG 3.09Å; G157-S160 PolarHBondContact O-N 2.79Å; G157-S160 PolarHBondContact O-OG 3.45Å; S160-G163 PolarHBondContact O-N 2.97Å; S160-L164 PolarHBondContact O-N 3.2Å
161G79.4Confident74.1Confident0 Ų043.3 Ų43.30%022%0.215CC..Hα-helixtrans-70.3-33.3173.700000113.3G157 A158 G163 L164 S165G157-G161 PolarHBondContact O-N 3.45Å; A158-G161 PolarHBondContact O-N 2.92Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G161-L164 PolarHBondContact O-N 2.86Å; G161-S165 PolarHBondContact O-N 3.25Å
162F77.8Confident75.4Confident88 Ų8846 Ų4639%0.38622%0.224SC..Hα-helixtrans-61.3-40.7169.7175.1-102000111.7F142 A158 L164 S165 L166F142-F162 HydrophobicContact CD2-CB 4.41Å; F142-F162 HydrophobicContact CD2-CD2 4.15Å; F142-F162 HydrophobicContact CE2-CD2 4.3Å; A158-F162 WeakPolarHBondContact O-CB 3.28Å; A158-F162 PolarHBondContact O-N 3.42Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.26Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-L166 HydrophobicContact CE1-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD1 3.94Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 PolarHBondContact O-N 3.27Å
163G82.4Confident76.7Confident0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-57.2-41175.700000113.4I159 S160 G161 I167I159-G163 PolarHBondContact O-N 3.43Å; S160-G163 PolarHBondContact O-N 2.97Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G163-I167 WeakPolarHBondContact O-CD1 3.38Å; G163-I167 VanDerWaalsContact O-CG1 3.27Å; G163-I167 WeakPolarHBondContact O-CG1 3.28Å; G163-I167 PolarHBondContact O-N 2.93Å
164L79.5Confident77.6Confident29 Ų2948 Ų4815%0.15222%0.223CC..Hα-helixtrans-76-33.8175.7-68.5-169.1000113.9F131 F135 S160 G161 F162 L166 I167 K168 F201F131-L164 HydrophobicContact CE1-CD1 4.25Å; F131-L164 HydrophobicContact CE2-CD1 3.54Å; F131-L164 HydrophobicContact CE2-CG 4.03Å; F131-L164 HydrophobicContact CZ-CD1 3.22Å; F131-L164 HydrophobicContact CZ-CG 4.19Å; F135-L164 HydrophobicContact CD2-CB 3.43Å; F135-L164 VanDerWaalsContact CD2-CB 3.43Å; F135-L164 HydrophobicContact CD2-CD1 3.92Å; F135-L164 HydrophobicContact CD2-CG 4.36Å; F135-L164 HydrophobicContact CE2-CB 3.98Å; F135-L164 HydrophobicContact CE2-CD1 4.28Å; F135-L164 HydrophobicContact CG-CB 4.33Å; F135-L164 HydrophobicContact CG-CD1 4.31Å; S160-L164 PolarHBondContact O-N 3.2Å; G161-L164 PolarHBondContact O-N 2.86Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.26Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-I167 HydrophobicContact CD2-CD1 3.69Å; L164-I167 PolarHBondContact O-N 3.27Å; L164-K168 VanDerWaalsContact O-CB 3.27Å; L164-K168 WeakPolarHBondContact O-CB 3.13Å; L164-K168 PolarHBondContact O-N 3.43Å; L164-F201 HydrophobicContact CD1-CD2 4.02Å; L164-F201 HydrophobicContact CD1-CE2 4.12Å; L164-F201 HydrophobicContact CD2-CB 3.95Å; L164-F201 HydrophobicContact CD2-CD1 4.21Å; L164-F201 HydrophobicContact CD2-CD2 3.85Å; L164-F201 HydrophobicContact CD2-CE2 4.46Å; L164-F201 HydrophobicContact CD2-CG 3.71Å; L164-F201 HydrophobicContact CG-CB 4.37Å; L164-F201 HydrophobicContact CG-CD2 3.81Å; L164-F201 HydrophobicContact CG-CE2 4.4Å; L164-F201 HydrophobicContact CG-CG 4.15Å
165S83.7Confident77.8Confident8 Ų855.5 Ų55.56%0.05625%0.254CS..Hα-helixtrans-61.7-40.9171-173.40000110.6N138 G161 F162 K168 W169N138-S165 PolarHBondContact O-OG 3.09Å; N138-S165 VanDerWaalsContact O-OG 3.11Å; G161-S165 PolarHBondContact O-N 3.25Å; F162-S165 PolarHBondContact O-N 3.49Å; S165-K168 PolarHBondContact O-N 3.27Å; S165-W169 VanDerWaalsContact O-CB 3.31Å; S165-W169 WeakPolarHBondContact O-CB 3.45Å; S165-W169 PolarHBondContact O-N 2.59Å
166L79.8Confident78Confident33 Ų3355 Ų5517%0.17327%0.267CS..Hα-helixtrans-63.1-47.5173.7-172.9132.8000111F162 L164 K168 W169 I170F162-L166 HydrophobicContact CE1-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD1 3.94Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 PolarHBondContact O-N 3.27Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 3.33Å; L166-W169 PolarHBondContact O-N 2.87Å; L166-I170 HydrophobicContact CD2-CD1 3.31Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.3Å; L166-I170 PolarHBondContact O-N 3.02Å
