A0A061IIF5_CRIGR Loading...

Small ribosomal subunit protein mS31

AlphaFold DB , UniProt , Accession A0A061IIF5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mrps31, Length 387 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.9Very low38.9Very low244 Ų244180.3 Ų180.3100%1.20289%0.891SS**  0102.50-67.9-165.4-175.200107.9
2L31.8Very low38.8Very low178 Ų178185.1 Ų185.193%0.93289%0.891SS**  trans-114.2119.3-172.4-69.3164.3000108.3
3R38.6Very low38.7Very low251 Ų251180.4 Ų180.495%0.94789%0.885SS**PPolyproline II helixtrans-88.7125.9176.2-76.6-170.6174.3-155.4-0.2109.7
4R36.8Very low38.5Very low246 Ų246182.4 Ų182.493%0.92889%0.887SS**PPolyproline II helixtrans-66134.6178.8-80177.5175.1170.6-2.3111.6
5I42.5Very low38.5Very low159 Ų159178.2 Ų178.282%0.81588%0.883SS**PPolyproline II helixtrans-85.4135.8165.2-59.2167.5000107.5
6P40.7Very low38.4Very low119 Ų119171.4 Ų171.477%0.77387%0.873SS**PPolyproline II helixtrans-78.9137.5175.230.7-30.3000111.3
7A37.9Very low38.2Very low95 Ų95171.3 Ų171.379%0.78587%0.874SS**PPolyproline II helixtrans-70.7137.2-175.200000113
8L40.1Very low38.1Very low176 Ų176168 Ų16892%0.92187%0.865SS**PPolyproline II helixtrans-63127.1166-77.6155.6000110.1R10L8-R10 PolarHBondContact O-N 3.3Å
9I40.8Very low37.9Very low165 Ų165168.6 Ų168.685%0.84687%0.869SS**PPolyproline II helixtrans-71.3121.2174.4-65.6170.3000108.4
10R37.5Very low37.5Very low230 Ų230166 Ų16687%0.86887%0.866SS**PPolyproline II helixtrans-79.6129175-149.8-176.9-159.1-176.64.8109L8L8-R10 PolarHBondContact O-N 3.3Å
11P37.6Very low37.5Very low120 Ų120163.7 Ų163.778%0.77987%0.865SS**PPolyproline II helixtrans-70136.2170.926.5-30000110.2
12R37.5Very low36.7Very low238 Ų238155.7 Ų155.790%0.89884%0.844SS**PPolyproline II helixtrans-71.4148.9176-79-171.4-175.8-166.32.5110.8
13P37.2Very low36.6Very low124 Ų124154.6 Ų154.681%0.80584%0.839SS**PPolyproline II helixtrans-74.4141.3-178.530.6-32.9000111.5S15P13-S15 PolarHBondContact O-N 3.13Å
14F35.8Very low36.1Very low209 Ų209153.9 Ų153.992%0.91784%0.837SS**PPolyproline II helixtrans-59.1127.9168.5-81.3-90.3000110.2G16F14-G16 PolarHBondContact O-N 3.25Å
15S38.7Very low35.7Very low119 Ų119148.5 Ų148.583%0.83283%0.827SS**  trans-68.1112.2171.250.60000109.9P13P13-S15 PolarHBondContact O-N 3.13Å
16G36.7Very low35.1Very low69 Ų69146.7 Ų146.771%0.71182%0.823SS**  trans-76.5141.1168.300000111.9F14F14-G16 PolarHBondContact O-N 3.25Å
17L34.6Very low34.5Very low170 Ų170146.8 Ų146.889%0.8983%0.826SS**  trans-141.5154155.9-85.5176.6000108.9
18P37.6Very low34.2Very low112 Ų112148.6 Ų148.673%0.72783%0.827SS**PPolyproline II helixtrans-96.4156.2-13335.2-36.1000115S20P18-S20 PolarHBondContact O-N 3.34Å
19L34.3Very low33.6Very low179 Ų179144.7 Ų144.794%0.93782%0.82SS**PPolyproline II helixtrans-51.1121.4159.2-75.2155.9000110
20S28.5Very low33Very low116 Ų116142.4 Ų142.481%0.81181%0.814SS**PPolyproline II helixtrans-95118.4164.9179.40000108.5P18P18-S20 PolarHBondContact O-N 3.34Å
21S37.5Very low32.4Very low119 Ų119137.4 Ų137.483%0.83281%0.812SS**PPolyproline II helixtrans-74.4131.6165.846.80000109.9
22G27.7Very low32.2Very low75 Ų75137.2 Ų137.277%0.77381%0.809SS**  trans-161.190.4172.800000110.4
23N30.5Very low31.9Very low155 Ų155130.9 Ų130.983%0.82980%0.799SS**  trans-71.5140.4164-83.1-27000109.5
24W28.4Very low31.6Very low237 Ų237131 Ų13190%0.89880%0.8SS**  -169121120.3-88.8-28.1000112.1
25D27.4Very low31.2Very low133 Ų133127.9 Ų127.971%0.71180%0.798SS**  trans48.4115.6131.8-65.6-39.4000122.3
26V30.9Very low30.7Very low121 Ų121127.1 Ų127.173%0.73380%0.798SS**  53.2110.3127.7-169.50000118.6
27S28Very low30.3Very low120 Ų120135.6 Ų135.684%0.83981%0.809SS**  -159.1101.6122.9-82.50000109.8A29S27-A29 PolarHBondContact O-N 2.88Å
28V31.4Very low30.1Very low134 Ų134133.2 Ų133.281%0.81281%0.807SS**  trans-78.2104169.5175.90000107.4V30V28-V30 HydrophobicContact CG1-CG2 4.03Å
29A26.4Very low29.6Very low94 Ų94131.5 Ų131.578%0.77781%0.81SS**  trans-99.4102.716500000108.5S27 C31S27-A29 PolarHBondContact O-N 2.88Å; A29-C31 PolarHBondContact O-N 2.91Å
30V28Very low29.5Very low116 Ų116130.4 Ų130.470%0.70381%0.81SS**  trans-69.3107168.8175.70000107.9V28 V32V28-V30 HydrophobicContact CG1-CG2 4.03Å; V30-V32 HydrophobicContact CG1-CG2 3.96Å
31C26.5Very low29.5Very low125 Ų125128.1 Ų128.185%0.84581%0.805SS**  trans-90.8100.2164.4-99.50000109A29A29-C31 PolarHBondContact O-N 2.91Å
32V32.6Very low29.6Very low117 Ų117134.5 Ų134.571%0.70981%0.811SS**PPolyproline II helixtrans-67.1126.9165.5176.40000108.7V30V30-V32 HydrophobicContact CG1-CG2 3.96Å
33P31.2Very low29.8Very low105 Ų105136.2 Ų136.268%0.68281%0.806SS**PPolyproline II helixtrans-78.3142.9167.930.4-30.1000110.1T35P33-T35 PolarHBondContact O-N 3.36Å
34P30.6Very low30.4Very low127 Ų127138.4 Ų138.483%0.82581%0.812SS**PPolyproline II helixtrans-71.8130.7-177.628.3-31.7000111.3A36P34-A36 PolarHBondContact O-N 3.26Å
35T28Very low31.2Very low142 Ų142133.5 Ų133.587%0.87180%0.803SS**PPolyproline II helixtrans-64.1116.9170.345.50000110.9P33P33-T35 PolarHBondContact O-N 3.36Å
36A28.2Very low31.6Very low103 Ų103135 Ų13585%0.85181%0.811SS**PPolyproline II helixtrans-79.9131.2169.900000110.8P34P34-A36 PolarHBondContact O-N 3.26Å
37R28.8Very low32.3Very low247 Ų247135 Ų13593%0.93281%0.806SS**PPolyproline II helixtrans-69.2129.9-178.1-157.6173.3-179.7-174.2-0.3110.2
38S29.6Very low32.8Very low121 Ų121137.8 Ų137.885%0.84681%0.805SS**PPolyproline II helixtrans-71.4127174.254.60000110.9
39G27.8Very low33.2Very low76 Ų76141.7 Ų141.778%0.78481%0.806SS**  trans-136.4109.4173.200000109.2G41G39-G41 PolarHBondContact O-N 2.8Å
40T30.8Very low33.7Very low156 Ų156145.8 Ų145.896%0.95781%0.808SS**  trans-70.2117.2179.9-280000109.9
41G29.8Very low34Very low67 Ų67150.5 Ų150.569%0.69182%0.82SS**  trans-145.4104.7172.900000109.6G39 T43G39-G41 PolarHBondContact O-N 2.8Å; G41-T43 PolarHBondContact O-N 3.1Å
42R38.2Very low34.2Very low253 Ų253147.8 Ų147.896%0.95581%0.813SS**  trans-69.5117.8170.4-85.9179.8165.3-177.8-4.7108.8
43T32Very low34.5Very low111 Ų111149.5 Ų149.568%0.68182%0.824SS**  trans-142.1116.4159.246.20000108.8G41 N45G41-T43 PolarHBondContact O-N 3.1Å; T43-N45 PolarHBondContact O-N 3.45Å
44E44.6Very low34.5Very low202 Ų202147.9 Ų147.994%0.94483%0.826SS**  trans-73103.8176.7-68.1177.9157.500110
45N43.8Very low35Very low133 Ų133147.3 Ų147.371%0.71183%0.825SS**  trans-126121.4179.4-57.1-0.1000110.1T43T43-N45 PolarHBondContact O-N 3.45Å
46N36.9Very low35.2Very low165 Ų165145.6 Ų145.688%0.88282%0.818SS**  trans-62.5143.6-174.4-161.6-17.3000112.9
47I45Very low35.6Very low122 Ų122148.2 Ų148.263%0.62682%0.816SS**  trans-73.5139.1-169-63.7161.8000112.1R49I47-R49 HydrophobicContact CG2-CB 4.44Å; I47-R49 HydrophobicContact CG2-CG 3.58Å
48Q39.1Very low35.7Very low178 Ų178145.1 Ų145.183%0.83281%0.806SS**  trans-119108.7147.3-75.5-165.4-36.100108.7H50Q48-H50 PolarHBondContact O-N 3.49Å
49R40.3Very low36.3Very low216 Ų216144.5 Ų144.582%0.81580%0.802SS**  trans-71117176.2-70.3-174.4177.5-177.1-2.6108.7I47I47-R49 HydrophobicContact CG2-CB 4.44Å; I47-R49 HydrophobicContact CG2-CG 3.58Å
50H35.1Very low36.6Very low179 Ų179148.6 Ų148.683%0.82980%0.798SS**  trans-77.2128.7162.5-69.8-84.6000108.4Q48 G52Q48-H50 PolarHBondContact O-N 3.49Å; H50-G52 PolarHBondContact O-N 2.82Å
51F34.3Very low37.1Very low215 Ų215150.2 Ų150.294%0.94379%0.791SS**  trans-70.698.5168.7-71.9-85.8000108.3
52G32.3Very low37.3Very low69 Ų69153.4 Ų153.471%0.71179%0.793SS**  trans-103.5120.2163.500000108.5H50 G54H50-G52 PolarHBondContact O-N 2.82Å; G52-G54 PolarHBondContact O-N 3.38Å; G52-G54 VanDerWaalsContact O-N 3.13Å
53T38.1Very low37.1Very low153 Ų153146 Ų14694%0.93978%0.78SS**  trans-69.9100168.112.20000108.3
54G32.1Very low37.1Very low71 Ų71150 Ų15073%0.73279%0.791SS**  trans-76.9119.3168.700000109.8G52 C56G52-G54 PolarHBondContact O-N 3.38Å; G52-G54 VanDerWaalsContact O-N 3.13Å; G54-C56 PolarHBondContact O-N 3.39Å; G54-C56 VanDerWaalsContact O-N 3.16Å
55S39.5Very low36.7Very low114 Ų114145.3 Ų145.380%0.79778%0.78SS**  trans-72.69916359.60000108.3I57S55-I57 PolarHBondContact O-N 3.2Å
56C32.6Very low36.2Very low107 Ų107145 Ų14572%0.72378%0.783SS**  trans-78.7105166.5-1730000107.9G54 Y58G54-C56 PolarHBondContact O-N 3.39Å; G54-C56 VanDerWaalsContact O-N 3.16Å; C56-Y58 PolarHBondContact O-N 2.87Å
57I37.2Very low36.2Very low157 Ų157142.5 Ų142.581%0.80578%0.775SS**  trans-79.7104.3160.7-61.9-173.9000105.7S55S55-I57 PolarHBondContact O-N 3.2Å
58Y31.4Very low35.3Very low182 Ų182141.7 Ų141.771%0.71479%0.787SS**  trans-104.3106167.1-147.6-93.2000108.2C56 K60C56-Y58 PolarHBondContact O-N 2.87Å; Y58-K60 HydrophobicContact CD1-CG 4.02Å; Y58-K60 HydrophobicContact CE1-CD 4.28Å; Y58-K60 HydrophobicContact CE1-CG 3.89Å; Y58-K60 PolarHBondContact O-N 3.36Å
59S41.4Very low35Very low109 Ų109140.7 Ų140.776%0.76279%0.787SS**  trans-75.3110.7166.653.80000108.7
60K33.7Very low34.5Very low161 Ų161138.8 Ų138.870%0.779%0.788SS**  trans-115.7114.2157.2-97.6-173.2173.3-169.10108.9Y58Y58-K60 HydrophobicContact CD1-CG 4.02Å; Y58-K60 HydrophobicContact CE1-CD 4.28Å; Y58-K60 HydrophobicContact CE1-CG 3.89Å; Y58-K60 PolarHBondContact O-N 3.36Å
61K42.7Very low34.3Very low190 Ų190138.5 Ų138.583%0.82679%0.79SS**  trans-70.2131.4151.5-78.5176.6171.1-175.50107.1
62D32.2Very low34.3Very low134 Ų134132.9 Ų132.972%0.71778%0.778SS**  trans-161.7112.7150.6-75.9-41.5000103.4
63S35.7Very low34.4Very low98 Ų98138 Ų13869%0.68578%0.784SS**  cis60.759.248-43.40000113.9
64Q30.8Very low33.8Very low196 Ų196140.1 Ų140.192%0.91678%0.78SS**  trans-170.7137.6135.5-116.5161.7-19.200114.5
65S36.9Very low33.5Very low102 Ų102143.4 Ų143.471%0.71379%0.786SS**  trans-98.6-171.6-178.347.50000111.5
66V33.5Very low33.2Very low127 Ų127142 Ų14277%0.7778%0.781SS**  trans106.9143.5158.8-167.60000113.7
67P36.3Very low33.1Very low112 Ų112145.8 Ų145.873%0.72779%0.788SS**  -131.9170.7-53.637-18.3000111.5
68A26.5Very low32.9Very low106 Ų106145 Ų14588%0.87679%0.791SS**  trans-122.3113.1164.700000110.1
69N32.3Very low33.2Very low156 Ų156145.7 Ų145.783%0.83480%0.801SS**  trans-65.7150.6175.2-99.4-7.9000112.6
70E29.4Very low32.9Very low177 Ų177143.6 Ų143.683%0.82780%0.796SS**  trans-49.5138166.3-60.9173.2126.100113.7
71I31.7Very low33.4Very low172 Ų172142.8 Ų142.888%0.88280%0.8SS**  trans-134.4124142.2-61.6-178.6000108.6
72S35Very low33.4Very low98 Ų98142.8 Ų142.869%0.68579%0.794SS**  trans-73.1144.5177.3-83.70000114
73Q32.4Very low34.4Very low177 Ų177142.8 Ų142.883%0.82779%0.79SS**  trans15125.5143.4-60.8-178.7-7.600120.2
74K26.8Very low35.4Very low197 Ų197143.9 Ų143.986%0.85778%0.784SS**  -179.5145.2107.4-106.1179.6179.3177.20114.5
75T25.4Very low36.6Very low139 Ų139138.1 Ų138.185%0.85376%0.763SS**  trans100115151.8-190000117.9
76A33.5Very low37.7Very low85 Ų85139 Ų13970%0.70276%0.756SS**  trans-86.6167.2169.400000111.4