167I84.7Confident77.6Confident23 Ų2355.5 Ų55.512%0.11828%0.279CS..Hα-helixtrans-57.6-48.5173.4-70.6157.6000111.3G163 L164 W169 I170 L171 G197 F198G163-I167 WeakPolarHBondContact O-CD1 3.38Å; G163-I167 VanDerWaalsContact O-CG1 3.27Å; G163-I167 WeakPolarHBondContact O-CG1 3.28Å; G163-I167 PolarHBondContact O-N 2.93Å; L164-I167 HydrophobicContact CD2-CD1 3.69Å; L164-I167 PolarHBondContact O-N 3.27Å; I167-W169 VanDerWaalsContact C-N 3.34Å; I167-W169 PolarHBondContact O-N 2.94Å; I167-I170 PolarHBondContact O-N 3.36Å; I167-L171 HydrophobicContact CG2-CD1 3.41Å; I167-L171 VanDerWaalsContact CG2-CD1 3.41Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 VanDerWaalsContact O-CD1 3.25Å; I167-L171 WeakPolarHBondContact O-CD1 3.2Å; I167-L171 PolarHBondContact O-N 3.14Å; I167-G197 WeakPolarHBondContact CD1-O 3.15Å; I167-F198 HydrophobicContact CD1-CB 4.41Å
168K83.6Confident77.1Confident66 Ų6662.6 Ų62.629%0.28731%0.306SS..Hα-helixtrans-58.7-44.7178.1171.9177.1162.8-178.50111.5F135 L136 L164 S165 L166 L171 I172F135-K168 HydrophobicContact CE2-CD 4.43Å; F135-K168 PolarHBondContact O-NZ 2.89Å; L136-K168 PolarHBondContact O-NZ 3.47Å; L136-K168 VanDerWaalsContact O-NZ 3.09Å; L164-K168 VanDerWaalsContact O-CB 3.27Å; L164-K168 WeakPolarHBondContact O-CB 3.13Å; L164-K168 PolarHBondContact O-N 3.43Å; S165-K168 PolarHBondContact O-N 3.27Å; L166-K168 PolarHBondContact O-N 3.33Å; K168-L171 PolarHBondContact O-N 2.78Å; K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CD1 3.46Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.35Å
169W83.9Confident76Confident146 Ų14671.6 Ų71.655%0.55334%0.344SS*.Hα-helixtrans-64.2-44.4176.4-172.984000111.7S165 L166 I167 L171 I172 V173S165-W169 VanDerWaalsContact O-CB 3.31Å; S165-W169 WeakPolarHBondContact O-CB 3.45Å; S165-W169 PolarHBondContact O-N 2.59Å; L166-W169 PolarHBondContact O-N 2.87Å; I167-W169 VanDerWaalsContact C-N 3.34Å; I167-W169 PolarHBondContact O-N 2.94Å; W169-L171 VanDerWaalsContact C-N 3.32Å; W169-L171 PolarHBondContact O-N 3.46Å; W169-I172 PolarHBondContact O-N 3.33Å; W169-V173 HydrophobicContact CD2-CG2 3.93Å; W169-V173 HydrophobicContact CE3-CG2 4Å; W169-V173 HydrophobicContact CH2-CG2 3.95Å; W169-V173 HydrophobicContact CZ2-CG2 3.87Å; W169-V173 HydrophobicContact CZ3-CG2 4.01Å; W169-V173 WeakPolarHBondContact O-CB 3.47Å; W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.4Å; W169-V173 PolarHBondContact O-N 2.95Å
170I81.4Confident75.2Confident11 Ų1172.8 Ų72.86%0.05636%0.358CS..Hα-helixtrans-63-36.5175.5-68.9156.5000111.8L166 I167 R174 W190 F193L166-I170 HydrophobicContact CD2-CD1 3.31Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.3Å; L166-I170 PolarHBondContact O-N 3.02Å; I167-I170 PolarHBondContact O-N 3.36Å; I170-R174 WeakPolarHBondContact O-CB 3.12Å; I170-R174 PolarHBondContact O-N 2.87Å; I170-W190 VanDerWaalsContact CG2-CD1 3.42Å; I170-W190 HydrophobicContact CG2-CG 4.46Å; I170-F193 HydrophobicContact CD1-CB 3.6Å; I170-F193 WeakPolarHBondContact CD1-O 3.44Å; I170-F193 HydrophobicContact CG1-CB 4.26Å
171L78.9Confident74.2Confident95 Ų9575.1 Ų75.150%0.49738%0.383SS..Hα-helixtrans-65.3-42.6173.5-99.3114.7000111.4I167 K168 W169 R174 F175I167-L171 HydrophobicContact CG2-CD1 3.41Å; I167-L171 VanDerWaalsContact CG2-CD1 3.41Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 VanDerWaalsContact O-CD1 3.25Å; I167-L171 WeakPolarHBondContact O-CD1 3.2Å; I167-L171 PolarHBondContact O-N 3.14Å; K168-L171 PolarHBondContact O-N 2.78Å; W169-L171 VanDerWaalsContact C-N 3.32Å; W169-L171 PolarHBondContact O-N 3.46Å; L171-R174 PolarHBondContact O-N 3.29Å; L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 PolarHBondContact O-N 3.2Å
172I80.7Confident73Confident101 Ų10185.2 Ų85.252%0.51842%0.422SS..Hα-helixtrans-65.1-47.1176.5-70157.7000110.6K168 W169 R174 F175 S176K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CD1 3.46Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.35Å; W169-I172 PolarHBondContact O-N 3.33Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 2.84Å; I172-F175 PolarHBondContact O-N 2.74Å; I172-S176 VanDerWaalsContact O-CB 3.28Å; I172-S176 WeakPolarHBondContact O-CB 3.43Å; I172-S176 PolarHBondContact O-N 3.3Å
173V76.1Confident71.8Confident56 Ų5687.6 Ų87.634%0.33943%0.433SS..Hα-helixtrans-58.1-42.8175.2169.80000110.1W169 S176 T177W169-V173 HydrophobicContact CD2-CG2 3.93Å; W169-V173 HydrophobicContact CE3-CG2 4Å; W169-V173 HydrophobicContact CH2-CG2 3.95Å; W169-V173 HydrophobicContact CZ2-CG2 3.87Å; W169-V173 HydrophobicContact CZ3-CG2 4.01Å; W169-V173 WeakPolarHBondContact O-CB 3.47Å; W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.4Å; W169-V173 PolarHBondContact O-N 2.95Å; V173-S176 WeakPolarHBondContact O-CB 3.31Å; V173-S176 PolarHBondContact O-N 3.43Å; V173-T177 WeakPolarHBondContact O-CG2 3.48Å; V173-T177 PolarHBondContact O-N 3.42Å; V173-T177 PolarHBondContact O-OG1 3.01Å