77E29.7Very low39.4Very low187 Ų187139.4 Ų139.487%0.87475%0.747SS**  trans118.6131.5154.1-62.1-172.1177.700117
78T33.2Very low40.9Very low141 Ų141139.9 Ų139.987%0.86574%0.737SS**  trans97.181.2170.5-26.70000116.9
79Q37.3Very low43Very low196 Ų196139.5 Ų139.592%0.91672%0.721SS**  trans-144.999.3158.5-138.7163.2-19.300109.2
80G35.9Very low45Very low65 Ų65137.3 Ų137.367%0.6771%0.708SS**SBendtrans-140.8-34.5-179.700000114.7
81D44Very low47.2Very low144 Ų144134.5 Ų134.577%0.7770%0.698SS**SBendtrans-102.2-2.8-166.7-78.1-28.3000116.4
82R42.5Very low49.2Very low189 Ų189130.9 Ų130.971%0.71368%0.681SS**Hα-helixtrans-86.6-21.8-170.5-156.8168.5174.9163-2.6114.5T85R82-T85 PolarHBondContact O-OG1 3.32Å
83E53.3Low51.2Low135 Ų135131.3 Ų131.363%0.63167%0.674SS**Hα-helixtrans-83.2-25.8-177-70.9-166.9175.300114.2K87E83-K87 PolarHBondContact O-N 2.93Å
84E55.9Low53.3Low121 Ų121127.8 Ų127.857%0.56566%0.661SS**Hα-helixtrans-73-34.5-179.7-78.2-157.8175.700113.2Q86 K87 K88E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-K88 VanDerWaalsContact O-CG 3.3Å; E84-K88 WeakPolarHBondContact O-CG 3.34Å; E84-K88 PolarHBondContact O-N 3.17Å; E84-K88 VanDerWaalsContact O-N 3.12Å; E84-K88 IonicContact OE2-NZ 2.85Å; E84-K88 PolarHBondContact OE2-NZ 3.22Å
85T56.3Low55.6Low75 Ų75125.8 Ų125.846%0.4665%0.652SS.*Hα-helixtrans-68.9-35.3-17954.10000111.5R82 K88 N89R82-T85 PolarHBondContact O-OG1 3.32Å; T85-K88 PolarHBondContact O-N 3.31Å; T85-N89 PolarHBondContact O-N 3.49Å; T85-N89 PolarHBondContact O-ND2 3.33Å
86Q61.3Low57.6Low120 Ų120125.9 Ų125.956%0.56165%0.648SS**Hα-helixtrans-69-37.7177.1-66.1-177-12.400112.6E84 N89 L90E84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-N89 PolarHBondContact O-N 3.13Å; Q86-L90 PolarHBondContact O-N 2.73Å
87K67.4Low59.2Low136 Ų136128.6 Ų128.659%0.59165%0.647SS**Hα-helixtrans-70.1-36176.1-68174.7-174.1167.10112.1E83 E84 L91E83-K87 PolarHBondContact O-N 2.93Å; E84-K87 PolarHBondContact O-N 3.18Å; K87-L91 WeakPolarHBondContact O-CG 3.45Å; K87-L91 PolarHBondContact O-N 3.46Å
88K68.6Low60.7Low121 Ų121127.7 Ų127.753%0.52664%0.641SS.*Hα-helixtrans-66.6-40174.9-70.3167.9-169.9164.90111.6E84 T85 L90 L91 D92E84-K88 VanDerWaalsContact O-CG 3.3Å; E84-K88 WeakPolarHBondContact O-CG 3.34Å; E84-K88 PolarHBondContact O-N 3.17Å; E84-K88 VanDerWaalsContact O-N 3.12Å; E84-K88 IonicContact OE2-NZ 2.85Å; E84-K88 PolarHBondContact OE2-NZ 3.22Å; T85-K88 PolarHBondContact O-N 3.31Å; K88-L90 PolarHBondContact O-N 3.39Å; K88-L91 PolarHBondContact O-N 2.91Å; K88-D92 PolarHBondContact O-N 2.87Å; K88-D92 VanDerWaalsContact O-N 3.16Å
89N70.7Confident61.8Low99 Ų99126.8 Ų126.853%0.52964%0.635SS.*Hα-helixtrans-63.6-36.7176.9-70.2-22.2000113.2T85 Q86 I93T85-N89 PolarHBondContact O-N 3.49Å; T85-N89 PolarHBondContact O-ND2 3.33Å; Q86-N89 PolarHBondContact O-N 3.13Å; N89-I93 WeakPolarHBondContact O-CD1 3.5Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 2.96Å
90L74.5Confident62.1Low109 Ų109125.3 Ų125.357%0.57163%0.628SS**Hα-helixtrans-73.3-33.1-179.7-140.2157000112Q86 K88 L94Q86-L90 PolarHBondContact O-N 2.73Å; K88-L90 PolarHBondContact O-N 3.39Å; L90-L94 HydrophobicContact CD2-CD1 3.76Å; L90-L94 HydrophobicContact CD2-CG 4.43Å; L90-L94 PolarHBondContact O-N 3.49Å
91L75.1Confident62.6Low118 Ų118130 Ų13062%0.61864%0.636SS**Hα-helixtrans-72.3-33176-70.9171.2000112.9K87 K88 K95K87-L91 WeakPolarHBondContact O-CG 3.45Å; K87-L91 PolarHBondContact O-N 3.46Å; K88-L91 PolarHBondContact O-N 2.91Å; L91-K95 PolarHBondContact O-N 3.45Å; L91-K95 VanDerWaalsContact O-N 3.11Å
92D73.8Confident62.3Low97 Ų97127.8 Ų127.852%0.51963%0.632SS.*Hα-helixtrans-68.9-41.8171.8-97.1-4.7000111.5K88 L94 K95 D96K88-D92 PolarHBondContact O-N 2.87Å; K88-D92 VanDerWaalsContact O-N 3.16Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.37Å; D92-K95 WeakPolarHBondContact O-CB 3.31Å; D92-K95 PolarHBondContact O-N 3.15Å; D92-K95 VanDerWaalsContact O-N 3.17Å; D92-D96 PolarHBondContact O-N 3.13Å
93I77.7Confident62.5Low106 Ų106125.7 Ų125.754%0.54464%0.641SS.*Hα-helixtrans-63.6-38176.4-66163.5000111.8N89 D96 M97N89-I93 WeakPolarHBondContact O-CD1 3.5Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 2.96Å; I93-D96 PolarHBondContact O-N 2.95Å; I93-M97 PolarHBondContact O-N 3.21Å
94L76.1Confident61.6Low104 Ų104124.9 Ų124.955%0.54564%0.644SS.*Hα-helixtrans-71-29.9175.7-87.5161000113.3L90 D92L90-L94 HydrophobicContact CD2-CD1 3.76Å; L90-L94 HydrophobicContact CD2-CG 4.43Å; L90-L94 PolarHBondContact O-N 3.49Å; D92-L94 VanDerWaalsContact C-N 3.33Å; D92-L94 PolarHBondContact O-N 3.37Å
95K74.9Confident61.1Low155 Ų155126.4 Ų126.467%0.67466%0.657SS**Hα-helixtrans-68.2-36.8172.2-98179.1174.4176.90112L91 D92 M97L91-K95 PolarHBondContact O-N 3.45Å; L91-K95 VanDerWaalsContact O-N 3.11Å; D92-K95 WeakPolarHBondContact O-CB 3.31Å; D92-K95 PolarHBondContact O-N 3.15Å; D92-K95 VanDerWaalsContact O-N 3.17Å; K95-M97 VanDerWaalsContact C-N 3.31Å
96D67.1Low60Low141 Ų141128.5 Ų128.575%0.75467%0.669SS**Hα-helixtrans-75-19.5179.7-72.6-12.1000113D92 I93 K98D92-D96 PolarHBondContact O-N 3.13Å; I93-D96 PolarHBondContact O-N 2.95Å; D96-K98 PolarHBondContact O-N 2.91Å
97M67.4Low59Low141 Ų141131.2 Ų131.270%0.69568%0.682SS**THydrogen-bonded Turntrans-8122.3173.7-82.4-173.561.200114.6I93 K95 V99I93-M97 PolarHBondContact O-N 3.21Å; K95-M97 VanDerWaalsContact C-N 3.31Å; M97-V99 PolarHBondContact O-N 3.39Å
98K60.6Low57.5Low169 Ų169131 Ų13174%0.73569%0.692SS**  trans-79.599.9175.7-170174.1176.7-167.60110.8D96 E100D96-K98 PolarHBondContact O-N 2.91Å; K98-E100 PolarHBondContact O-N 2.94Å
99V57.8Low55.9Low122 Ų122131.8 Ų131.874%0.73971%0.707SS**  trans-74.7112.2174.6177.90000110.1M97 L101M97-V99 PolarHBondContact O-N 3.39Å; V99-L101 PolarHBondContact O-N 2.92Å
100E43.3Very low54.4Low165 Ų165136.5 Ų136.577%0.77172%0.723SS**  trans-78.8112.5165.5-66.6-163.6164.200109.7K98 S102K98-E100 PolarHBondContact O-N 2.94Å; E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 3.21Å
101L47Very low52.5Low163 Ų163137.6 Ų137.685%0.85374%0.736SS**  trans-70.786.5171.9-70.9170.2000109.6V99V99-L101 PolarHBondContact O-N 2.92Å
102S37.3Very low50.4Low98 Ų98143.9 Ų143.969%0.68575%0.752SS**  trans-80.7115.8168.350.90000110E100 V104E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 3.21Å; S102-V104 PolarHBondContact O-N 3.25Å; S102-V104 VanDerWaalsContact O-N 3.07Å
103T46.4Very low48.3Very low145 Ų145142.4 Ų142.489%0.8976%0.76SS**  trans-76.184.4174.543.20000110.1
104V33.7Very low46.2Very low117 Ų117147.2 Ų147.271%0.70978%0.777SS**  trans-97.2110.5172.4-178.90000110.3S102 V106S102-V104 PolarHBondContact O-N 3.25Å; S102-V104 VanDerWaalsContact O-N 3.07Å; V104-V106 PolarHBondContact O-N 3.4Å
105N46.5Very low44.1Very low154 Ų154153.7 Ų153.782%0.82479%0.794SS**  trans-69106.8179.7-150.614000110.3
106V33.8Very low42.2Very low118 Ų118152.4 Ų152.472%0.71580%0.802SS**  trans-95106.4175177.90000109.6V104 T108V104-V106 PolarHBondContact O-N 3.4Å; V106-T108 PolarHBondContact O-N 2.91Å
107Q38.7Very low40.5Very low177 Ų177151.5 Ų151.583%0.82781%0.806SS**  trans-66.5115.4169.3-65.2178.310.600109.3
108T35.5Very low38.6Very low131 Ų131149.7 Ų149.780%0.80481%0.814SS**PPolyproline II helixtrans-90135166.649.70000110.2V106V106-T108 PolarHBondContact O-N 2.91Å
109T35.1Very low37.1Very low138 Ų138144.9 Ų144.985%0.84781%0.812SS**PPolyproline II helixtrans-78.3140.7-172.844.50000111.7
110K40.7Very low35.9Very low199 Ų199147.7 Ų147.787%0.86582%0.822SS**PPolyproline II helixtrans-65.2155176.1-63.7175.8177.5175.40111.9
111P33.8Very low35.2Very low131 Ų131148.7 Ų148.785%0.85183%0.826SS**  trans-109.5136.4140.632.8-24000111.4
112R30.4Very low34.1Very low250 Ų250145.9 Ų145.994%0.94383%0.827SS**  trans-104.1115-179179.2-176178.9-157.90.9109.4
113G30.3Very low33.6Very low67 Ų67145.8 Ų145.869%0.69183%0.832SS**  96.8122.5129.400000119.7
114K33.1Very low32.8Very low206 Ų206145.4 Ų145.490%0.89683%0.829SS**  -163.8112.6119.3-109175.5-176178.90112.8
115R33.7Very low32.5Very low240 Ų240144.8 Ų144.891%0.90683%0.83SS**  trans43138.6150.9-68.3-174.3-178.7175.20.5123.7
116P33.4Very low31.7Very low129 Ų129147.9 Ų147.984%0.83883%0.83SS**  trans-91.3151.6176.737.4-33.3000112.8
117S31.5Very low31.6Very low122 Ų122151 Ų15185%0.85384%0.836SS**  trans-111.1135.5159.6550000110
118A27.3Very low31.3Very low102 Ų102154.1 Ų154.184%0.84384%0.841SS**  trans-72.5148.5-167.400000114.6
119G29.4Very low31.3Very low68 Ų68159.7 Ų159.770%0.70185%0.847SS**  trans23.8117.513700000120.3
120L33.5Very low31Very low181 Ų181157.3 Ų157.395%0.94884%0.842SS**  trans-141.5120.1131.7-108.4131.1000108.8
121Q27.7Very low30.7Very low186 Ų186153.7 Ų153.787%0.86984%0.838SS**  trans-73.6168.3174.6-65.5176.92.600111
122A25.5Very low30.8Very low105 Ų105156.6 Ų156.687%0.86884%0.841SS**  trans100.5125.9171.200000113.5
123A25.9Very low31Very low95 Ų95151.9 Ų151.979%0.78583%0.834SS**  cis-147.2129.99.800000109.7S125A123-S125 PolarHBondContact O-N 3.22Å; A123-S125 VanDerWaalsContact O-N 3.17Å
124V28.6Very low31.6Very low138 Ų138153.9 Ų153.984%0.83684%0.835SS**  trans-72.1100.1167.4173.40000107.6R126V124-R126 PolarHBondContact O-N 3.05Å
125S28Very low31.8Very low103 Ų103149.3 Ų149.372%0.7283%0.826SS**  trans-77.8100.2161.458.30000108.3A123 H127A123-S125 PolarHBondContact O-N 3.22Å; A123-S125 VanDerWaalsContact O-N 3.17Å; S125-H127 PolarHBondContact O-N 3.36Å
126R30.6Very low32.1Very low220 Ų220147 Ų14783%0.8382%0.823SS**  trans-52.4119.1165.4-70.4174.5-176.6173.50.4109.9V124V124-R126 PolarHBondContact O-N 3.05Å
127H31.2Very low32.6Very low182 Ų182147.5 Ų147.584%0.84382%0.818SS**  trans-117111.4147-74.9-18.2000108.6S125S125-H127 PolarHBondContact O-N 3.36Å
128R31.8Very low33.6Very low243 Ų243150.4 Ų150.492%0.91781%0.811SS**PPolyproline II helixtrans-54.2130.3172.7-83.3178.9158.9-176.6-5.6109A130R128-A130 PolarHBondContact O-N 2.97Å
129R36.3Very low34.7Very low248 Ų248151.9 Ų151.994%0.93680%0.804SS**PPolyproline II helixtrans-66.4126.5153.6-75.1-176.6-177.5177.60.3107.9
130A28.7Very low36Very low89 Ų89156.8 Ų156.874%0.73681%0.809SS**PPolyproline II helixtrans-75.7159.1169.600000109.6R128R128-A130 PolarHBondContact O-N 2.97Å
131P34.8Very low37.3Very low122 Ų122154.2 Ų154.279%0.79279%0.79SS**PPolyproline II helixtrans-72.6154.2-164.931.4-32.6000112.2D133P131-D133 PolarHBondContact O-N 3.16Å
132E36.3Very low39.3Very low193 Ų193146.7 Ų146.790%0.90276%0.756SS**PPolyproline II helixtrans-59.4129175.8-63.8-161.7150.600112
133D34Very low41.9Very low151 Ų151144.6 Ų144.681%0.80774%0.735SS**PPolyproline II helixtrans-84.2146.5158.6-80.4-40.7000109.9P131P131-D133 PolarHBondContact O-N 3.16Å
134P41.7Very low44.6Very low109 Ų109145 Ų14571%0.70873%0.732SS**PPolyproline II helixtrans-63.4161-178.526.8-34000112.6K136P134-K136 PolarHBondContact O-N 3.12Å
135P39.1Very low47.5Very low110 Ų110146 Ų14671%0.71473%0.728SS**  trans-70.298.4-162.829.5-34.6000111.2N137P135-N137 PolarHBondContact O-N 3.21Å