174R73.9Confident70.7Confident60 Ų6094.8 Ų94.823%0.22647%0.471CS..Hα-helixtrans-67.2-39.5179-175.963.5-178.181.61.8114I170 L171 I172 S176 T177 Y178 W190I170-R174 WeakPolarHBondContact O-CB 3.12Å; I170-R174 PolarHBondContact O-N 2.87Å; L171-R174 PolarHBondContact O-N 3.29Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 2.84Å; R174-S176 VanDerWaalsContact C-N 3.31Å; R174-T177 PolarHBondContact O-OG1 2.73Å; R174-Y178 VanDerWaalsContact NH1-CE2 3.31Å; R174-Y178 WeakPolarHBondContact O-CD2 3.39Å; R174-Y178 PolarHBondContact O-N 2.9Å; R174-W190 HydrophobicContact CB-CZ2 4.13Å; R174-W190 HydrophobicContact CG-CD2 4.45Å; R174-W190 HydrophobicContact CG-CH2 4.42Å; R174-W190 HydrophobicContact CG-CZ2 3.57Å
175F68Low69.9Low162 Ų16296.7 Ų96.771%0.71150%0.498SS*.Hα-helixtrans-70.9-30.6175.7-128-85.6000111.3L171 I172 Y178L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 PolarHBondContact O-N 3.2Å; I172-F175 PolarHBondContact O-N 2.74Å; F175-Y178 WeakPolarHBondContact O-CB 3.31Å
176S70.6Confident69Low98 Ų98102 Ų10269%0.68552%0.522SS*.Hα-helixtrans-72.2-38.5173.81790000112.2I172 V173 R174 Y178I172-S176 VanDerWaalsContact O-CB 3.28Å; I172-S176 WeakPolarHBondContact O-CB 3.43Å; I172-S176 PolarHBondContact O-N 3.3Å; V173-S176 WeakPolarHBondContact O-CB 3.31Å; V173-S176 PolarHBondContact O-N 3.43Å; R174-S176 VanDerWaalsContact C-N 3.31Å; S176-Y178 VanDerWaalsContact C-N 3.26Å; S176-Y178 PolarHBondContact O-N 3.02Å
177T64.3Low68.7Low86 Ų86104.9 Ų104.953%0.52853%0.531SS..THydrogen-bonded Turntrans-89.822.6177.166.30000113.2V173 R174 F179V173-T177 WeakPolarHBondContact O-CG2 3.48Å; V173-T177 PolarHBondContact O-N 3.42Å; V173-T177 PolarHBondContact O-OG1 3.01Å; R174-T177 PolarHBondContact O-OG1 2.73Å; T177-F179 PolarHBondContact O-N 3.46Å
178Y61.9Low68.5Low149 Ų149112.7 Ų112.758%0.58456%0.559SS**  trans-77.49.6-178.9-134.3-86.1000113.7R174 F175 S176R174-Y178 VanDerWaalsContact NH1-CE2 3.31Å; R174-Y178 WeakPolarHBondContact O-CD2 3.39Å; R174-Y178 PolarHBondContact O-N 2.9Å; F175-Y178 WeakPolarHBondContact O-CB 3.31Å; S176-Y178 VanDerWaalsContact C-N 3.26Å; S176-Y178 PolarHBondContact O-N 3.02Å
179F52.7Low68.2Low198 Ų198113.4 Ų113.487%0.86857%0.566SS**SBendtrans-81.5130165-99.8-85.8000110.5T177T177-F179 PolarHBondContact O-N 3.46Å
180P57.3Low68Low117 Ų117109.5 Ų109.576%0.7655%0.551SS**  trans-95141.8-154.235.1-27.3000112
181G57Low68.2Low52 Ų52116.1 Ų116.154%0.53658%0.575SS.*SBendtrans131.311.3143.800000121.2
182Y55.2Low68.5Low211 Ų211114.1 Ų114.183%0.82757%0.567SS**SBendtrans-143.15-175.1-106.1-83.5000120.2
183F52.3Low68.6Low139 Ų139113.4 Ų113.461%0.6156%0.56SS**  trans-127.657.2-177.9-75.6-76.5000113.9G185 Q186 Y187F183-G185 PolarHBondContact O-N 2.92Å; F183-Q186 PolarHBondContact O-N 3.4Å; F183-Q186 VanDerWaalsContact O-N 3.1Å; F183-Y187 WeakPolarHBondContact O-CD2 3.24Å; F183-Y187 WeakPolarHBondContact O-CE2 3.48Å
184D60.2Low69.1Low150 Ų150112.8 Ų112.880%0.80256%0.555SS**THydrogen-bonded Turntrans-56.7-7.8170.9-76.7-46.2000114.6
185G62.1Low69.8Low70 Ų70113.2 Ų113.272%0.72256%0.564SS**THydrogen-bonded Turntrans-93.5-19.1174.200000116.5F183F183-G185 PolarHBondContact O-N 2.92Å
186Q64.3Low70.6Confident119 Ų119109.4 Ų109.456%0.55655%0.55SS**THydrogen-bonded Turntrans-113.1-4.5-168.6-85.7175.9-2900115.2F183 W188 L189 W190F183-Q186 PolarHBondContact O-N 3.4Å; F183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-W188 PolarHBondContact O-N 3.43Å; Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; Q186-W190 PolarHBondContact O-N 3.12Å
187Y73.4Confident71.3Confident94 Ų94104.7 Ų104.737%0.36952%0.518SS..Hα-helixtrans-61-30.8173.5-61.1-66.9000112.9F183 L189 W190 W191F183-Y187 WeakPolarHBondContact O-CD2 3.24Å; F183-Y187 WeakPolarHBondContact O-CE2 3.48Å; Y187-L189 VanDerWaalsContact C-N 3.28Å; Y187-L189 PolarHBondContact O-N 3.21Å; Y187-W190 WeakPolarHBondContact O-CB 3.44Å; Y187-W190 PolarHBondContact O-N 3.38Å; Y187-W191 VanDerWaalsContact O-CD1 3.25Å; Y187-W191 PolarHBondContact O-N 2.87Å
188W80.6Confident72.3Confident186 Ų186105.4 Ų105.471%0.70551%0.513SS*.Hα-helixtrans-58.8-42.7175.1-176.981.3000111.3Q186 W190 W191 V192Q186-W188 PolarHBondContact O-N 3.43Å; W188-W190 VanDerWaalsContact C-N 3.34Å; W188-W190 PolarHBondContact O-N 3.28Å; W188-W191 PolarHBondContact O-N 2.98Å; W188-V192 HydrophobicContact CD2-CG2 3.71Å; W188-V192 HydrophobicContact CE3-CG2 3.86Å; W188-V192 HydrophobicContact CG-CG2 4.43Å; W188-V192 HydrophobicContact CH2-CG2 3.72Å; W188-V192 HydrophobicContact CZ2-CG2 3.54Å; W188-V192 HydrophobicContact CZ3-CG2 3.87Å; W188-V192 WeakPolarHBondContact O-CB 3.13Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 2.92Å; W188-V192 PolarHBondContact O-N 3.41Å
189L76.4Confident73.3Confident82 Ų82103.2 Ų103.243%0.42951%0.511SS..Hα-helixtrans-63.6-40178.3-159.791000111.4Q186 Y187 V192 F193Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; Y187-L189 VanDerWaalsContact C-N 3.28Å; Y187-L189 PolarHBondContact O-N 3.21Å; L189-V192 PolarHBondContact O-N 2.93Å; L189-F193 HydrophobicContact CD1-CE2 4.18Å; L189-F193 HydrophobicContact CD2-CD2 4.04Å; L189-F193 HydrophobicContact CD2-CE2 3.58Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.55Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.83Å
190W80.8Confident74.5Confident64 Ų6495.9 Ų95.924%0.24248%0.481CS..Hα-helixtrans-62.4-44.7174.5179.876.2000112I170 R174 Q186 Y187 W188 F193 L194I170-W190 VanDerWaalsContact CG2-CD1 3.42Å; I170-W190 HydrophobicContact CG2-CG 4.46Å; R174-W190 HydrophobicContact CB-CZ2 4.13Å; R174-W190 HydrophobicContact CG-CD2 4.45Å; R174-W190 HydrophobicContact CG-CH2 4.42Å; R174-W190 HydrophobicContact CG-CZ2 3.57Å; Q186-W190 PolarHBondContact O-N 3.12Å; Y187-W190 WeakPolarHBondContact O-CB 3.44Å; Y187-W190 PolarHBondContact O-N 3.38Å; W188-W190 VanDerWaalsContact C-N 3.34Å; W188-W190 PolarHBondContact O-N 3.28Å; W190-F193 PolarHBondContact O-N 3.22Å; W190-L194 HydrophobicContact CH2-CD1 3.72Å; W190-L194 HydrophobicContact CZ2-CD1 3.92Å; W190-L194 HydrophobicContact CZ3-CD1 4.14Å; W190-L194 WeakPolarHBondContact O-CB 3.08Å; W190-L194 PolarHBondContact O-N 3.42Å
191W84.4Confident75.5Confident150 Ų15092.4 Ų92.457%0.56845%0.454SS*.Hα-helixtrans-62.2-42.9173.8-83.3108.6000112.1Y187 W188 L194 V195Y187-W191 VanDerWaalsContact O-CD1 3.25Å; Y187-W191 PolarHBondContact O-N 2.87Å; W188-W191 PolarHBondContact O-N 2.98Å; W191-L194 HydrophobicContact CE3-CD1 4.43Å; W191-L194 HydrophobicContact CZ3-CD1 4.43Å; W191-L194 PolarHBondContact O-N 2.87Å; W191-V195 VanDerWaalsContact O-CB 3.31Å; W191-V195 WeakPolarHBondContact O-CB 3.27Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.05Å
192V86.5Confident76.7Confident52 Ų5293.6 Ų93.632%0.31545%0.445SS..Hα-helixtrans-61.5-45.5176.5168.50000110.8W188 L189 V195 L196W188-V192 HydrophobicContact CD2-CG2 3.71Å; W188-V192 HydrophobicContact CE3-CG2 3.86Å; W188-V192 HydrophobicContact CG-CG2 4.43Å; W188-V192 HydrophobicContact CH2-CG2 3.72Å; W188-V192 HydrophobicContact CZ2-CG2 3.54Å; W188-V192 HydrophobicContact CZ3-CG2 3.87Å; W188-V192 WeakPolarHBondContact O-CB 3.13Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 2.92Å; W188-V192 PolarHBondContact O-N 3.41Å; L189-V192 PolarHBondContact O-N 2.93Å; V192-V195 PolarHBondContact O-N 3.33Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 2.84Å
193F83.1Confident77.7Confident87 Ų8789.9 Ų89.938%0.38243%0.429SS..Hα-helixtrans-68.7-36.3178.6-82.5-60.4000113I170 L189 W190 L196 G197I170-F193 HydrophobicContact CD1-CB 3.6Å; I170-F193 WeakPolarHBondContact CD1-O 3.44Å; I170-F193 HydrophobicContact CG1-CB 4.26Å; L189-F193 HydrophobicContact CD1-CE2 4.18Å; L189-F193 HydrophobicContact CD2-CD2 4.04Å; L189-F193 HydrophobicContact CD2-CE2 3.58Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.55Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.83Å; W190-F193 PolarHBondContact O-N 3.22Å; F193-L196 HydrophobicContact CD1-CD2 4.46Å; F193-G197 PolarHBondContact O-N 3.24Å
194L86.4Confident78.8Confident42 Ų4283.6 Ų83.622%0.2240%0.403CS..Hα-helixtrans-63.4-52.1172.6-166.4-180000110.2W190 W191 L196 G197 F198W190-L194 HydrophobicContact CH2-CD1 3.72Å; W190-L194 HydrophobicContact CZ2-CD1 3.92Å; W190-L194 HydrophobicContact CZ3-CD1 4.14Å; W190-L194 WeakPolarHBondContact O-CB 3.08Å; W190-L194 PolarHBondContact O-N 3.42Å; W191-L194 HydrophobicContact CE3-CD1 4.43Å; W191-L194 HydrophobicContact CZ3-CD1 4.43Å; W191-L194 PolarHBondContact O-N 2.87Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.76Å; L194-G197 PolarHBondContact O-N 3.44Å; L194-F198 WeakPolarHBondContact O-CB 3.28Å; L194-F198 PolarHBondContact O-N 3.36Å
195V87.4Confident79.4Confident70 Ų7081 Ų8142%0.42439%0.385SS..Hα-helixtrans-61.6-40.8179170.90000110.6W191 V192 F198 L199W191-V195 VanDerWaalsContact O-CB 3.31Å; W191-V195 WeakPolarHBondContact O-CB 3.27Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.05Å; V192-V195 PolarHBondContact O-N 3.33Å; V195-F198 CarbonylContact O-C 3.59Å; V195-F198 PolarHBondContact O-N 3.35Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.09Å; V195-L199 WeakPolarHBondContact O-CB 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.28Å