136K38.6Very low50.3Low192 Ų192144.7 Ų144.784%0.83571%0.712SS**  trans-74.6121.4165-123.4171.8-178.11760108.2P134 R138P134-K136 PolarHBondContact O-N 3.12Å; K136-R138 WeakPolarHBondContact O-CG 3.34Å; K136-R138 PolarHBondContact O-N 3.03Å
137N44.8Very low53Low139 Ų139136.2 Ų136.274%0.74369%0.685SS**  trans-26.9100.3-177.2-60.5-30.7000114.2P135 N139P135-N137 PolarHBondContact O-N 3.21Å; N137-N139 PolarHBondContact O-N 3.25Å; N137-N139 VanDerWaalsContact O-N 3.08Å
138R51.6Low55.8Low183 Ų183130.5 Ų130.569%0.69167%0.669SS**THydrogen-bonded Turntrans-76.910.9-172.7-65.2-177.2175.3173.9-0.7114.9K136K136-R138 WeakPolarHBondContact O-CG 3.34Å; K136-R138 PolarHBondContact O-N 3.03Å
139N51.3Low58.6Low132 Ų132121.3 Ų121.371%0.70665%0.645SS**THydrogen-bonded Turntrans-1004.2-173.1-68.8-3.4000114.2N137N137-N139 PolarHBondContact O-N 3.25Å; N137-N139 VanDerWaalsContact O-N 3.08Å
140E56.9Low61.1Low171 Ų171109.8 Ų109.880%0.79960%0.603SS**THydrogen-bonded Turntrans-78.6-15.1-178.8-81.1-179.5163.200114.5
141F61Low64Low128 Ų128107 Ų10756%0.56158%0.578SS**THydrogen-bonded Turntrans-89.6-11.8-174.6-66.5-73.1000114.9
142L69.4Low66.7Low27 Ų27104.2 Ų104.214%0.14157%0.565CS.*SBendtrans-111.7136.1-179.1-62.2175.7000109.1V147 L169L142-V147 HydrophobicContact CB-CG2 4.18Å; L142-L169 HydrophobicContact CD1-CD2 4.04Å
143S80.1Confident69.2Low61 Ų6198.3 Ų98.343%0.42754%0.542SS..  trans-63143176.264.40000110.2E145 L146 V147S143-E145 PolarHBondContact O-N 3.33Å; S143-L146 PolarHBondContact O-N 3.48Å; S143-L146 WeakPolarHBondContact OG-CD1 3.42Å; S143-L146 VanDerWaalsContact OG-CG 3.3Å; S143-L146 WeakPolarHBondContact OG-CG 3.32Å; S143-V147 PolarHBondContact O-N 3.08Å
144S82.8Confident71.9Confident105 Ų10591.2 Ų91.273%0.73451%0.505SS*.Hα-helixtrans-55.8-25.8179.4-173.80000112.5A148S144-A148 PolarHBondContact O-N 2.83Å; S144-A148 VanDerWaalsContact O-N 3.16Å
145E87.8Confident74.1Confident158 Ų15890.3 Ų90.374%0.73849%0.494SS*.Hα-helixtrans-69.8-43.8176.7-171.8174.3-173.700112.5S143 V147 A148 A149S143-E145 PolarHBondContact O-N 3.33Å; E145-V147 VanDerWaalsContact C-N 3.3Å; E145-V147 PolarHBondContact O-N 3.42Å; E145-A148 PolarHBondContact O-N 3.36Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.93Å
146L87.4Confident76.4Confident75 Ų7589.3 Ų89.339%0.39349%0.49SS..Hα-helixtrans-66.2-34.5177.7-70.5173.4000111.9S143 A149 A150S143-L146 PolarHBondContact O-N 3.48Å; S143-L146 WeakPolarHBondContact OG-CD1 3.42Å; S143-L146 VanDerWaalsContact OG-CG 3.3Å; S143-L146 WeakPolarHBondContact OG-CG 3.32Å; L146-A149 PolarHBondContact O-N 3.21Å; L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.16Å
147V88.1Confident78.6Confident43 Ų4383.8 Ų83.826%0.26147%0.469SS..Hα-helixtrans-68.3-38.6175.2-179.70000111.5L142 S143 E145 S151 L169L142-V147 HydrophobicContact CB-CG2 4.18Å; S143-V147 PolarHBondContact O-N 3.08Å; E145-V147 VanDerWaalsContact C-N 3.3Å; E145-V147 PolarHBondContact O-N 3.42Å; V147-S151 PolarHBondContact O-N 3.19Å; V147-S151 VanDerWaalsContact O-N 3.14Å; V147-L169 HydrophobicContact CB-CD2 4.48Å; V147-L169 HydrophobicContact CG1-CD1 4.49Å; V147-L169 HydrophobicContact CG2-CD2 4.07Å
148A90.3Very high80.2Confident61 Ų6183.1 Ų83.150%0.50447%0.472SS..Hα-helixtrans-66.3-43.5174.200000111.5S144 E145 S151 A152S144-A148 PolarHBondContact O-N 2.83Å; S144-A148 VanDerWaalsContact O-N 3.16Å; E145-A148 PolarHBondContact O-N 3.36Å; A148-S151 WeakPolarHBondContact O-CB 3.43Å; A148-S151 PolarHBondContact O-N 3.34Å; A148-A152 PolarHBondContact O-N 3.35Å
149A90.3Very high81.5Confident51 Ų5184 Ų8442%0.42148%0.475SS..Hα-helixtrans-62-46.817700000112.2E145 L146 S151 A152 V153E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.93Å; L146-A149 PolarHBondContact O-N 3.21Å; A149-S151 PolarHBondContact O-N 2.83Å; A149-A152 PolarHBondContact O-N 3.32Å; A149-A152 VanDerWaalsContact O-N 3.16Å; A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 3.48Å
150A88.8Confident83Confident6 Ų681.9 Ų81.95%0.0546%0.464CS..Hα-helixtrans-60.8-34.517600000112.1L146 A154 L168 L169L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.16Å; A150-A154 WeakPolarHBondContact O-CB 3.15Å; A150-A154 PolarHBondContact O-N 2.81Å; A150-L168 HydrophobicContact CB-CB 4.43Å; A150-L169 HydrophobicContact CB-CD2 3.92Å; A150-L169 HydrophobicContact CB-CG 4.25Å
151S88.7Confident84.4Confident30 Ų3078.8 Ų78.821%0.2145%0.448CS..Hα-helixtrans-67.3-46.1173.8-153.70000112V147 A148 A149 V153 A154 D155 K165V147-S151 PolarHBondContact O-N 3.19Å; V147-S151 VanDerWaalsContact O-N 3.14Å; A148-S151 WeakPolarHBondContact O-CB 3.43Å; A148-S151 PolarHBondContact O-N 3.34Å; A149-S151 PolarHBondContact O-N 2.83Å; S151-V153 VanDerWaalsContact C-N 3.31Å; S151-V153 PolarHBondContact O-N 3.1Å; S151-A154 PolarHBondContact O-N 2.8Å; S151-D155 PolarHBondContact O-N 3.44Å; S151-K165 PolarHBondContact OG-NZ 3.29Å
152A90.9Very high85.5Confident64 Ų6480.2 Ų80.253%0.52946%0.457SS..Hα-helixtrans-62.2-38.9178.600000112.2A148 A149 D155 S156A148-A152 PolarHBondContact O-N 3.35Å; A149-A152 PolarHBondContact O-N 3.32Å; A149-A152 VanDerWaalsContact O-N 3.16Å; A152-D155 PolarHBondContact O-N 2.84Å; A152-S156 PolarHBondContact O-N 3.44Å
153V89.6Confident86.2Confident69 Ų6982.1 Ų82.142%0.41847%0.469SS..Hα-helixtrans-65.4-46.4174.9173.30000110.5A149 S151 D155 S156 L157 L168A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 3.48Å; S151-V153 VanDerWaalsContact C-N 3.31Å; S151-V153 PolarHBondContact O-N 3.1Å; V153-D155 PolarHBondContact O-N 3.31Å; V153-S156 PolarHBondContact O-N 2.85Å; V153-S156 PolarHBondContact O-OG 3.13Å; V153-L157 HydrophobicContact CG1-CD1 4.13Å; V153-L157 VanDerWaalsContact O-CD1 3.27Å; V153-L157 WeakPolarHBondContact O-CD1 3.39Å; V153-L157 PolarHBondContact O-N 3.16Å; V153-L168 HydrophobicContact CB-CD1 4.4Å; V153-L168 HydrophobicContact CG1-CD1 3.98Å
154A90.3Very high86.5Confident2 Ų280.3 Ų80.32%0.01746%0.456CS..Hα-helixtrans-61-32.4177.300000112.8A150 S151 S156 T164 K165A150-A154 WeakPolarHBondContact O-CB 3.15Å; A150-A154 PolarHBondContact O-N 2.81Å; S151-A154 PolarHBondContact O-N 2.8Å; A154-S156 VanDerWaalsContact C-N 3.32Å; A154-T164 HydrophobicContact CB-CG2 4.29Å; A154-K165 HydrophobicContact CB-CB 3.82Å
155D88.3Confident86.8Confident90 Ų9078.7 Ų78.748%0.48144%0.435SS..Hα-helixtrans-73.5-21.3175.8-77.5-46.5000113.9S151 A152 V153 K161S151-D155 PolarHBondContact O-N 3.44Å; A152-D155 PolarHBondContact O-N 2.84Å; V153-D155 PolarHBondContact O-N 3.31Å; D155-K161 IonicContact OD1-NZ 2.74Å; D155-K161 PolarHBondContact OD1-NZ 2.99Å
156S88.3Confident86.8Confident89 Ų8974.5 Ų74.562%0.62242%0.424SS*.Hα-helixtrans-84.6-16.1177.872.20000114.1A152 V153 A154A152-S156 PolarHBondContact O-N 3.44Å; V153-S156 PolarHBondContact O-N 2.85Å; V153-S156 PolarHBondContact O-OG 3.13Å; A154-S156 VanDerWaalsContact C-N 3.32Å
157L84.9Confident87Confident75 Ų7575.3 Ų75.339%0.39343%0.426SS..SBendtrans-92.5143.8179.4-87.675.4000111.4V153 W159 T164V153-L157 HydrophobicContact CG1-CD1 4.13Å; V153-L157 VanDerWaalsContact O-CD1 3.27Å; V153-L157 WeakPolarHBondContact O-CD1 3.39Å; V153-L157 PolarHBondContact O-N 3.16Å; L157-W159 PolarHBondContact O-N 2.92Å; L157-T164 HydrophobicContact CD2-CG2 4.38Å
158P78.2Confident87Confident126 Ų12675.8 Ų75.882%0.81843%0.426SS*.SBendtrans-76.82.9179.231-34.5000114
159W77.5Confident87Confident201 Ų20174.4 Ų74.476%0.76141%0.41SS*.SBendtrans-90.2175.2179.8-119-103.3000112.2L157 K161L157-W159 PolarHBondContact O-N 2.92Å; W159-K161 PolarHBondContact O-N 3.5Å; W159-K161 VanDerWaalsContact O-N 3.09Å
160D83.3Confident86.9Confident87 Ų8778 Ų7847%0.46541%0.413SS..  trans-58.4116.517917522000111.5Q162 T163 T164D160-Q162 VanDerWaalsContact C-N 3.35Å; D160-Q162 PolarHBondContact O-N 3.31Å; D160-Q162 PolarHBondContact OD1-N 3.43Å; D160-T163 VanDerWaalsContact CB-OG1 3.23Å; D160-T163 WeakPolarHBondContact CB-OG1 3.46Å; D160-T163 PolarHBondContact O-OG1 3.46Å; D160-T163 WeakPolarHBondContact OD2-CG2 3.42Å; D160-T163 PolarHBondContact OD2-OG1 2.95Å; D160-T164 WeakPolarHBondContact O-CB 3.35Å; D160-T164 PolarHBondContact O-N 3.04Å; D160-T164 PolarHBondContact O-OG1 3.16Å
161K87.4Confident86.9Confident107 Ų10782.7 Ų82.747%0.46543%0.434SS..Hα-helixtrans-67.4-36-167.5-59.1-179.9172-157.90112.1D155 W159 K165D155-K161 IonicContact OD1-NZ 2.74Å; D155-K161 PolarHBondContact OD1-NZ 2.99Å; W159-K161 PolarHBondContact O-N 3.5Å; W159-K161 VanDerWaalsContact O-N 3.09Å; K161-K165 VanDerWaalsContact O-CB 3.24Å; K161-K165 WeakPolarHBondContact O-CB 3.49Å; K161-K165 PolarHBondContact O-N 3.22Å
162Q83.8Confident86.8Confident158 Ų15884.7 Ų84.774%0.73844%0.442SS*.Hα-helixtrans-76.9-40.6-175.9-69.2-173.1-10.700111.7D160 S166D160-Q162 VanDerWaalsContact C-N 3.35Å; D160-Q162 PolarHBondContact O-N 3.31Å; D160-Q162 PolarHBondContact OD1-N 3.43Å; Q162-S166 WeakPolarHBondContact O-CB 3.36Å; Q162-S166 PolarHBondContact O-N 3.46Å; Q162-S166 PolarHBondContact O-OG 3.09Å
163T84.3Confident86.6Confident66 Ų6685 Ų8541%0.40543%0.432SS..Hα-helixtrans-67.5-43.3175.146.40000110.8D160 K165 S166 E167D160-T163 VanDerWaalsContact CB-OG1 3.23Å; D160-T163 WeakPolarHBondContact CB-OG1 3.46Å; D160-T163 PolarHBondContact O-OG1 3.46Å; D160-T163 WeakPolarHBondContact OD2-CG2 3.42Å; D160-T163 PolarHBondContact OD2-OG1 2.95Å; T163-K165 PolarHBondContact O-N 3.45Å; T163-S166 WeakPolarHBondContact CA-OG 3.33Å; T163-S166 PolarHBondContact O-N 2.9Å; T163-S166 PolarHBondContact O-OG 3.48Å; T163-S166 VanDerWaalsContact O-OG 3.04Å; T163-E167 VanDerWaalsContact O-CB 3.25Å; T163-E167 WeakPolarHBondContact O-CB 3.42Å; T163-E167 PolarHBondContact O-N 3.23Å
164T85.9Confident86.4Confident24 Ų2486.5 Ų86.515%0.14743%0.434CS..Hα-helixtrans-62.6-45.1177.4-520000112.1A154 L157 D160 E167 L168A154-T164 HydrophobicContact CB-CG2 4.29Å; L157-T164 HydrophobicContact CD2-CG2 4.38Å; D160-T164 WeakPolarHBondContact O-CB 3.35Å; D160-T164 PolarHBondContact O-N 3.04Å; D160-T164 PolarHBondContact O-OG1 3.16Å; T164-E167 PolarHBondContact O-N 3.43Å; T164-L168 HydrophobicContact CG2-CD1 4.2Å; T164-L168 WeakPolarHBondContact O-CB 3.38Å; T164-L168 VanDerWaalsContact O-CG 3.32Å; T164-L168 WeakPolarHBondContact O-CG 3.43Å; T164-L168 PolarHBondContact O-N 3.47Å
165K89.1Confident86.1Confident70 Ų7092 Ų9230%0.30446%0.46SS..Hα-helixtrans-62.6-46.3176.4-179.9176.8179.11680112.3S151 A154 K161 T163 L169S151-K165 PolarHBondContact OG-NZ 3.29Å; A154-K165 HydrophobicContact CB-CB 3.82Å; K161-K165 VanDerWaalsContact O-CB 3.24Å; K161-K165 WeakPolarHBondContact O-CB 3.49Å; K161-K165 PolarHBondContact O-N 3.22Å; T163-K165 PolarHBondContact O-N 3.45Å; K165-L169 HydrophobicContact CG-CD1 4.16Å; K165-L169 VanDerWaalsContact O-CG 3.29Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.46Å