196L85.4Confident80.1Confident81 Ų8182.7 Ų82.742%0.42438%0.377SS..Hα-helixtrans-63.8-46177.1-174.468.9000111.8V192 F193 L194 F198 L199 L200V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 2.84Å; F193-L196 HydrophobicContact CD1-CD2 4.46Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.76Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.81Å; L196-L199 PolarHBondContact O-N 2.99Å; L196-L200 HydrophobicContact CG-CD1 4.39Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.23Å
197G85.1Confident80.5Confident0 Ų079.4 Ų79.40%036%0.363CS..Hα-helixtrans-62.6-37.2175.100000112.4I167 F193 L194 F201I167-G197 WeakPolarHBondContact CD1-O 3.15Å; F193-G197 PolarHBondContact O-N 3.24Å; L194-G197 PolarHBondContact O-N 3.44Å; G197-F201 PolarHBondContact O-N 2.9Å
198F84.9Confident80.3Confident100 Ų10075.8 Ų75.844%0.43935%0.349SS..Hα-helixtrans-71-41.3176-162.9-101.8000111.6I167 L194 V195 L196 L200 F201 F202I167-F198 HydrophobicContact CD1-CB 4.41Å; L194-F198 WeakPolarHBondContact O-CB 3.28Å; L194-F198 PolarHBondContact O-N 3.36Å; V195-F198 CarbonylContact O-C 3.59Å; V195-F198 PolarHBondContact O-N 3.35Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.81Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.39Å; F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.42Å; F198-F202 AromaticContact CD1-CD2 3.45Å; F198-F202 HydrophobicContact CD1-CD2 3.45Å; F198-F202 VanDerWaalsContact CD1-CD2 3.45Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CG 4.35Å; F198-F202 HydrophobicContact CD1-CZ 4.37Å; F198-F202 HydrophobicContact CD2-CD2 4.24Å; F198-F202 AromaticContact CD2-CE2 3.91Å; F198-F202 HydrophobicContact CD2-CE2 3.91Å; F198-F202 AromaticContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CE1 4.31Å; F198-F202 AromaticContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CG 4.26Å; F198-F202 AromaticContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE1-CZ 3.46Å; F198-F202 VanDerWaalsContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE2-CD2 4.19Å; F198-F202 AromaticContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CE2 3.41Å; F198-F202 VanDerWaalsContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CZ 4.21Å; F198-F202 AromaticContact CG-CD2 3.93Å; F198-F202 HydrophobicContact CG-CD2 3.93Å; F198-F202 AromaticContact CG-CE2 3.98Å; F198-F202 HydrophobicContact CG-CE2 3.98Å; F198-F202 AromaticContact CZ-CD2 3.81Å; F198-F202 HydrophobicContact CZ-CD2 3.81Å; F198-F202 AromaticContact CZ-CE2 2.93Å; F198-F202 HydrophobicContact CZ-CE2 2.93Å; F198-F202 AromaticContact CZ-CZ 3.38Å; F198-F202 HydrophobicContact CZ-CZ 3.38Å; F198-F202 WeakPolarHBondContact O-CB 3.44Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.29Å; F198-F202 PolarHBondContact O-N 2.94Å
199L83.2Confident79.6Confident103 Ų10368.6 Ų68.654%0.53933%0.329SS..Hα-helixtrans-63.2-38.8174.8-74.6172.9000111.6V195 L196 F202 R203V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.09Å; V195-L199 WeakPolarHBondContact O-CB 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.28Å; L196-L199 PolarHBondContact O-N 2.99Å; L199-F202 PolarHBondContact O-N 3.36Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 PolarHBondContact O-N 2.84Å
200L77.6Confident79Confident44 Ų4472.3 Ų72.323%0.2334%0.337CS..Hα-helixtrans-64.9-40173.9-73.7169.2000111.8I159 L196 F198 G204I159-L200 HydrophobicContact CG2-CD2 4.39Å; L196-L200 HydrophobicContact CG-CD1 4.39Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.23Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.39Å; L200-G204 PolarHBondContact O-N 3.38Å
201F80.1Confident78Confident45 Ų4574 Ų7420%0.19735%0.35CS..Hα-helixtrans-63.6-49.3172.8172.2-116.8000111.9F131 L164 G197 F198 R203 G204 F205F131-F201 HydrophobicContact CE1-CE2 4.48Å; F131-F201 AromaticContact CE2-CD2 3.61Å; F131-F201 HydrophobicContact CE2-CD2 3.61Å; F131-F201 AromaticContact CE2-CE2 3.58Å; F131-F201 HydrophobicContact CE2-CE2 3.58Å; F131-F201 AromaticContact CZ-CD2 3.86Å; F131-F201 HydrophobicContact CZ-CD2 3.86Å; F131-F201 AromaticContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CZ 4.41Å; L164-F201 HydrophobicContact CD1-CD2 4.02Å; L164-F201 HydrophobicContact CD1-CE2 4.12Å; L164-F201 HydrophobicContact CD2-CB 3.95Å; L164-F201 HydrophobicContact CD2-CD1 4.21Å; L164-F201 HydrophobicContact CD2-CD2 3.85Å; L164-F201 HydrophobicContact CD2-CE2 4.46Å; L164-F201 HydrophobicContact CD2-CG 3.71Å; L164-F201 HydrophobicContact CG-CB 4.37Å; L164-F201 HydrophobicContact CG-CD2 3.81Å; L164-F201 HydrophobicContact CG-CE2 4.4Å; L164-F201 HydrophobicContact CG-CG 4.15Å; G197-F201 PolarHBondContact O-N 2.9Å; F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.42Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.27Å; F201-G204 PolarHBondContact O-N 3.08Å; F201-F205 WeakPolarHBondContact O-CB 3.21Å; F201-F205 PolarHBondContact O-N 3.37Å
202F80.4Confident77Confident77 Ų7773.2 Ų73.234%0.33835%0.347SS..Hα-helixtrans-65.8-36.4179.9-89.5-102.3000112.3F198 L199 G204 F205 I206F198-F202 AromaticContact CD1-CD2 3.45Å; F198-F202 HydrophobicContact CD1-CD2 3.45Å; F198-F202 VanDerWaalsContact CD1-CD2 3.45Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CG 4.35Å; F198-F202 HydrophobicContact CD1-CZ 4.37Å; F198-F202 HydrophobicContact CD2-CD2 4.24Å; F198-F202 AromaticContact CD2-CE2 3.91Å; F198-F202 HydrophobicContact CD2-CE2 3.91Å; F198-F202 AromaticContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CE1 4.31Å; F198-F202 AromaticContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CG 4.26Å; F198-F202 AromaticContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE1-CZ 3.46Å; F198-F202 VanDerWaalsContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE2-CD2 4.19Å; F198-F202 AromaticContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CE2 3.41Å; F198-F202 VanDerWaalsContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CZ 4.21Å; F198-F202 AromaticContact CG-CD2 3.93Å; F198-F202 HydrophobicContact CG-CD2 3.93Å; F198-F202 AromaticContact CG-CE2 3.98Å; F198-F202 HydrophobicContact CG-CE2 3.98Å; F198-F202 AromaticContact CZ-CD2 3.81Å; F198-F202 HydrophobicContact CZ-CD2 3.81Å; F198-F202 AromaticContact CZ-CE2 2.93Å; F198-F202 HydrophobicContact CZ-CE2 2.93Å; F198-F202 AromaticContact CZ-CZ 3.38Å; F198-F202 HydrophobicContact CZ-CZ 3.38Å; F198-F202 WeakPolarHBondContact O-CB 3.44Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.29Å; F198-F202 PolarHBondContact O-N 2.94Å; L199-F202 PolarHBondContact O-N 3.36Å; F202-G204 VanDerWaalsContact C-N 3.34Å; F202-G204 PolarHBondContact O-N 3.09Å; F202-F205 CarbonylContact O-C 3.59Å; F202-F205 PolarHBondContact O-N 2.85Å; F202-I206 HydrophobicContact CB-CD1 4.35Å; F202-I206 VanDerWaalsContact O-CB 3.24Å; F202-I206 WeakPolarHBondContact O-CB 3.43Å; F202-I206 WeakPolarHBondContact O-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.27Å; F202-I206 PolarHBondContact O-N 2.95Å
203R77.5Confident75.6Confident132 Ų13278.3 Ų78.350%0.49837%0.365SS..Hα-helixtrans-61.7-43175.1-177178171.5906.9111.3I98 L199 F201 N207I98-R203 VanDerWaalsContact CG1-NH2 3.29Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 PolarHBondContact O-N 2.84Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.27Å; R203-N207 WeakPolarHBondContact O-CB 3.48Å; R203-N207 PolarHBondContact O-N 3.1Å; R203-N207 VanDerWaalsContact O-N 3.15Å
204G74.3Confident74.3Confident7 Ų778.5 Ų78.57%0.07237%0.368CS..Hα-helixtrans-65.1-43.7171.600000113.3F127 L200 F201 F202 N207 Y208F127-G204 WeakPolarHBondContact CZ-O 3.48Å; L200-G204 PolarHBondContact O-N 3.38Å; F201-G204 PolarHBondContact O-N 3.08Å; F202-G204 VanDerWaalsContact C-N 3.34Å; F202-G204 PolarHBondContact O-N 3.09Å; G204-N207 PolarHBondContact O-N 2.84Å; G204-Y208 PolarHBondContact O-N 3.33Å
205F73.3Confident72.9Confident97 Ų9778.4 Ų78.443%0.42537%0.373SS..Hα-helixtrans-67.8-38.4-179.9-174.3-96.9000113.1F201 F202 Y208 A209F201-F205 WeakPolarHBondContact O-CB 3.21Å; F201-F205 PolarHBondContact O-N 3.37Å; F202-F205 CarbonylContact O-C 3.59Å; F202-F205 PolarHBondContact O-N 2.85Å; F205-Y208 WeakPolarHBondContact O-CB 3.16Å; F205-Y208 PolarHBondContact O-N 2.94Å; F205-A209 HydrophobicContact CE1-CB 4.48Å; F205-A209 VanDerWaalsContact O-CB 3.24Å; F205-A209 WeakPolarHBondContact O-CB 3.18Å; F205-A209 PolarHBondContact O-N 2.75Å
206I76.1Confident71.5Confident104 Ų10479.4 Ų79.453%0.53338%0.376SS..Hα-helixtrans-67.7-39.2176-69.9162.1000109.7F202 Y208 A209 R210F202-I206 HydrophobicContact CB-CD1 4.35Å; F202-I206 VanDerWaalsContact O-CB 3.24Å; F202-I206 WeakPolarHBondContact O-CB 3.43Å; F202-I206 WeakPolarHBondContact O-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.27Å; F202-I206 PolarHBondContact O-N 2.95Å; I206-Y208 VanDerWaalsContact C-N 3.34Å; I206-A209 PolarHBondContact O-N 3.5Å; I206-R210 VanDerWaalsContact O-CB 3.25Å; I206-R210 WeakPolarHBondContact O-CB 3.15Å; I206-R210 PolarHBondContact O-N 3.35Å