166S87.6Confident85.8Confident71 Ų7191.3 Ų91.350%0.49745%0.453SS..Hα-helixtrans-69.4-33.6-178.456.60000112.5Q162 T163 R170Q162-S166 WeakPolarHBondContact O-CB 3.36Å; Q162-S166 PolarHBondContact O-N 3.46Å; Q162-S166 PolarHBondContact O-OG 3.09Å; T163-S166 WeakPolarHBondContact CA-OG 3.33Å; T163-S166 PolarHBondContact O-N 2.9Å; T163-S166 PolarHBondContact O-OG 3.48Å; T163-S166 VanDerWaalsContact O-OG 3.04Å; S166-R170 WeakPolarHBondContact O-CB 3.48Å; S166-R170 PolarHBondContact O-N 2.93Å
167E90.6Very high85.6Confident92 Ų9293.2 Ų93.243%0.4345%0.453SS..Hα-helixtrans-69.6-42.7175.6-173.2137.3-13500112.1T163 T164 R170 Q171T163-E167 VanDerWaalsContact O-CB 3.25Å; T163-E167 WeakPolarHBondContact O-CB 3.42Å; T163-E167 PolarHBondContact O-N 3.23Å; T164-E167 PolarHBondContact O-N 3.43Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 IonicContact OE1-CZ 2.85Å; E167-R170 IonicContact OE1-NH2 2.67Å; E167-R170 PolarHBondContact OE1-NH2 3.48Å; E167-Q171 WeakPolarHBondContact O-CG 3.43Å; E167-Q171 PolarHBondContact O-N 3.19Å
168L88.8Confident85.4Confident52 Ų5295.5 Ų95.527%0.27246%0.461SS..Hα-helixtrans-62.1-43.5174.4-75.2171.3000112.2A150 V153 T164 R170 Q171 L172A150-L168 HydrophobicContact CB-CB 4.43Å; V153-L168 HydrophobicContact CB-CD1 4.4Å; V153-L168 HydrophobicContact CG1-CD1 3.98Å; T164-L168 HydrophobicContact CG2-CD1 4.2Å; T164-L168 WeakPolarHBondContact O-CB 3.38Å; T164-L168 VanDerWaalsContact O-CG 3.32Å; T164-L168 WeakPolarHBondContact O-CG 3.43Å; T164-L168 PolarHBondContact O-N 3.47Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.28Å; L168-Q171 PolarHBondContact O-N 3.26Å; L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.26Å; L168-L172 PolarHBondContact O-N 3.47Å
169L89.8Confident85.4Confident32 Ų3292 Ų9217%0.16844%0.438CS..Hα-helixtrans-65.1-37.9176.8-70.8174.9000112L142 V147 A150 K165 L172 Q173L142-L169 HydrophobicContact CD1-CD2 4.04Å; V147-L169 HydrophobicContact CB-CD2 4.48Å; V147-L169 HydrophobicContact CG1-CD1 4.49Å; V147-L169 HydrophobicContact CG2-CD2 4.07Å; A150-L169 HydrophobicContact CB-CD2 3.92Å; A150-L169 HydrophobicContact CB-CG 4.25Å; K165-L169 HydrophobicContact CG-CD1 4.16Å; K165-L169 VanDerWaalsContact O-CG 3.29Å; K165-L169 WeakPolarHBondContact O-CG 3.44Å; K165-L169 PolarHBondContact O-N 3.46Å; L169-L172 PolarHBondContact O-N 3.3Å; L169-Q173 WeakPolarHBondContact O-CB 3.36Å; L169-Q173 PolarHBondContact O-N 3.46Å
170R88.8Confident85.3Confident128 Ų12888 Ų8848%0.48342%0.422SS..Hα-helixtrans-63.7-42.8175.8-170.6-174.572.4-157.3-6.6111.6S166 E167 L168 Q173 Q174S166-R170 WeakPolarHBondContact O-CB 3.48Å; S166-R170 PolarHBondContact O-N 2.93Å; E167-R170 PolarHBondContact O-N 3.47Å; E167-R170 IonicContact OE1-CZ 2.85Å; E167-R170 IonicContact OE1-NH2 2.67Å; E167-R170 PolarHBondContact OE1-NH2 3.48Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.28Å; R170-Q173 PolarHBondContact O-N 3.1Å; R170-Q174 WeakPolarHBondContact O-CG 3.47Å; R170-Q174 PolarHBondContact O-N 3.18Å; R170-Q174 VanDerWaalsContact O-N 3.13Å
171Q88.8Confident84.8Confident104 Ų10487.8 Ų87.849%0.48643%0.425SS..Hα-helixtrans-68-41.9178-73.4-178.3-10.200112.2E167 L168 Q173 Q174 H175E167-Q171 WeakPolarHBondContact O-CG 3.43Å; E167-Q171 PolarHBondContact O-N 3.19Å; L168-Q171 PolarHBondContact O-N 3.26Å; Q171-Q173 VanDerWaalsContact C-N 3.29Å; Q171-Q173 PolarHBondContact O-N 3.11Å; Q171-Q174 PolarHBondContact O-N 2.95Å; Q171-H175 PolarHBondContact O-N 3.5Å
172L87.1Confident84Confident71 Ų7188.9 Ų88.937%0.37243%0.431SS..Hα-helixtrans-60.9-40.2175-79.3171.3000111.9L168 L169 H175 E176L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 WeakPolarHBondContact O-CG 3.26Å; L168-L172 PolarHBondContact O-N 3.47Å; L169-L172 PolarHBondContact O-N 3.3Å; L172-H175 PolarHBondContact O-N 2.91Å; L172-E176 WeakPolarHBondContact O-CB 3.29Å; L172-E176 PolarHBondContact O-N 3.32Å
173Q86.4Confident83.3Confident72 Ų7287.5 Ų87.534%0.33642%0.423SS..Hα-helixtrans-65.1-40.7177.3-170.41728.400112.3L169 R170 Q171 E176 E177L169-Q173 WeakPolarHBondContact O-CB 3.36Å; L169-Q173 PolarHBondContact O-N 3.46Å; R170-Q173 PolarHBondContact O-N 3.1Å; Q171-Q173 VanDerWaalsContact C-N 3.29Å; Q171-Q173 PolarHBondContact O-N 3.11Å; Q173-E176 PolarHBondContact O-N 3.4Å; Q173-E177 PolarHBondContact O-N 3.08Å; Q173-E177 VanDerWaalsContact O-N 3.11Å
174Q86.1Confident82.4Confident99 Ų9988.5 Ų88.546%0.46343%0.426SS..Hα-helixtrans-62.3-45176-73.9174.3-17.400111.6R170 Q171 E177 E178R170-Q174 WeakPolarHBondContact O-CG 3.47Å; R170-Q174 PolarHBondContact O-N 3.18Å; R170-Q174 VanDerWaalsContact O-N 3.13Å; Q171-Q174 PolarHBondContact O-N 2.95Å; Q174-E177 PolarHBondContact O-N 3.43Å; Q174-E178 WeakPolarHBondContact O-CG 3.47Å; Q174-E178 PolarHBondContact O-N 3.23Å
175H82.6Confident81.3Confident119 Ų11996.6 Ų96.655%0.55145%0.454SS*.Hα-helixtrans-68-37.7-179.7-169.8-89.6000112.7Q171 L172 E177 E178 T179Q171-H175 PolarHBondContact O-N 3.5Å; L172-H175 PolarHBondContact O-N 2.91Å; H175-E177 VanDerWaalsContact C-N 3.33Å; H175-E177 PolarHBondContact O-N 2.87Å; H175-E178 PolarHBondContact O-N 2.75Å; H175-T179 WeakPolarHBondContact O-CB 3.36Å; H175-T179 VanDerWaalsContact O-CG2 3.24Å; H175-T179 WeakPolarHBondContact O-CG2 3.25Å; H175-T179 PolarHBondContact O-N 3.31Å; H175-T179 PolarHBondContact O-OG1 3.19Å
176E83.3Confident79.8Confident74 Ų7499 Ų9935%0.34647%0.466SS..Hα-helixtrans-64.3-37.6174.5-17766.2-161.600111.7L172 Q173 T179 R180L172-E176 WeakPolarHBondContact O-CB 3.29Å; L172-E176 PolarHBondContact O-N 3.32Å; Q173-E176 PolarHBondContact O-N 3.4Å; E176-T179 WeakPolarHBondContact CA-OG1 3.36Å; E176-T179 PolarHBondContact O-OG1 3.38Å; E176-R180 WeakPolarHBondContact O-CB 3.45Å; E176-R180 VanDerWaalsContact O-CG 3.23Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 VanDerWaalsContact O-N 3.11Å; E176-R180 IonicContact OE1-CZ 3.73Å; E176-R180 IonicContact OE1-NE 2.99Å; E176-R180 PolarHBondContact OE1-NE 3.24Å; E176-R180 IonicContact OE1-NH2 3.41Å; E176-R180 PolarHBondContact OE1-NH2 3.14Å
177E82.8Confident78.5Confident130 Ų130101.6 Ų101.661%0.60747%0.468SS*.Hα-helixtrans-70.3-41.6176.3-166.8169.3-17200112.1Q173 Q174 H175 R180 T181Q173-E177 PolarHBondContact O-N 3.08Å; Q173-E177 VanDerWaalsContact O-N 3.11Å; Q174-E177 PolarHBondContact O-N 3.43Å; H175-E177 VanDerWaalsContact C-N 3.33Å; H175-E177 PolarHBondContact O-N 2.87Å; E177-R180 PolarHBondContact O-N 3.09Å; E177-T181 WeakPolarHBondContact O-CG2 3.43Å; E177-T181 PolarHBondContact O-N 2.9Å; E177-T181 PolarHBondContact O-OG1 3.31Å
178E80.9Confident77Confident123 Ų123101.4 Ų101.458%0.57548%0.477SS*.Hα-helixtrans-64.4-42.8176.2-73.3174.8-174.400112.2Q174 H175 T181 Q182Q174-E178 WeakPolarHBondContact O-CG 3.47Å; Q174-E178 PolarHBondContact O-N 3.23Å; H175-E178 PolarHBondContact O-N 2.75Å; E178-T181 WeakPolarHBondContact CA-OG1 3.13Å; E178-T181 PolarHBondContact O-N 2.88Å; E178-T181 PolarHBondContact O-OG1 2.96Å; E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 PolarHBondContact O-N 2.98Å
179T78.1Confident75.6Confident52 Ų52107.4 Ų107.432%0.31950%0.501SS..Hα-helixtrans-66.8-37.2176.752.40000112.6H175 E176 Q182 K183H175-T179 WeakPolarHBondContact O-CB 3.36Å; H175-T179 VanDerWaalsContact O-CG2 3.24Å; H175-T179 WeakPolarHBondContact O-CG2 3.25Å; H175-T179 PolarHBondContact O-N 3.31Å; H175-T179 PolarHBondContact O-OG1 3.19Å; E176-T179 WeakPolarHBondContact CA-OG1 3.36Å; E176-T179 PolarHBondContact O-OG1 3.38Å; T179-Q182 PolarHBondContact O-N 3.37Å; T179-K183 WeakPolarHBondContact O-CB 3.37Å; T179-K183 PolarHBondContact O-N 3.03Å
180R75.1Confident74.2Confident116 Ų116110.9 Ų110.944%0.43852%0.519SS..Hα-helixtrans-64.5-46.8173.5-75.4175.6-175-157.43.9112E176 E177 Q182 K183 D184E176-R180 WeakPolarHBondContact O-CB 3.45Å; E176-R180 VanDerWaalsContact O-CG 3.23Å; E176-R180 WeakPolarHBondContact O-CG 3.4Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 VanDerWaalsContact O-N 3.11Å; E176-R180 IonicContact OE1-CZ 3.73Å; E176-R180 IonicContact OE1-NE 2.99Å; E176-R180 PolarHBondContact OE1-NE 3.24Å; E176-R180 IonicContact OE1-NH2 3.41Å; E176-R180 PolarHBondContact OE1-NH2 3.14Å; E177-R180 PolarHBondContact O-N 3.09Å; R180-Q182 VanDerWaalsContact C-N 3.3Å; R180-Q182 PolarHBondContact O-N 2.9Å; R180-K183 PolarHBondContact O-N 3.4Å; R180-D184 PolarHBondContact O-N 3.2Å
181T73.6Confident72.8Confident84 Ų84107.9 Ų107.952%0.51552%0.517SS..Hα-helixtrans-64.6-34.2178.556.70000112.4E177 E178 R185E177-T181 WeakPolarHBondContact O-CG2 3.43Å; E177-T181 PolarHBondContact O-N 2.9Å; E177-T181 PolarHBondContact O-OG1 3.31Å; E178-T181 WeakPolarHBondContact CA-OG1 3.13Å; E178-T181 PolarHBondContact O-N 2.88Å; E178-T181 PolarHBondContact O-OG1 2.96Å; T181-R185 WeakPolarHBondContact O-CB 3.41Å; T181-R185 PolarHBondContact O-N 3.06Å
182Q71.7Confident71.5Confident130 Ų130110.2 Ų110.261%0.60753%0.526SS*.Hα-helixtrans-66.1-47.7171.8-178.4172.9-17.500112.1E178 T179 R180 D184 R185 E186E178-Q182 WeakPolarHBondContact O-CB 3.36Å; E178-Q182 PolarHBondContact O-N 2.98Å; T179-Q182 PolarHBondContact O-N 3.37Å; R180-Q182 VanDerWaalsContact C-N 3.3Å; R180-Q182 PolarHBondContact O-N 2.9Å; Q182-D184 VanDerWaalsContact C-N 3.28Å; Q182-D184 PolarHBondContact O-N 3.25Å; Q182-R185 WeakPolarHBondContact O-CB 3.46Å; Q182-R185 PolarHBondContact O-N 3.07Å; Q182-E186 PolarHBondContact O-N 3.07Å
183K68.8Low70.3Confident128 Ų128116.9 Ų116.956%0.55755%0.546SS*.Hα-helixtrans-61.7-35.9178.8-166.7177.3-176172.50112.1T179 R180 E186 K187T179-K183 WeakPolarHBondContact O-CB 3.37Å; T179-K183 PolarHBondContact O-N 3.03Å; R180-K183 PolarHBondContact O-N 3.4Å; K183-E186 PolarHBondContact O-N 3.12Å; K183-K187 VanDerWaalsContact O-CG 3.28Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 3.45Å
184D65.4Low69.2Low88 Ų88119.9 Ų119.947%0.47156%0.56SS.*Hα-helixtrans-77.2-30.8177.3-70.2-18.5000112.9R180 Q182 E186 K187 S188R180-D184 PolarHBondContact O-N 3.2Å; Q182-D184 VanDerWaalsContact C-N 3.28Å; Q182-D184 PolarHBondContact O-N 3.25Å; D184-E186 VanDerWaalsContact C-N 3.3Å; D184-K187 IonicContact OD1-NZ 2.92Å; D184-K187 PolarHBondContact OD1-NZ 3.42Å; D184-S188 WeakPolarHBondContact O-CB 3.49Å; D184-S188 PolarHBondContact O-N 2.67Å; D184-S188 VanDerWaalsContact O-N 3.08Å; D184-S188 PolarHBondContact O-OG 3.14Å
185R62Low68.2Low193 Ų193119.8 Ų119.873%0.72856%0.562SS**Hα-helixtrans-64.2-33.3166.4-100.7-177.8172175.1-0113T181 Q182 S188 K189T181-R185 WeakPolarHBondContact O-CB 3.41Å; T181-R185 PolarHBondContact O-N 3.06Å; Q182-R185 WeakPolarHBondContact O-CB 3.46Å; Q182-R185 PolarHBondContact O-N 3.07Å; R185-S188 WeakPolarHBondContact CA-OG 3.01Å; R185-S188 PolarHBondContact O-OG 3.05Å; R185-S188 VanDerWaalsContact O-OG 3.11Å; R185-K189 WeakPolarHBondContact O-CG 3.39Å; R185-K189 PolarHBondContact O-N 3.44Å
186E58.1Low67.3Low120 Ų120119.8 Ų119.856%0.56156%0.564SS**Hα-helixtrans-76.7-43.5179.3-161.2168.2-154.100111.6Q182 K183 D184 S188 K189Q182-E186 PolarHBondContact O-N 3.07Å; K183-E186 PolarHBondContact O-N 3.12Å; D184-E186 VanDerWaalsContact C-N 3.3Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.26Å; E186-K189 PolarHBondContact O-N 3.32Å; E186-K189 VanDerWaalsContact O-N 3.17Å