207N74.2Confident70.1Confident50 Ų5079.9 Ų79.927%0.26738%0.382SS..Hα-helixtrans-61-46.1174.8-159.619.7000110.6R203 G204 R210 I211R203-N207 WeakPolarHBondContact O-CB 3.48Å; R203-N207 PolarHBondContact O-N 3.1Å; R203-N207 VanDerWaalsContact O-N 3.15Å; G204-N207 PolarHBondContact O-N 2.84Å; N207-R210 WeakPolarHBondContact O-CB 3.31Å; N207-R210 PolarHBondContact O-N 3.37Å; N207-I211 VanDerWaalsContact O-CD1 3.22Å; N207-I211 WeakPolarHBondContact O-CD1 3.4Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.36Å; N207-I211 PolarHBondContact O-N 3.11Å
208Y69.1Low68.5Low19 Ų1987.3 Ų87.38%0.07542%0.415CS..Hα-helixtrans-61.2-47.1172.8174.3-103000113.4D124 F127 M128 G204 F205 I206 R210 I211 R212D124-Y208 HydrophobicContact CB-CE2 3.92Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.13Å; D124-Y208 PolarHBondContact OD1-OH 3.09Å; F127-Y208 AromaticContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CE2 4.22Å; F127-Y208 AromaticContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CE1-CD1 4.47Å; F127-Y208 AromaticContact CE1-CD2 3.79Å; F127-Y208 HydrophobicContact CE1-CD2 3.79Å; F127-Y208 AromaticContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CG-CD2 4.23Å; F127-Y208 HydrophobicContact CZ-CG 4.39Å; M128-Y208 HydrophobicContact CE-CD1 4.05Å; M128-Y208 HydrophobicContact CE-CE1 3.51Å; M128-Y208 HydrophobicContact CE-CE2 4.1Å; G204-Y208 PolarHBondContact O-N 3.33Å; F205-Y208 WeakPolarHBondContact O-CB 3.16Å; F205-Y208 PolarHBondContact O-N 2.94Å; I206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-R210 VanDerWaalsContact C-N 3.28Å; Y208-R210 PolarHBondContact O-N 2.81Å; Y208-I211 PolarHBondContact O-N 3.25Å; Y208-R212 PolarHBondContact O-N 2.85Å
209A65.3Low66.9Low34 Ų3486.7 Ų86.728%0.28142%0.423SS..Hα-helixtrans-65.9-31179.900000112.3F205 I206 K213F205-A209 HydrophobicContact CE1-CB 4.48Å; F205-A209 VanDerWaalsContact O-CB 3.24Å; F205-A209 WeakPolarHBondContact O-CB 3.18Å; F205-A209 PolarHBondContact O-N 2.75Å; I206-A209 PolarHBondContact O-N 3.5Å; A209-K213 WeakPolarHBondContact O-CB 3.11Å; A209-K213 PolarHBondContact O-N 3.42Å
210R63.7Low65.4Low161 Ų16187 Ų8761%0.60843%0.429SS*.Hα-helixtrans-65.2-46.7174.4-167.4-170.1-162.1-161.56.5110.5I206 N207 Y208 K213 M214I206-R210 VanDerWaalsContact O-CB 3.25Å; I206-R210 WeakPolarHBondContact O-CB 3.15Å; I206-R210 PolarHBondContact O-N 3.35Å; N207-R210 WeakPolarHBondContact O-CB 3.31Å; N207-R210 PolarHBondContact O-N 3.37Å; Y208-R210 VanDerWaalsContact C-N 3.28Å; Y208-R210 PolarHBondContact O-N 2.81Å; R210-K213 PolarHBondContact O-N 2.86Å; R210-M214 HydrophobicContact CG-CE 3.75Å; R210-M214 HydrophobicContact CG-SD 4.44Å; R210-M214 VanDerWaalsContact O-CG 3.27Å; R210-M214 WeakPolarHBondContact O-CG 3.46Å; R210-M214 PolarHBondContact O-N 3.29Å
211I59.9Low63.9Low100 Ų10091.2 Ų91.251%0.51345%0.451SS..Hα-helixtrans-64.3-42.2178.1-64.3155.7000110.4N207 Y208 M214 A215N207-I211 VanDerWaalsContact O-CD1 3.22Å; N207-I211 WeakPolarHBondContact O-CD1 3.4Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.36Å; N207-I211 PolarHBondContact O-N 3.11Å; Y208-I211 PolarHBondContact O-N 3.25Å; I211-M214 PolarHBondContact O-N 3.01Å; I211-A215 WeakPolarHBondContact O-CB 3.3Å; I211-A215 PolarHBondContact O-N 3.17Å
212R62.5Low62.4Low133 Ų13393.1 Ų93.150%0.50247%0.468SS..Hα-helixtrans-66.9-42.9176.6-167.8170.5-179175.60.5113.2Y208 M214 A215 D216Y208-R212 PolarHBondContact O-N 2.85Å; R212-M214 PolarHBondContact O-N 3.47Å; R212-A215 PolarHBondContact O-N 3.38Å; R212-D216 PolarHBondContact O-N 3.29Å
213K58.9Low60.9Low159 Ų159100.9 Ų100.969%0.69150%0.495SS*.Hα-helixtrans-58.9-37.2173-95.4-172.8172.4-177.40112A209 R210 T217A209-K213 WeakPolarHBondContact O-CB 3.11Å; A209-K213 PolarHBondContact O-N 3.42Å; R210-K213 PolarHBondContact O-N 2.86Å; K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.37Å
214M55.8Low59.7Low90 Ų9099.4 Ų99.444%0.44350%0.501SS..Hα-helixtrans-70.7-43.8175.9-69172.5-179.200111.3R210 I211 R212 D216 T217 F218R210-M214 HydrophobicContact CG-CE 3.75Å; R210-M214 HydrophobicContact CG-SD 4.44Å; R210-M214 VanDerWaalsContact O-CG 3.27Å; R210-M214 WeakPolarHBondContact O-CG 3.46Å; R210-M214 PolarHBondContact O-N 3.29Å; I211-M214 PolarHBondContact O-N 3.01Å; R212-M214 PolarHBondContact O-N 3.47Å; M214-D216 VanDerWaalsContact C-N 3.35Å; M214-D216 PolarHBondContact O-N 3.09Å; M214-T217 WeakPolarHBondContact O-CA 3.32Å; M214-T217 WeakPolarHBondContact O-CB 3.25Å; M214-T217 PolarHBondContact O-N 3.44Å; M214-T217 VanDerWaalsContact O-N 3.07Å; M214-F218 HydrophobicContact CB-CE2 4.46Å; M214-F218 WeakPolarHBondContact O-CD2 3.48Å; M214-F218 PolarHBondContact O-N 3.48Å