187K59.8Low66.3Low126 Ų126120.6 Ų120.655%0.54858%0.578SS.*Hα-helixtrans-60-35.9171.8-70169.9-168.5156.60113.1K183 D184 K189K183-K187 VanDerWaalsContact O-CG 3.28Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 3.45Å; D184-K187 IonicContact OD1-NZ 2.92Å; D184-K187 PolarHBondContact OD1-NZ 3.42Å; K187-K189 VanDerWaalsContact C-N 3.34Å
188S60Low65.2Low88 Ų88121.6 Ų121.662%0.61558%0.583SS**Hα-helixtrans-77.6-16.5178.451.10000114D184 R185 E186D184-S188 WeakPolarHBondContact O-CB 3.49Å; D184-S188 PolarHBondContact O-N 2.67Å; D184-S188 VanDerWaalsContact O-N 3.08Å; D184-S188 PolarHBondContact O-OG 3.14Å; R185-S188 WeakPolarHBondContact CA-OG 3.01Å; R185-S188 PolarHBondContact O-OG 3.05Å; R185-S188 VanDerWaalsContact O-OG 3.11Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.26Å
189K57.8Low64.1Low179 Ų179122.1 Ų122.178%0.77859%0.587SS**Hα-helixtrans-80.8-20.5175.1-86.8178.9175.9-1770114.2R185 E186 K187R185-K189 WeakPolarHBondContact O-CG 3.39Å; R185-K189 PolarHBondContact O-N 3.44Å; E186-K189 PolarHBondContact O-N 3.32Å; E186-K189 VanDerWaalsContact O-N 3.17Å; K187-K189 VanDerWaalsContact C-N 3.34Å
190I61.8Low63.3Low105 Ų105129.4 Ų129.454%0.53861%0.614SS.*  trans-113.967.7-177.2-46171.9000109.6
191S58.8Low62.3Low64 Ų64131 Ų13145%0.44863%0.63SS.*  trans-94.3113.1165.9-167.80000109R193 H194S191-R193 PolarHBondContact O-N 3.2Å; S191-H194 PolarHBondContact O-N 3.3Å
192F61Low60.7Low153 Ų153131.7 Ų131.767%0.67164%0.644SS**Hα-helixtrans-51.9-23.7176.7-72.3-85000113.5H194 I195 I196F192-H194 VanDerWaalsContact C-N 3.34Å; F192-H194 PolarHBondContact O-N 3.44Å; F192-I195 PolarHBondContact O-N 3.16Å; F192-I196 WeakPolarHBondContact O-CG1 3.22Å; F192-I196 PolarHBondContact O-N 3.35Å; F192-I196 VanDerWaalsContact O-N 3.15Å
193R63.3Low59.7Low211 Ų211136.8 Ų136.880%0.79666%0.658SS**Hα-helixtrans-64.7-33.6174.3-126.9178.6-176.4170.31.1113S191 S197S191-R193 PolarHBondContact O-N 3.2Å; R193-S197 WeakPolarHBondContact O-CB 3.42Å; R193-S197 PolarHBondContact O-N 3.37Å; R193-S197 PolarHBondContact O-OG 3.28Å
194H62Low58.6Low135 Ų135136 Ų13663%0.62567%0.668SS**Hα-helixtrans-77.3-34.4178.1-137.272.8000111.5S191 F192 S197 E198S191-H194 PolarHBondContact O-N 3.3Å; F192-H194 VanDerWaalsContact C-N 3.34Å; F192-H194 PolarHBondContact O-N 3.44Å; H194-S197 PolarHBondContact O-N 3.05Å; H194-E198 PolarHBondContact O-N 2.75Å
195I65.6Low57.6Low98 Ų98137.7 Ų137.750%0.50368%0.684SS.*Hα-helixtrans-67.5-40.9177.4-60173.3000111.2F192F192-I195 PolarHBondContact O-N 3.16Å
196I62.6Low56.6Low118 Ų118134.1 Ų134.161%0.60569%0.689SS**Hα-helixtrans-78-26.4-179.7-60.1169.8000111.9F192 M199F192-I196 WeakPolarHBondContact O-CG1 3.22Å; F192-I196 PolarHBondContact O-N 3.35Å; F192-I196 VanDerWaalsContact O-N 3.15Å; I196-M199 PolarHBondContact O-N 3.22Å
197S63.7Low55.7Low91 Ų91132.1 Ų132.164%0.63669%0.693SS**Hα-helixtrans-73.2-26.5179.1-600000113.4R193 H194R193-S197 WeakPolarHBondContact O-CB 3.42Å; R193-S197 PolarHBondContact O-N 3.37Å; R193-S197 PolarHBondContact O-OG 3.28Å; H194-S197 PolarHBondContact O-N 3.05Å
198E59.6Low54.8Low151 Ų151137.2 Ų137.271%0.70671%0.708SS**THydrogen-bonded Turntrans-83.2-10176.6-67.8-69.9153.600112.9H194 K200H194-E198 PolarHBondContact O-N 2.75Å; E198-K200 PolarHBondContact O-N 3.29Å
199M56.6Low54.3Low135 Ų135140.2 Ų140.267%0.66572%0.722SS**  trans-78.779.8174.2-99.6173.463.100111.3I196 I201I196-M199 PolarHBondContact O-N 3.22Å; M199-I201 PolarHBondContact O-N 3.44Å
200K61.3Low53.4Low204 Ų204137.2 Ų137.289%0.88772%0.724SS**  trans-74.9104.3167.8-104.4178.2166.1176.90110.7E198 A202E198-K200 PolarHBondContact O-N 3.29Å; K200-A202 PolarHBondContact O-N 3.37Å
201I54.7Low52.8Low151 Ų151138.5 Ų138.577%0.77474%0.737SS**  trans-7999.9169.7-58.9169.2000108.1M199 R203M199-I201 PolarHBondContact O-N 3.44Å; I201-R203 PolarHBondContact O-N 2.85Å; I201-R203 VanDerWaalsContact O-N 3.17Å
202A41Very low52.1Low98 Ų98146.6 Ų146.681%0.8176%0.758SS**  trans-71.7105.1171.800000109.6K200 S204K200-A202 PolarHBondContact O-N 3.37Å; A202-S204 PolarHBondContact O-N 3.06Å
203R50.3Low51.4Low237 Ų237144.8 Ų144.889%0.89476%0.762SS**  trans-81.4105.3167.2-165175.3-170.8-178.32.5107.4I201 P205I201-R203 PolarHBondContact O-N 2.85Å; I201-R203 VanDerWaalsContact O-N 3.17Å; R203-P205 WeakPolarHBondContact O-CD 3.13Å
204S44.8Very low50.8Low111 Ų111142.7 Ų142.778%0.77676%0.761SS**PPolyproline II helixtrans-75.2127.9-180480000111.2A202A202-S204 PolarHBondContact O-N 3.06Å
205P44.4Very low50.4Low124 Ų124144.8 Ų144.881%0.80577%0.771SS**PPolyproline II helixtrans-82.9145.9164.732.6-29.3000110.4R203R203-P205 WeakPolarHBondContact O-CD 3.13Å
206S41.7Very low49.8Very low118 Ų118148.9 Ų148.983%0.82579%0.788SS**PPolyproline II helixtrans-56.8151.2174.7177.60000113.4
207A39.6Very low49.5Very low77 Ų77149.9 Ų149.964%0.63679%0.793SS**  trans81.996.1156.700000118.5
208R40.2Very low48.7Very low234 Ų234153.7 Ų153.788%0.88380%0.801SS**  159.4131.9100.7-82.2-179.6-166.1178.14.7111.3
209V50.4Low47.7Very low150 Ų150155.6 Ų155.691%0.90981%0.807SS**  trans27.8104146.9-169.30000117
210S39Very low47.2Very low116 Ų116156.5 Ų156.581%0.81181%0.814SS**  trans-147.8142.5157.1-174.20000110.5
211T48.9Very low46.6Very low133 Ų133155.6 Ų155.682%0.81681%0.813SS**PPolyproline II helixtrans-57.9132.4-165.7-40.70000113.2P213T211-P213 WeakPolarHBondContact O-CD 3.43Å
212R44.1Very low46Very low233 Ų233157 Ų15788%0.87982%0.816SS**PPolyproline II helixtrans-57.9119.4-176.4-166.9-179.1-168.3-176.83.7112.3Q214R212-Q214 PolarHBondContact O-N 3.13Å
213P45.6Very low46Very low116 Ų116161.1 Ų161.175%0.75382%0.821SS**PPolyproline II helixtrans-74.2118.4160.5-9.626.9000108.1T211T211-P213 WeakPolarHBondContact O-CD 3.43Å
214Q50.7Low45.4Very low167 Ų167156.6 Ų156.678%0.7882%0.815SS**SBendtrans-59.7139.2169.6-150.2157.8-22.300107R212R212-Q214 PolarHBondContact O-N 3.13Å
215H54.7Low45.2Very low179 Ų179158.9 Ų158.983%0.82982%0.818SS**  trans94.762.5176.2-45.552.7000115.2
216Q51.8Low44.9Very low184 Ų184158.4 Ų158.486%0.8682%0.818SS**  trans-104126.9156.1-167.4172.513.600108Q218Q216-Q218 PolarHBondContact O-N 3.44Å
217I55.8Low45Very low139 Ų139158 Ų15871%0.71382%0.815SS**  trans-68.1112.8175.3-62.7166.2000107.1F219I217-F219 HydrophobicContact CG2-CD2 4.24Å; I217-F219 HydrophobicContact CG2-CE2 4.03Å
218Q47.6Very low44.9Very low171 Ų171162.2 Ų162.280%0.79983%0.826SS**  trans-81.2122.9164.1-81.3176.3-43.200107.5Q216Q216-Q218 PolarHBondContact O-N 3.44Å
219F39.1Very low45.2Very low190 Ų190158.6 Ų158.683%0.83382%0.819SS**  trans-83.2111.4162.7-77.1-91.2000106.5I217 E221I217-F219 HydrophobicContact CG2-CD2 4.24Å; I217-F219 HydrophobicContact CG2-CE2 4.03Å; F219-E221 PolarHBondContact O-N 3.34Å
220D45.6Very low44.9Very low154 Ų154158.4 Ų158.482%0.82481%0.812SS**  trans-77.492.9167.4-81.9-15.8000107.8
221E49.5Very low45.2Very low186 Ų186161.1 Ų161.187%0.86981%0.812SS**  trans-92.892.9146.3-84.2-162.4162.100106.9F219F219-E221 PolarHBondContact O-N 3.34Å
222E40.2Very low44.9Very low179 Ų179163 Ų16384%0.83681%0.809SS**  trans-179.7132.9131.4-103.9173.8159.600109.3
223M41.6Very low44.7Very low186 Ų186157.8 Ų157.892%0.91681%0.805SS**  trans-99.5106.7178.5176.8154.461.600107.5
224D37.2Very low45Very low142 Ų142157.5 Ų157.576%0.75981%0.806SS**  trans-135.9127.4164.554.1-15.1000112.2S226D224-S226 PolarHBondContact O-N 2.91Å
225N41.4Very low44.9Very low158 Ų158156.7 Ų156.785%0.84581%0.807SS**  trans-66.4123.3179-66.3-44000110.4
226S38Very low44.8Very low115 Ų115157.9 Ų157.980%0.80481%0.81SS**  trans-174.1136.7131.838.40000112D224D224-S226 PolarHBondContact O-N 2.91Å
227S43.3Very low45.3Very low108 Ų108158.5 Ų158.576%0.75581%0.81SS**  trans-37.9139.7171.152.80000114.6
228L38.4Very low45.6Very low166 Ų166160.1 Ų160.187%0.86981%0.814SS**  -166.5129.5122.3-97.6167000110.5L230L228-L230 PolarHBondContact O-N 3.38Å
229H46.8Very low46.4Very low159 Ų159163.6 Ų163.674%0.73682%0.82SS**  trans-40.8113.5172.6-178-33.5000113
230L42.5Very low48Very low145 Ų145163.5 Ų163.576%0.75982%0.819SS**  trans-147.4106156.8-15966.8000109.8L228 K232L228-L230 PolarHBondContact O-N 3.38Å; L230-K232 PolarHBondContact O-N 2.86Å
231E45.5Very low49.6Very low173 Ų173157.9 Ų157.981%0.80880%0.798SS**  trans-59.3120.4169.1-64.4-155.915200109.4
232K43Very low51.3Low173 Ų173157.4 Ų157.475%0.75280%0.8SS**  trans-110.6137.8163.2-82.1176.9178.5170.70107.9L230 S234L230-K232 PolarHBondContact O-N 2.86Å; K232-S234 PolarHBondContact O-N 3.19Å
233P40.9Very low53.4Low124 Ų124158.6 Ų158.681%0.80580%0.803SS**  trans-62.1125.3-17826.2-32.2000109.5D235P233-D235 PolarHBondContact O-N 3.5Å
234S50.4Low55.5Low110 Ų110157.8 Ų157.877%0.76980%0.795SS**  trans-67.791.9179.651.50000111.1K232K232-S234 PolarHBondContact O-N 3.19Å
235D50.4Low57.7Low150 Ų150154.2 Ų154.280%0.80279%0.791SS**  trans-14026.7166.7-88.6-36.8000113.4P233 K237P233-D235 PolarHBondContact O-N 3.5Å; D235-K237 PolarHBondContact O-N 3.03Å; D235-K237 VanDerWaalsContact O-N 3.12Å
236F52.2Low60Low203 Ų203157.3 Ų157.389%0.8980%0.797SS**  trans-73.9100.8152.3-70-75.6000106.9Q238F236-Q238 PolarHBondContact O-N 3.39Å
237K60.9Low62.3Low197 Ų197159.8 Ų159.886%0.85779%0.789SS**  trans-50.390.5164.6-73.2177.6179.9176.10107.9D235 R239D235-K237 PolarHBondContact O-N 3.03Å; D235-K237 VanDerWaalsContact O-N 3.12Å; K237-R239 PolarHBondContact O-N 3.16Å
238Q62.2Low64.4Low173 Ų173161.4 Ų161.481%0.80879%0.789SS**  trans-54.7113.1168.9-74.2-174.2-1.800104.8F236 K240F236-Q238 PolarHBondContact O-N 3.39Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.44Å
239R64.4Low66.7Low245 Ų245156.6 Ų156.693%0.92578%0.779SS**  trans-56.3103.6176.3-69.6178-178.1165.8-0.4105.8K237 G241K237-R239 PolarHBondContact O-N 3.16Å; R239-G241 PolarHBondContact O-N 3.17Å; R239-G241 VanDerWaalsContact O-N 3.07Å
240K73.4Confident68.9Low187 Ų187155 Ų15581%0.81378%0.775SS**  trans-61.5115.7-179.9-64.8179.4-178.9179.30106.1Q238Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.44Å
241G80Confident70.9Confident37 Ų37156 Ų15638%0.38177%0.773SS.*  trans-61.9150177.400000110.8R239 F243 K244R239-G241 PolarHBondContact O-N 3.17Å; R239-G241 VanDerWaalsContact O-N 3.07Å; G241-F243 PolarHBondContact O-N 2.99Å; G241-K244 PolarHBondContact O-N 3.46Å
242L85.3Confident72.9Confident175 Ų175153.5 Ų153.592%0.91677%0.765SS**THydrogen-bonded Turntrans-54.2-30-173.8-63.1173.5000113.8
243F84.3Confident74.7Confident205 Ų205152.1 Ų152.190%0.89977%0.765SS**THydrogen-bonded Turntrans-91.7-0.5-179.5-58.9-79.2000114.3G241G241-F243 PolarHBondContact O-N 2.99Å
244K84.7Confident76.3Confident168 Ų168153.6 Ų153.673%0.7376%0.758SS**SBendtrans-98.698.7178.5-66.7-174.4178.5-176.70109.7G241G241-K244 PolarHBondContact O-N 3.46Å
245G84.5Confident77Confident67 Ų67152.9 Ų152.969%0.69176%0.759SS**SBendtrans179.6-179.217900000113.6R247G245-R247 PolarHBondContact O-N 2.9Å
246K88.6Confident77.4Confident224 Ų224154.5 Ų154.597%0.97476%0.759SS**  trans-65.3123.2170.5-63.6-178.5-179.1-177.40108
247R87.1Confident77.8Confident166 Ų166149.3 Ų149.363%0.62675%0.754SS**  trans-104.6164.2175.968-177.9-177.81089.4110.6G245 G249 I253G245-R247 PolarHBondContact O-N 2.9Å; R247-G249 PolarHBondContact O-N 3.39Å; R247-I253 VanDerWaalsContact NH2-CD1 3.25Å; R247-I253 VanDerWaalsContact NH2-CG1 3.35Å
248L87.8Confident77.8Confident143 Ų143147.5 Ų147.575%0.74975%0.754SS**  trans-66117.3170-61176.6000108.8I250L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 HydrophobicContact CB-CD1 4.2Å; L248-I250 HydrophobicContact CB-CG1 4.39Å; L248-I250 HydrophobicContact CD1-CD1 4.47Å; L248-I250 PolarHBondContact O-N 3.48Å
249G86.1Confident77.9Confident65 Ų65147.9 Ų147.967%0.6776%0.756SS**  trans-89.935-179.300000113.5R247R247-G249 PolarHBondContact O-N 3.39Å
250I92.1Very high77.9Confident125 Ų125140.3 Ų140.364%0.64175%0.745SS**SBendtrans-79.4-35.6-176.6-57.9166.1000110.7L248L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 HydrophobicContact CB-CD1 4.2Å; L248-I250 HydrophobicContact CB-CG1 4.39Å; L248-I250 HydrophobicContact CD1-CD1 4.47Å; L248-I250 PolarHBondContact O-N 3.48Å
251F85.9Confident77.7Confident165 Ų165136.5 Ų136.572%0.72474%0.74SS**SBendtrans-107.5120.3179.6-61-81.5000110.3
252D86Confident76.9Confident121 Ų121143.2 Ų143.265%0.64776%0.761SS**  trans-66.3143.1170.3-72.6-25.6000109.9K254D252-K254 HydrophobicContact CB-CG 4.23Å; D252-K254 PolarHBondContact O-N 3.26Å
253I81.6Confident75.8Confident144 Ų144141 Ų14174%0.73876%0.755SS**  trans-77.540.9175.2-43.8158.3000109.4R247 A255R247-I253 VanDerWaalsContact NH2-CD1 3.25Å; R247-I253 VanDerWaalsContact NH2-CG1 3.35Å; I253-A255 PolarHBondContact O-N 2.85Å
254K74.6Confident74.6Confident155 Ų155139.8 Ų139.867%0.67475%0.752SS**  trans-62.4118.6169.9-79.4-179.2-179.8175.80105.8D252 F256D252-K254 HydrophobicContact CB-CG 4.23Å; D252-K254 PolarHBondContact O-N 3.26Å; K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.46Å
255A64.5Low74.2Confident95 Ų95135.2 Ų135.279%0.78575%0.746SS**  trans-55.6107.1166.600000105.4I253 A257I253-A255 PolarHBondContact O-N 2.85Å; A255-A257 VanDerWaalsContact C-N 3.26Å; A255-A257 PolarHBondContact O-N 3.29Å
256F58.9Low74.1Confident184 Ų184137.1 Ų137.181%0.80775%0.748SS**  trans-55.4104.1164.5-69.1-88000104.5K254 D258K254-F256 VanDerWaalsContact C-N 3.33Å; K254-F256 PolarHBondContact O-N 3.46Å; F256-D258 PolarHBondContact O-N 2.86Å
257A61.5Low74Confident95 Ų95130.2 Ų130.279%0.78573%0.727SS**  trans-66113.9161.200000103.4A255 E259A255-A257 VanDerWaalsContact C-N 3.26Å; A255-A257 PolarHBondContact O-N 3.29Å; A257-E259 PolarHBondContact O-N 2.96Å
258D61.1Low74.2Confident158 Ų158124.5 Ų124.585%0.84571%0.712SS**  trans-58.288.1175.3-70.2-42.1000108.1F256 A260F256-D258 PolarHBondContact O-N 2.86Å; D258-A260 PolarHBondContact O-N 3.29Å
259E64.4Low74.5Confident182 Ų182123.7 Ų123.785%0.8571%0.708SS**  trans-65.6115.5155.6-171.1163.5-163.600104.7A257 P261A257-E259 PolarHBondContact O-N 2.96Å; E259-P261 VanDerWaalsContact O-N 3.09Å
260A63.8Low74.9Confident85 Ų85131.1 Ų131.170%0.70272%0.716SS**  trans-52.1120.8-174.200000108.4D258 E262D258-A260 PolarHBondContact O-N 3.29Å; A260-E262 PolarHBondContact O-N 2.87Å
261P69.9Low75Confident108 Ų108130.4 Ų130.470%0.70171%0.71SS**  trans-59.5141.1-179.424.5-32.8000108.9E259 T263E259-P261 VanDerWaalsContact O-N 3.09Å; P261-T263 PolarHBondContact O-N 3.38Å
262E63.2Low75.4Confident177 Ų177127 Ų12783%0.82770%0.698SS**  trans-54.199-179.3-63.6-178.317400110.5A260 E264A260-E262 PolarHBondContact O-N 2.87Å; E262-E264 PolarHBondContact O-N 3.29Å; E262-E264 VanDerWaalsContact O-N 3.15Å
263T61.1Low75.8Confident129 Ų129125.2 Ų125.279%0.79169%0.686SS**THydrogen-bonded Turntrans-73.23.1-178.727.70000114.3P261P261-T263 PolarHBondContact O-N 3.38Å
264E60Low76.4Confident179 Ų179124.1 Ų124.184%0.83668%0.676SS**THydrogen-bonded Turntrans-91.8-17.6-171.5-59.1-66.5151.800113.2E262E262-E264 PolarHBondContact O-N 3.29Å; E262-E264 VanDerWaalsContact O-N 3.15Å
265A76.3Confident77.4Confident72 Ų72119.3 Ų119.360%0.59567%0.665SS**SBendtrans-89.6129.1-178.900000111.1
266S80.8Confident78.8Confident107 Ų107120.7 Ų120.775%0.74865%0.653SS**PPolyproline II helixtrans-58.6138.5167.248.10000109.4S268S266-S268 PolarHBondContact O-N 3.17Å
267P86.4Confident80.4Confident79 Ų79117.7 Ų117.751%0.51364%0.642SS.*PPolyproline II helixtrans-52.9139-178.1-27.734.3000111.6E271 I272P267-E271 WeakPolarHBondContact CA-OE2 3.39Å; P267-E271 HydrophobicContact CB-CB 4.34Å; P267-I272 HydrophobicContact CB-CG1 4.07Å
268S91.8Very high81.9Confident47 Ų47117.5 Ų117.533%0.32963%0.627SS.*PPolyproline II helixtrans-64.8154.2177.571.60000110.8S266 W270 E271 I272S266-S268 PolarHBondContact O-N 3.17Å; S268-W270 PolarHBondContact O-N 3.42Å; S268-W270 VanDerWaalsContact O-N 3.14Å; S268-E271 WeakPolarHBondContact CB-OE1 3.45Å; S268-E271 PolarHBondContact N-OE2 3.28Å; S268-E271 VanDerWaalsContact N-OE2 3.16Å; S268-E271 WeakPolarHBondContact O-CB 3.22Å; S268-E271 PolarHBondContact O-N 3.25Å; S268-E271 WeakPolarHBondContact OG-CG 3.39Å; S268-E271 PolarHBondContact OG-N 3.06Å; S268-E271 PolarHBondContact OG-OE1 3.15Å; S268-I272 WeakPolarHBondContact O-CG1 3.41Å; S268-I272 PolarHBondContact O-N 2.82Å
269L94.8Very high83.4Confident125 Ų125112.3 Ų112.365%0.65461%0.606SS**Hα-helixtrans-54.5-35.8176.5178.662.9000112I272 E273L269-I272 PolarHBondContact O-N 2.84Å; L269-E273 HydrophobicContact CD1-CG 4.45Å; L269-E273 PolarHBondContact O-N 3.26Å
270W94.4Very high84.6Confident221 Ų221107 Ų10784%0.83759%0.587SS**Hα-helixtrans-65-40.1176.4-69.4109.8000112.4S268 F274S268-W270 PolarHBondContact O-N 3.42Å; S268-W270 VanDerWaalsContact O-N 3.14Å; W270-F274 WeakPolarHBondContact O-CB 3.5Å; W270-F274 PolarHBondContact O-N 3.27Å
271E93.6Very high86Confident111 Ų111108.7 Ų108.752%0.51959%0.588SS.*Hα-helixtrans-65.9-40174.7-74151.2-134.600111.8P267 S268 F274 A275P267-E271 WeakPolarHBondContact CA-OE2 3.39Å; P267-E271 HydrophobicContact CB-CB 4.34Å; S268-E271 WeakPolarHBondContact CB-OE1 3.45Å; S268-E271 PolarHBondContact N-OE2 3.28Å; S268-E271 VanDerWaalsContact N-OE2 3.16Å; S268-E271 WeakPolarHBondContact O-CB 3.22Å; S268-E271 PolarHBondContact O-N 3.25Å; S268-E271 WeakPolarHBondContact OG-CG 3.39Å; S268-E271 PolarHBondContact OG-N 3.06Å; S268-E271 PolarHBondContact OG-OE1 3.15Å; E271-F274 PolarHBondContact O-N 2.85Å; E271-A275 VanDerWaalsContact O-CB 3.25Å; E271-A275 WeakPolarHBondContact O-CB 3.05Å; E271-A275 PolarHBondContact O-N 2.91Å
272I93.9Very high86.8Confident93 Ų93109.7 Ų109.748%0.47759%0.587SS.*Hα-helixtrans-64.2-49.9178.1-63169000110.7P267 S268 L269 F274 A275 K276P267-I272 HydrophobicContact CB-CG1 4.07Å; S268-I272 WeakPolarHBondContact O-CG1 3.41Å; S268-I272 PolarHBondContact O-N 2.82Å; L269-I272 PolarHBondContact O-N 2.84Å; I272-F274 VanDerWaalsContact C-N 3.32Å; I272-F274 PolarHBondContact O-N 2.87Å; I272-A275 PolarHBondContact O-N 3Å; I272-K276 PolarHBondContact O-N 2.65Å
273E94.9Very high87.8Confident84 Ų84107.5 Ų107.539%0.39358%0.577SS.*Hα-helixtrans-64.6-37.6177.5-77.5-63.814800111.8L269 K276 Q277L269-E273 HydrophobicContact CD1-CG 4.45Å; L269-E273 PolarHBondContact O-N 3.26Å; E273-K276 WeakPolarHBondContact O-CB 3.46Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-Q277 WeakPolarHBondContact O-CG 3.38Å; E273-Q277 PolarHBondContact O-N 3.41Å
274F95.4Very high88.9Confident121 Ų121108.6 Ų108.653%0.53157%0.573SS.*Hα-helixtrans-65.6-42.8174.9-174.6-107.7000111.9W270 E271 I272 K276 Q277 L278W270-F274 WeakPolarHBondContact O-CB 3.5Å; W270-F274 PolarHBondContact O-N 3.27Å; E271-F274 PolarHBondContact O-N 2.85Å; I272-F274 VanDerWaalsContact C-N 3.32Å; I272-F274 PolarHBondContact O-N 2.87Å; F274-K276 VanDerWaalsContact C-N 3.29Å; F274-K276 PolarHBondContact O-N 3.28Å; F274-Q277 PolarHBondContact O-N 3.04Å; F274-L278 HydrophobicContact CD1-CD1 3.96Å; F274-L278 HydrophobicContact CD1-CG 4.36Å; F274-L278 HydrophobicContact CE1-CD1 3.61Å; F274-L278 HydrophobicContact CE1-CD2 4.44Å; F274-L278 HydrophobicContact CE1-CG 4.06Å; F274-L278 HydrophobicContact CZ-CD1 4.26Å; F274-L278 HydrophobicContact CZ-CD2 4.27Å; F274-L278 HydrophobicContact CZ-CG 4.29Å; F274-L278 WeakPolarHBondContact O-CG 3.44Å; F274-L278 PolarHBondContact O-N 2.66Å
275A93.9Very high90.1Very high53 Ų53105.9 Ų105.944%0.43857%0.571SS.*Hα-helixtrans-61.7-37.5175.100000111.9E271 I272 L278 A279E271-A275 VanDerWaalsContact O-CB 3.25Å; E271-A275 WeakPolarHBondContact O-CB 3.05Å; E271-A275 PolarHBondContact O-N 2.91Å; I272-A275 PolarHBondContact O-N 3Å; A275-L278 PolarHBondContact O-N 3.41Å; A275-A279 PolarHBondContact O-N 2.84Å
276K93.8Very high90.5Very high125 Ų125106 Ų10654%0.54356%0.561SS.*Hα-helixtrans-63.4-44.8173.1-176.5-179.2174.6-175.40111.9I272 E273 F274 L278 A279 T280I272-K276 PolarHBondContact O-N 2.65Å; E273-K276 WeakPolarHBondContact O-CB 3.46Å; E273-K276 PolarHBondContact O-N 3.48Å; F274-K276 VanDerWaalsContact C-N 3.29Å; F274-K276 PolarHBondContact O-N 3.28Å; K276-L278 VanDerWaalsContact C-N 3.31Å; K276-L278 PolarHBondContact O-N 2.88Å; K276-A279 WeakPolarHBondContact O-CB 3.18Å; K276-A279 PolarHBondContact O-N 2.67Å; K276-A279 VanDerWaalsContact O-N 3.16Å; K276-T280 PolarHBondContact O-N 3.26Å; K276-T280 PolarHBondContact O-OG1 3.15Å
277Q94.3Very high90.8Very high121 Ų121104.4 Ų104.457%0.56556%0.561SS**Hα-helixtrans-60.6-40.8174.9-70.117711.500111.9E273 F274 T280 V281E273-Q277 WeakPolarHBondContact O-CG 3.38Å; E273-Q277 PolarHBondContact O-N 3.41Å; F274-Q277 PolarHBondContact O-N 3.04Å; Q277-T280 PolarHBondContact O-N 3.48Å; Q277-V281 WeakPolarHBondContact O-CG2 3.29Å; Q277-V281 PolarHBondContact O-N 2.97Å; Q277-V281 VanDerWaalsContact O-N 3.15Å
278L92.4Very high91.1Very high90 Ų90105.1 Ų105.147%0.47156%0.561SS.*Hα-helixtrans-63.4-39.2174.1-70.3178000112.4F274 A275 K276 T280 V281 N282F274-L278 HydrophobicContact CD1-CD1 3.96Å; F274-L278 HydrophobicContact CD1-CG 4.36Å; F274-L278 HydrophobicContact CE1-CD1 3.61Å; F274-L278 HydrophobicContact CE1-CD2 4.44Å; F274-L278 HydrophobicContact CE1-CG 4.06Å; F274-L278 HydrophobicContact CZ-CD1 4.26Å; F274-L278 HydrophobicContact CZ-CD2 4.27Å; F274-L278 HydrophobicContact CZ-CG 4.29Å; F274-L278 WeakPolarHBondContact O-CG 3.44Å; F274-L278 PolarHBondContact O-N 2.66Å; A275-L278 PolarHBondContact O-N 3.41Å; K276-L278 VanDerWaalsContact C-N 3.31Å; K276-L278 PolarHBondContact O-N 2.88Å; L278-T280 VanDerWaalsContact C-N 3.34Å; L278-V281 PolarHBondContact O-N 3.22Å; L278-N282 PolarHBondContact O-N 3.06Å