215A56.4Low58.7Low41 Ų41110 Ų11034%0.33954%0.539SS..Hα-helixtrans-61.2-38.917600000113.1I211 R212 T217 F218 S219I211-A215 WeakPolarHBondContact O-CB 3.3Å; I211-A215 PolarHBondContact O-N 3.17Å; R212-A215 PolarHBondContact O-N 3.38Å; A215-T217 VanDerWaalsContact C-N 3.34Å; A215-F218 PolarHBondContact O-N 2.9Å; A215-S219 WeakPolarHBondContact O-CB 3.41Å; A215-S219 PolarHBondContact O-N 3.19Å; A215-S219 PolarHBondContact O-OG 3.34Å
216D56.9Low57.9Low90 Ų90111.5 Ų111.548%0.48156%0.556SS.*Hα-helixtrans-66.1-37.5172.7-70-28.9000111.2R212 M214 S219 T220R212-D216 PolarHBondContact O-N 3.29Å; M214-D216 VanDerWaalsContact C-N 3.35Å; M214-D216 PolarHBondContact O-N 3.09Å; D216-S219 VanDerWaalsContact CA-OG 3.3Å; D216-S219 WeakPolarHBondContact CA-OG 3.49Å; D216-S219 PolarHBondContact O-N 2.91Å; D216-S219 PolarHBondContact O-OG 2.85Å; D216-T220 WeakPolarHBondContact O-CG2 3.03Å; D216-T220 PolarHBondContact O-N 2.87Å; D216-T220 VanDerWaalsContact O-N 3.16Å
217T57.5Low56.9Low91 Ų91114.3 Ų114.356%0.55857%0.571SS**Hα-helixtrans-66.1-41.3176.4-53.50000111.7K213 M214 A215 T220K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.37Å; M214-T217 WeakPolarHBondContact O-CA 3.32Å; M214-T217 WeakPolarHBondContact O-CB 3.25Å; M214-T217 PolarHBondContact O-N 3.44Å; M214-T217 VanDerWaalsContact O-N 3.07Å; A215-T217 VanDerWaalsContact C-N 3.34Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.17Å
218F52Low55.8Low157 Ų157121.1 Ų121.169%0.68960%0.599SS**Hα-helixtrans-72.9-31.5177-73.9-69000113.6M214 A215 T220 L221M214-F218 HydrophobicContact CB-CE2 4.46Å; M214-F218 WeakPolarHBondContact O-CD2 3.48Å; M214-F218 PolarHBondContact O-N 3.48Å; A215-F218 PolarHBondContact O-N 2.9Å; F218-T220 VanDerWaalsContact C-N 3.33Å; F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 3.36Å
219S50.2Low55.5Low86 Ų86128.3 Ų128.360%0.60164%0.637SS**Hα-helixtrans-74.9-20.4176.155.10000113.7A215 D216 L221A215-S219 WeakPolarHBondContact O-CB 3.41Å; A215-S219 PolarHBondContact O-N 3.19Å; A215-S219 PolarHBondContact O-OG 3.34Å; D216-S219 VanDerWaalsContact CA-OG 3.3Å; D216-S219 WeakPolarHBondContact CA-OG 3.49Å; D216-S219 PolarHBondContact O-N 2.91Å; D216-S219 PolarHBondContact O-OG 2.85Å; S219-L221 VanDerWaalsContact C-N 3.29Å
220T51.9Low54.5Low109 Ų109141.2 Ų141.267%0.66968%0.68SS**THydrogen-bonded Turntrans-78.5-8.2168.563.80000114D216 T217 F218 P222D216-T220 WeakPolarHBondContact O-CG2 3.03Å; D216-T220 PolarHBondContact O-N 2.87Å; D216-T220 VanDerWaalsContact O-N 3.16Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.17Å; F218-T220 VanDerWaalsContact C-N 3.33Å; T220-P222 WeakPolarHBondContact O-CD 3.41Å
221L46.7Very low54.1Low133 Ų133140.3 Ų140.370%0.69668%0.684SS**SBendtrans-71.5114.8169.5-137.983.3000107.6F218 S219 R223F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 3.36Å; S219-L221 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.47Å
222P48.4Very low53.8Low86 Ų86142.4 Ų142.456%0.55869%0.693SS**  trans-64.7128.5-163.425.9-34.2000109.8T220 T224T220-P222 WeakPolarHBondContact O-CD 3.41Å; P222-T224 HydrophobicContact CB-CG2 3.68Å; P222-T224 WeakPolarHBondContact CB-OG1 3.43Å; P222-T224 HydrophobicContact CG-CG2 4.5Å; P222-T224 WeakPolarHBondContact CG-OG1 3.42Å; P222-T224 PolarHBondContact O-N 3.33Å; P222-T224 PolarHBondContact O-OG1 3.37Å
223R49.2Very low53.3Low239 Ų239142.9 Ų142.990%0.90270%0.704SS**SBendtrans-58.856.1157.2-165.4-178-148.4147.65.8110L221L221-R223 PolarHBondContact O-N 3.47Å
224T51.2Low52.9Low101 Ų101141.9 Ų141.962%0.6270%0.704SS**  trans-119.724.7-178.352.70000111.6P222P222-T224 HydrophobicContact CB-CG2 3.68Å; P222-T224 WeakPolarHBondContact CB-OG1 3.43Å; P222-T224 HydrophobicContact CG-CG2 4.5Å; P222-T224 WeakPolarHBondContact CG-OG1 3.42Å; P222-T224 PolarHBondContact O-N 3.33Å; P222-T224 PolarHBondContact O-OG1 3.37Å
225R54.5Low52.8Low230 Ų230145.2 Ų145.287%0.86872%0.721SS**SBendtrans-128.132.1178-67.4-81.1-178.1-173.8-3.2112.8
226V54.7Low52.5Low128 Ų128152.1 Ų152.178%0.77675%0.746SS**SBendtrans-130.79.3167.8-780000114.1
227L56.6Low52.2Low164 Ų164156.6 Ų156.686%0.85977%0.765SS**SBendtrans-109.112.2172.7-105168.7000114
228F51.1Low51.8Low192 Ų192161.6 Ų161.684%0.84278%0.781SS**SBendtrans-142.887.2174.5-95.1-87.5000108.5
229I61.8Low51.8Low170 Ų170162 Ų16287%0.87279%0.789SS**  trans-176115.9133-83.7145.1000106.5
230Y45.3Very low51.9Low306 Ų306168.9 Ų168.9100%1.281%0.806SS**  trans76.80165.5-121.6-97.4000119.3

Retrieved 230 of 230 residues in 49.2 ms (Link to these results)