279A91.8Very high91.2Very high50 Ų50104.6 Ų104.641%0.41356%0.563SS.*Hα-helixtrans-62-43174.700000111.1A275 K276 V281 N282 E283A275-A279 PolarHBondContact O-N 2.84Å; K276-A279 WeakPolarHBondContact O-CB 3.18Å; K276-A279 PolarHBondContact O-N 2.67Å; K276-A279 VanDerWaalsContact O-N 3.16Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3.07Å; A279-N282 CarbonylContact O-C 3.47Å; A279-N282 WeakPolarHBondContact O-CA 3.3Å; A279-N282 WeakPolarHBondContact O-CB 3.4Å; A279-N282 PolarHBondContact O-N 3.16Å; A279-E283 PolarHBondContact O-N 3.4Å
280T90.6Very high91.2Very high71 Ų71105.3 Ų105.344%0.43656%0.561SS.*Hα-helixtrans-64.9-31178.1-55.90000113.7K276 Q277 L278 N282 E283K276-T280 PolarHBondContact O-N 3.26Å; K276-T280 PolarHBondContact O-OG1 3.15Å; Q277-T280 PolarHBondContact O-N 3.48Å; L278-T280 VanDerWaalsContact C-N 3.34Å; T280-N282 PolarHBondContact O-N 2.71Å; T280-E283 WeakPolarHBondContact CA-OE1 3.17Å; T280-E283 WeakPolarHBondContact O-CB 3.31Å; T280-E283 PolarHBondContact O-N 2.8Å; T280-E283 PolarHBondContact OG1-OE1 3.43Å
281V91.9Very high91.2Very high119 Ų11998.4 Ų98.472%0.72154%0.538SS*.Hα-helixtrans-63.8-29.3171.8174.20000111.7Q277 L278 A279Q277-V281 WeakPolarHBondContact O-CG2 3.29Å; Q277-V281 PolarHBondContact O-N 2.97Å; Q277-V281 VanDerWaalsContact O-N 3.15Å; L278-V281 PolarHBondContact O-N 3.22Å; A279-V281 VanDerWaalsContact C-N 3.32Å; A279-V281 PolarHBondContact O-N 3.07Å
282N87.4Confident91.1Very high129 Ų12997 Ų9769%0.6953%0.531SS*.Hα-helixtrans-92.1-6.3177.2-65.5-30.9000113.4L278 A279 T280 Q284L278-N282 PolarHBondContact O-N 3.06Å; A279-N282 CarbonylContact O-C 3.47Å; A279-N282 WeakPolarHBondContact O-CA 3.3Å; A279-N282 WeakPolarHBondContact O-CB 3.4Å; A279-N282 PolarHBondContact O-N 3.16Å; T280-N282 PolarHBondContact O-N 2.71Å; N282-Q284 PolarHBondContact O-N 3.41Å; N282-Q284 VanDerWaalsContact O-N 3.14Å
283E84.6Confident91.1Very high132 Ų13296.8 Ų96.862%0.61753%0.53SS*.  trans-67.6111.6176.7-76.9169.8-144.900109.4A279 T280A279-E283 PolarHBondContact O-N 3.4Å; T280-E283 WeakPolarHBondContact CA-OE1 3.17Å; T280-E283 WeakPolarHBondContact O-CB 3.31Å; T280-E283 PolarHBondContact O-N 2.8Å; T280-E283 PolarHBondContact OG1-OE1 3.43Å
284Q83.8Confident91Very high152 Ų15297.2 Ų97.271%0.7153%0.533SS*.  trans-110.8146.2170.6-66.2-174-3.300108.7N282 L286N282-Q284 PolarHBondContact O-N 3.41Å; N282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-L286 PolarHBondContact O-N 2.91Å
285P85.4Confident90.9Very high121 Ų12195.1 Ų95.179%0.78653%0.525SS*.  trans-60138.7170.527.5-33.7000109G287P285-G287 PolarHBondContact O-N 3.16Å
286L84.8Confident91Very high76 Ų7697.6 Ų97.640%0.39852%0.523SS..  trans-57.5114.7-179.4-59.3172.7000109.7Q284 E291 E292Q284-L286 PolarHBondContact O-N 2.91Å; L286-E291 WeakPolarHBondContact CA-OE2 3.4Å; L286-E291 HydrophobicContact CD2-CB 4.03Å; L286-E291 HydrophobicContact CD2-CG 3.58Å; L286-E292 HydrophobicContact CD1-CB 3.92Å; L286-E292 HydrophobicContact CD1-CG 4.15Å
287G86.1Confident91.1Very high72 Ų7293.8 Ų93.874%0.74251%0.51SS*.  trans-83.1-21-175.900000112.9P285 E291P285-G287 PolarHBondContact O-N 3.16Å; G287-E291 PolarHBondContact N-OE2 3.14Å
288N94.5Very high91Very high95 Ų9596.4 Ų96.451%0.50852%0.52SS..SBendtrans-145.6151.9-171.1-166.9-1.8000111.7F290 E291 E292N288-F290 PolarHBondContact O-N 3.37Å; N288-E291 VanDerWaalsContact O-CB 3.3Å; N288-E291 WeakPolarHBondContact O-CB 3.48Å; N288-E291 PolarHBondContact O-N 3.19Å; N288-E292 PolarHBondContact O-N 3.33Å
289G93.9Very high91Very high36 Ų3696.4 Ų96.437%0.37152%0.518SS..Hα-helixtrans-62.6-27.9175.300000113.3E291 E292 M293G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.04Å; G289-E292 PolarHBondContact O-N 2.97Å; G289-M293 WeakPolarHBondContact O-CG 3.35Å; G289-M293 PolarHBondContact O-N 3.45Å
290F94.3Very high91.1Very high139 Ų13997 Ų9761%0.6153%0.528SS*.Hα-helixtrans-64.6-34.8171.5-72.2-69.9000112.6N288 M293 I294N288-F290 PolarHBondContact O-N 3.37Å; F290-M293 HydrophobicContact CD1-SD 4.45Å; F290-M293 PolarHBondContact O-N 3.49Å; F290-I294 WeakPolarHBondContact O-CB 3.33Å; F290-I294 WeakPolarHBondContact O-CD1 3.45Å; F290-I294 WeakPolarHBondContact O-CG1 3.5Å; F290-I294 PolarHBondContact O-N 3.34Å
291E93.5Very high91.3Very high77 Ų77100.4 Ų100.436%0.3654%0.537SS..Hα-helixtrans-69.4-39.3178.1-159.6-179.617800110.8L286 G287 N288 G289 I294 Q295L286-E291 WeakPolarHBondContact CA-OE2 3.4Å; L286-E291 HydrophobicContact CD2-CB 4.03Å; L286-E291 HydrophobicContact CD2-CG 3.58Å; G287-E291 PolarHBondContact N-OE2 3.14Å; N288-E291 VanDerWaalsContact O-CB 3.3Å; N288-E291 WeakPolarHBondContact O-CB 3.48Å; N288-E291 PolarHBondContact O-N 3.19Å; G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.04Å; E291-I294 PolarHBondContact O-N 3.35Å; E291-Q295 WeakPolarHBondContact O-CB 3.3Å; E291-Q295 PolarHBondContact O-N 3.03Å
292E91.9Very high91.3Very high81 Ų8197.2 Ų97.238%0.37952%0.516SS..Hα-helixtrans-60.4-45.9171.3-173175.8-157.900111.6L286 N288 G289 I294 Q295 W296L286-E292 HydrophobicContact CD1-CB 3.92Å; L286-E292 HydrophobicContact CD1-CG 4.15Å; N288-E292 PolarHBondContact O-N 3.33Å; G289-E292 PolarHBondContact O-N 2.97Å; E292-I294 PolarHBondContact O-N 3Å; E292-Q295 PolarHBondContact O-N 3.34Å; E292-W296 HydrophobicContact CG-CD2 4.24Å; E292-W296 HydrophobicContact CG-CH2 4.26Å; E292-W296 HydrophobicContact CG-CZ2 3.74Å; E292-W296 PolarHBondContact O-N 3.37Å; E292-W296 WeakPolarHBondContact OE1-CZ2 3.47Å
293M93.7Very high91.6Very high89 Ų89100 Ų10044%0.43852%0.517SS..Hα-helixtrans-60.8-43.8174.8-70.3175.565.100111.9G289 F290 Q295 W296 T297 L302G289-M293 WeakPolarHBondContact O-CG 3.35Å; G289-M293 PolarHBondContact O-N 3.45Å; F290-M293 HydrophobicContact CD1-SD 4.45Å; F290-M293 PolarHBondContact O-N 3.49Å; M293-Q295 VanDerWaalsContact C-N 3.33Å; M293-Q295 PolarHBondContact O-N 3.34Å; M293-W296 PolarHBondContact O-N 3.43Å; M293-T297 PolarHBondContact O-N 3.17Å; M293-T297 PolarHBondContact O-OG1 3.04Å; M293-T297 VanDerWaalsContact O-OG1 3.05Å; M293-L302 HydrophobicContact CB-CD2 4.35Å; M293-L302 HydrophobicContact CE-CD2 4.17Å
294I93.8Very high92Very high92 Ų92100.3 Ų100.347%0.47252%0.518SS..Hα-helixtrans-62.3-42.7177-70.3161.8000110.5F290 E291 E292 T297 K298F290-I294 WeakPolarHBondContact O-CB 3.33Å; F290-I294 WeakPolarHBondContact O-CD1 3.45Å; F290-I294 WeakPolarHBondContact O-CG1 3.5Å; F290-I294 PolarHBondContact O-N 3.34Å; E291-I294 PolarHBondContact O-N 3.35Å; E292-I294 PolarHBondContact O-N 3Å; I294-T297 PolarHBondContact O-N 3.08Å; I294-K298 HydrophobicContact CG2-CD 4.21Å; I294-K298 WeakPolarHBondContact O-CG 3.37Å; I294-K298 PolarHBondContact O-N 2.85Å
295Q93.4Very high92.4Very high77 Ų77100.1 Ų100.136%0.3652%0.515SS..Hα-helixtrans-62.3-46.2175.9-179.2172.44.100111E291 E292 M293 T297 K298 E299E291-Q295 WeakPolarHBondContact O-CB 3.3Å; E291-Q295 PolarHBondContact O-N 3.03Å; E292-Q295 PolarHBondContact O-N 3.34Å; M293-Q295 VanDerWaalsContact C-N 3.33Å; M293-Q295 PolarHBondContact O-N 3.34Å; Q295-T297 VanDerWaalsContact C-N 3.3Å; Q295-T297 PolarHBondContact O-N 3.12Å; Q295-K298 PolarHBondContact O-N 3.34Å; Q295-E299 HydrophobicContact CG-CG 4.34Å; Q295-E299 VanDerWaalsContact CG-OE1 3.27Å; Q295-E299 WeakPolarHBondContact CG-OE1 3.11Å; Q295-E299 PolarHBondContact NE2-OE1 2.8Å; Q295-E299 WeakPolarHBondContact O-CB 3.3Å; Q295-E299 VanDerWaalsContact O-CG 3.3Å; Q295-E299 WeakPolarHBondContact O-CG 3.27Å; Q295-E299 PolarHBondContact O-N 3.14Å
296W95Very high92.9Very high105 Ų105100.1 Ų100.140%0.39852%0.515SS..Hα-helixtrans-63.4-34176.4-70-3.6000113.2E292 M293 G300 K301 L302E292-W296 HydrophobicContact CG-CD2 4.24Å; E292-W296 HydrophobicContact CG-CH2 4.26Å; E292-W296 HydrophobicContact CG-CZ2 3.74Å; E292-W296 PolarHBondContact O-N 3.37Å; E292-W296 WeakPolarHBondContact OE1-CZ2 3.47Å; M293-W296 PolarHBondContact O-N 3.43Å; W296-G300 PolarHBondContact O-N 3.4Å; W296-G300 VanDerWaalsContact O-N 3.16Å; W296-K301 HydrophobicContact CB-CB 4.12Å; W296-K301 HydrophobicContact CG-CB 4.49Å; W296-K301 HydrophobicContact CG-CD 4.38Å; W296-K301 PolarHBondContact O-N 2.9Å; W296-L302 HydrophobicContact CB-CB 4.09Å; W296-L302 PolarHBondContact O-N 3.3Å
297T95.4Very high93.3Very high45 Ų4599.9 Ų99.928%0.27652%0.517SS..Hα-helixtrans-67.4-44.8172-59.60000111.2M293 I294 Q295 E299 G300 E304M293-T297 PolarHBondContact O-N 3.17Å; M293-T297 PolarHBondContact O-OG1 3.04Å; M293-T297 VanDerWaalsContact O-OG1 3.05Å; I294-T297 PolarHBondContact O-N 3.08Å; Q295-T297 VanDerWaalsContact C-N 3.3Å; Q295-T297 PolarHBondContact O-N 3.12Å; T297-E299 VanDerWaalsContact C-N 3.28Å; T297-E299 PolarHBondContact O-N 3.03Å; T297-G300 PolarHBondContact O-N 2.92Å; T297-E304 HydrophobicContact CG2-CG 4.3Å
298K91.8Very high93.6Very high176 Ų176100.9 Ų100.977%0.76551%0.505SS*.Hα-helixtrans-62.3-35.2175.7-73174.4180177.50112.7I294 Q295 G300I294-K298 HydrophobicContact CG2-CD 4.21Å; I294-K298 WeakPolarHBondContact O-CG 3.37Å; I294-K298 PolarHBondContact O-N 2.85Å; Q295-K298 PolarHBondContact O-N 3.34Å; K298-G300 VanDerWaalsContact C-N 3.25Å; K298-G300 PolarHBondContact O-N 2.98Å
299E93.9Very high93.6Very high91 Ų91104 Ų10443%0.42552%0.521SS..THydrogen-bonded Turntrans-77.8-7175.5-70.1174.8-173.700113.1Q295 T297 K301Q295-E299 HydrophobicContact CG-CG 4.34Å; Q295-E299 VanDerWaalsContact CG-OE1 3.27Å; Q295-E299 WeakPolarHBondContact CG-OE1 3.11Å; Q295-E299 PolarHBondContact NE2-OE1 2.8Å; Q295-E299 WeakPolarHBondContact O-CB 3.3Å; Q295-E299 VanDerWaalsContact O-CG 3.3Å; Q295-E299 WeakPolarHBondContact O-CG 3.27Å; Q295-E299 PolarHBondContact O-N 3.14Å; T297-E299 VanDerWaalsContact C-N 3.28Å; T297-E299 PolarHBondContact O-N 3.03Å; E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 HydrophobicContact CB-CD 4.38Å; E299-K301 HydrophobicContact CB-CG 4.27Å; E299-K301 PolarHBondContact O-N 2.95Å; E299-K301 WeakPolarHBondContact OE2-CD 3.38Å; E299-K301 WeakPolarHBondContact OE2-CE 3.1Å; E299-K301 IonicContact OE2-NZ 3.37Å; E299-K301 PolarHBondContact OE2-NZ 3.19Å
300G92.8Very high93.4Very high61 Ų61108.8 Ų108.863%0.62953%0.534SS*.THydrogen-bonded Turntrans72.815.4-177.400000114.8W296 T297 K298W296-G300 PolarHBondContact O-N 3.4Å; W296-G300 VanDerWaalsContact O-N 3.16Å; T297-G300 PolarHBondContact O-N 2.92Å; K298-G300 VanDerWaalsContact C-N 3.25Å; K298-G300 PolarHBondContact O-N 2.98Å
301K94.3Very high93.3Very high143 Ų143105.3 Ų105.362%0.62253%0.532SS*.  trans-79.2-38.9176.3-68.8175.2177.7163.40112.2W296 E299W296-K301 HydrophobicContact CB-CB 4.12Å; W296-K301 HydrophobicContact CG-CB 4.49Å; W296-K301 HydrophobicContact CG-CD 4.38Å; W296-K301 PolarHBondContact O-N 2.9Å; E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 HydrophobicContact CB-CD 4.38Å; E299-K301 HydrophobicContact CB-CG 4.27Å; E299-K301 PolarHBondContact O-N 2.95Å; E299-K301 WeakPolarHBondContact OE2-CD 3.38Å; E299-K301 WeakPolarHBondContact OE2-CE 3.1Å; E299-K301 IonicContact OE2-NZ 3.37Å; E299-K301 PolarHBondContact OE2-NZ 3.19Å
302L93Very high93Very high53 Ų53106.1 Ų106.128%0.27756%0.56SS.*SBendtrans-94.6146.3176-16767.3000109.6M293 W296M293-L302 HydrophobicContact CB-CD2 4.35Å; M293-L302 HydrophobicContact CE-CD2 4.17Å; W296-L302 HydrophobicContact CB-CB 4.09Å; W296-L302 PolarHBondContact O-N 3.3Å
303W94.1Very high92.9Very high188 Ų188109.5 Ų109.571%0.71257%0.574SS**PPolyproline II helixtrans-61.1142.5172.3-69.6-5.5000111.5F305 V307W303-F305 VanDerWaalsContact O-CD2 3.29Å; W303-F305 WeakPolarHBondContact O-CD2 3.42Å; W303-F305 VanDerWaalsContact O-CE2 3.3Å; W303-F305 WeakPolarHBondContact O-CE2 3.37Å; W303-V307 HydrophobicContact CE3-CG1 3.94Å; W303-V307 HydrophobicContact CE3-CG2 4.17Å; W303-V307 HydrophobicContact CZ3-CG1 4.12Å
304E93.1Very high92.5Very high137 Ų137111.1 Ų111.164%0.6459%0.585SS**PPolyproline II helixtrans-75.7141.9170.7-63-176.8179.300110T297T297-E304 HydrophobicContact CG2-CG 4.3Å
305F92.4Very high92.1Very high149 Ų149108.1 Ų108.165%0.65457%0.569SS**SBendtrans-112.7139.9-179.2-70-86.8000110.5W303 V307W303-F305 VanDerWaalsContact O-CD2 3.29Å; W303-F305 WeakPolarHBondContact O-CD2 3.42Å; W303-F305 VanDerWaalsContact O-CE2 3.3Å; W303-F305 WeakPolarHBondContact O-CE2 3.37Å; F305-V307 HydrophobicContact CD1-CG2 3.81Å; F305-V307 HydrophobicContact CE1-CG2 3.69Å
306P94.3Very high91.6Very high121 Ų121109.1 Ų109.179%0.78658%0.577SS**SBendcis-69.4145.80.129.5-35.1000113N308P306-N308 PolarHBondContact O-N 2.92Å; P306-N308 VanDerWaalsContact O-N 3.12Å
307V93.4Very high91.2Very high71 Ų71106.7 Ų106.743%0.4358%0.584SS.*  trans-60.8117.1-174.8-178.40000110W303 F305W303-V307 HydrophobicContact CE3-CG1 3.94Å; W303-V307 HydrophobicContact CE3-CG2 4.17Å; W303-V307 HydrophobicContact CZ3-CG1 4.12Å; F305-V307 HydrophobicContact CD1-CG2 3.81Å; F305-V307 HydrophobicContact CE1-CG2 3.69Å
308N93.9Very high90.9Very high93 Ų93106.3 Ų106.350%0.49758%0.584SS.*  trans-106.3121.5170.7-178.17.1000109P306 E310 A311P306-N308 PolarHBondContact O-N 2.92Å; P306-N308 VanDerWaalsContact O-N 3.12Å; N308-E310 PolarHBondContact O-N 3.46Å; N308-E310 PolarHBondContact OD1-N 2.99Å; N308-A311 HydrophobicContact CB-CB 4.29Å; N308-A311 VanDerWaalsContact O-CB 3.31Å; N308-A311 WeakPolarHBondContact O-CB 3.35Å; N308-A311 PolarHBondContact O-N 3.3Å
309N93.7Very high90.9Very high159 Ų159103.2 Ų103.285%0.8557%0.572SS**THydrogen-bonded Turntrans-66.6-19.3178.7-65.1-28.5000112.9
310E90.4Very high90.8Very high137 Ų137105.5 Ų105.564%0.6458%0.581SS**THydrogen-bonded Turntrans-97.97.5179.8-61.5173.9-17900112N308 G312 F313N308-E310 PolarHBondContact O-N 3.46Å; N308-E310 PolarHBondContact OD1-N 2.99Å; E310-G312 PolarHBondContact O-N 3.37Å; E310-F313 PolarHBondContact O-N 3.42Å
311A90.8Very high90.8Very high67 Ų67105.3 Ų105.355%0.55456%0.564SS**THydrogen-bonded Turntrans-61.7124.1179.600000111.5N308 F313N308-A311 HydrophobicContact CB-CB 4.29Å; N308-A311 VanDerWaalsContact O-CB 3.31Å; N308-A311 WeakPolarHBondContact O-CB 3.35Å; N308-A311 PolarHBondContact O-N 3.3Å; A311-F313 PolarHBondContact O-N 3.15Å
312G87.8Confident90.7Very high93 Ų93100.7 Ų100.796%0.95955%0.546SS*.THydrogen-bonded Turntrans78.52.5-177.600000114.8E310E310-G312 PolarHBondContact O-N 3.37Å
313F89.2Confident90.7Very high152 Ų152100 Ų10067%0.66754%0.541SS*.  trans-110.4106.8171.2-177.2-101.9000109.3E310 A311E310-F313 PolarHBondContact O-N 3.42Å; A311-F313 PolarHBondContact O-N 3.15Å
314D86.1Confident90.6Very high124 Ų12495.1 Ų95.166%0.66353%0.528SS*.  trans-121.8124.6172.3-171.53.8000107.7D316 G317D314-D316 PolarHBondContact O-N 3Å; D314-G317 PolarHBondContact OD1-N 3.35Å; D314-G317 VanDerWaalsContact OD1-N 3.14Å
315D84.5Confident90.5Very high29 Ų2994.6 Ų94.616%0.15552%0.524CS..  trans-79.557.4-179.9-171.657.5000110.8G317 S318 H323 S357D315-G317 PolarHBondContact O-N 2.96Å; D315-G317 VanDerWaalsContact O-N 3.08Å; D315-S318 WeakPolarHBondContact O-CB 3.25Å; D315-S318 PolarHBondContact O-N 3.03Å; D315-S318 PolarHBondContact O-OG 3.11Å; D315-S318 WeakPolarHBondContact OD2-CB 3.43Å; D315-H323 IonicContact OD2-CE1 2.94Å; D315-H323 PolarHBondContact OD2-CE1 2.96Å; D315-H323 IonicContact OD2-NE2 2.91Å; D315-H323 PolarHBondContact OD2-NE2 3.49Å; D315-S357 WeakPolarHBondContact OD1-CA 3.45Å; D315-S357 WeakPolarHBondContact OD1-CB 3.35Å
316D83.7Confident90.5Very high98 Ų9887.6 Ų87.652%0.52449%0.493SS..THydrogen-bonded Turntrans55.524.4-177.1-64.2-60.6000114.2D314 S318 K359D314-D316 PolarHBondContact O-N 3Å; D316-S318 PolarHBondContact O-N 3.34Å; D316-K359 IonicContact OD1-NZ 2.94Å; D316-K359 PolarHBondContact OD1-NZ 3.18Å; D316-K359 VanDerWaalsContact OD1-NZ 3.14Å; D316-K359 WeakPolarHBondContact OD2-CE 3.45Å; D316-K359 IonicContact OD2-NZ 2.9Å; D316-K359 PolarHBondContact OD2-NZ 2.99Å
317G86.4Confident90.2Very high53 Ų5386.3 Ų86.355%0.54648%0.479SS..THydrogen-bonded Turntrans70.118-173.500000114.2D314 D315D314-G317 PolarHBondContact OD1-N 3.35Å; D314-G317 VanDerWaalsContact OD1-N 3.14Å; D315-G317 PolarHBondContact O-N 2.96Å; D315-G317 VanDerWaalsContact O-N 3.08Å
318S90.1Very high90Very high38 Ų3888.3 Ų88.327%0.26648%0.483SS..  trans-70.6134179.2-55.50000111.2D315 D316D315-S318 WeakPolarHBondContact O-CB 3.25Å; D315-S318 PolarHBondContact O-N 3.03Å; D315-S318 PolarHBondContact O-OG 3.11Å; D315-S318 WeakPolarHBondContact OD2-CB 3.43Å; D316-S318 PolarHBondContact O-N 3.34Å
319E91.7Very high89.6Confident110 Ų11087.5 Ų87.551%0.51448%0.476SS..  trans-86.8168.8176.4-67.8-171.2-165.400112H321 D322 H323E319-H321 VanDerWaalsContact CB-ND1 3.35Å; E319-H321 WeakPolarHBondContact CB-ND1 3.47Å; E319-H321 PolarHBondContact O-N 3.05Å; E319-H321 IonicContact OE2-CE1 2.66Å; E319-H321 PolarHBondContact OE2-CE1 2.97Å; E319-H321 IonicContact OE2-ND1 2.85Å; E319-H321 PolarHBondContact OE2-ND1 3.39Å; E319-D322 PolarHBondContact O-N 2.94Å; E319-H323 PolarHBondContact O-ND1 3.24Å; E319-H323 VanDerWaalsContact O-ND1 3.13Å
320F92.1Very high89.2Confident140 Ų14080 Ų8061%0.61444%0.436SS*.Hα-helixtrans-59.4-32.3178.176-86.6000112.3D322 H323 I324F320-D322 VanDerWaalsContact C-N 3.28Å; F320-D322 PolarHBondContact O-N 3.4Å; F320-H323 PolarHBondContact O-N 2.77Å; F320-I324 HydrophobicContact CD2-CD1 4.07Å; F320-I324 WeakPolarHBondContact O-CG1 3.49Å; F320-I324 PolarHBondContact O-N 3.2Å
321H92.3Very high88.8Confident57 Ų5781.9 Ų81.926%0.26444%0.444SS..Hα-helixtrans-71.4-25.8-174.869.3-104000111.8E319 F325E319-H321 VanDerWaalsContact CB-ND1 3.35Å; E319-H321 WeakPolarHBondContact CB-ND1 3.47Å; E319-H321 PolarHBondContact O-N 3.05Å; E319-H321 IonicContact OE2-CE1 2.66Å; E319-H321 PolarHBondContact OE2-CE1 2.97Å; E319-H321 IonicContact OE2-ND1 2.85Å; E319-H321 PolarHBondContact OE2-ND1 3.39Å; H321-F325 HydrophobicContact CB-CD2 3.79Å; H321-F325 HydrophobicContact CB-CE2 4.07Å; H321-F325 WeakPolarHBondContact O-CA 3.3Å; H321-F325 VanDerWaalsContact O-CB 3.28Å; H321-F325 WeakPolarHBondContact O-CB 3.49Å; H321-F325 VanDerWaalsContact O-CD2 3.31Å; H321-F325 WeakPolarHBondContact O-CD2 3.12Å; H321-F325 PolarHBondContact O-N 3.35Å
322D91.8Very high88.2Confident46 Ų4680 Ų8025%0.24643%0.431CS..Hα-helixtrans-78.4-27.2173.8-64.3-37.8000112.3E319 F320 L326 K328 V358E319-D322 PolarHBondContact O-N 2.94Å; F320-D322 VanDerWaalsContact C-N 3.28Å; F320-D322 PolarHBondContact O-N 3.4Å; D322-L326 WeakPolarHBondContact O-CD2 3.42Å; D322-K328 IonicContact OD1-NZ 2.91Å; D322-K328 PolarHBondContact OD1-NZ 3.11Å; D322-V358 HydrophobicContact CB-CG1 4.31Å; D322-V358 HydrophobicContact CB-CG2 4.04Å
323H92.5Very high88Confident38 Ų3875.9 Ų75.918%0.17639%0.387CS..Hα-helixtrans-76.2-34.7172.8-73.482.5000113.4D315 E319 F320 S351 V358 K361D315-H323 IonicContact OD2-CE1 2.94Å; D315-H323 PolarHBondContact OD2-CE1 2.96Å; D315-H323 IonicContact OD2-NE2 2.91Å; D315-H323 PolarHBondContact OD2-NE2 3.49Å; E319-H323 PolarHBondContact O-ND1 3.24Å; E319-H323 VanDerWaalsContact O-ND1 3.13Å; F320-H323 PolarHBondContact O-N 2.77Å; H323-S351 WeakPolarHBondContact O-CA 3.38Å; H323-V358 VanDerWaalsContact CE1-CG2 3.4Å; H323-V358 WeakPolarHBondContact CE1-CG2 3.28Å; H323-K361 PolarHBondContact CD2-NZ 3.03Å
324I92.1Very high87.8Confident86 Ų8669.6 Ų69.644%0.44136%0.361SS..Hα-helixtrans-91.6-45.4-173.5-62.5179.7000111.2F320 L326F320-I324 HydrophobicContact CD2-CD1 4.07Å; F320-I324 WeakPolarHBondContact O-CG1 3.49Å; F320-I324 PolarHBondContact O-N 3.2Å; I324-L326 PolarHBondContact O-N 2.89Å
325F92Very high87.6Confident125 Ų12572.3 Ų72.355%0.54837%0.367SS..  trans-96.174.4-174.5-54.6-65.9000111.7H321 D327H321-F325 HydrophobicContact CB-CD2 3.79Å; H321-F325 HydrophobicContact CB-CE2 4.07Å; H321-F325 WeakPolarHBondContact O-CA 3.3Å; H321-F325 VanDerWaalsContact O-CB 3.28Å; H321-F325 WeakPolarHBondContact O-CB 3.49Å; H321-F325 VanDerWaalsContact O-CD2 3.31Å; H321-F325 WeakPolarHBondContact O-CD2 3.12Å; H321-F325 PolarHBondContact O-N 3.35Å; F325-D327 PolarHBondContact O-N 2.9Å
326L91.6Very high87.3Confident2 Ų279.5 Ų79.51%0.0140%0.399CS..G310 helixtrans-79.91.7176.1-60.7172.9000113.7D322 I324 K328 H329 T347 L350 K361 I365D322-L326 WeakPolarHBondContact O-CD2 3.42Å; I324-L326 PolarHBondContact O-N 2.89Å; L326-K328 PolarHBondContact O-N 3.41Å; L326-H329 PolarHBondContact O-N 2.97Å; L326-T347 HydrophobicContact CB-CG2 3.99Å; L326-L350 HydrophobicContact CD1-CB 3.54Å; L326-L350 HydrophobicContact CD1-CD1 4.3Å; L326-K361 HydrophobicContact CD1-CB 4.29Å; L326-K361 HydrophobicContact CD1-CD 4.21Å; L326-K361 HydrophobicContact CD2-CB 4.25Å; L326-K361 HydrophobicContact CD2-CD 4.49Å; L326-I365 HydrophobicContact CB-CD1 4.14Å; L326-I365 HydrophobicContact CD1-CD1 4.45Å
327D88.9Confident87.4Confident94 Ų9476.4 Ų76.450%0.50339%0.391SS..G310 helixtrans-62.8-24.7-180-162.821.4000112.1F325 H329 L330 R340F325-D327 PolarHBondContact O-N 2.9Å; D327-H329 PolarHBondContact O-N 2.94Å; D327-H329 VanDerWaalsContact O-N 3.16Å; D327-L330 WeakPolarHBondContact O-CB 3.48Å; D327-L330 PolarHBondContact O-N 3.41Å; D327-R340 IonicContact OD1-CZ 3.94Å; D327-R340 IonicContact OD1-NH2 3.84Å; D327-R340 PolarHBondContact OD1-NH2 2.95Å; D327-R340 IonicContact OD2-NH2 3.14Å
328K88.1Confident87.5Confident114 Ų11478 Ų7850%0.49639%0.392SS..G310 helixtrans-53.5-34.4171.6-59.7177.1-173.6171.40112.2D322 L326D322-K328 IonicContact OD1-NZ 2.91Å; D322-K328 PolarHBondContact OD1-NZ 3.11Å; L326-K328 PolarHBondContact O-N 3.41Å
329H86Confident87.4Confident76 Ų7676.7 Ų76.735%0.35238%0.381SS..G310 helixtrans-89.4-2.3-178.4-58-75.5000113.2L326 D327 V362 I365L326-H329 PolarHBondContact O-N 2.97Å; D327-H329 PolarHBondContact O-N 2.94Å; D327-H329 VanDerWaalsContact O-N 3.16Å; H329-V362 WeakPolarHBondContact NE2-CG2 3.47Å; H329-I365 HydrophobicContact CB-CD1 3.98Å; H329-I365 HydrophobicContact CB-CG2 4.15Å
330L85.6Confident87.4Confident2 Ų273.4 Ų73.41%0.0136%0.364CS..G310 helixtrans-89.40178.8-65-176.1000113.9D327 G332 F333 M343 T347D327-L330 WeakPolarHBondContact O-CB 3.48Å; D327-L330 PolarHBondContact O-N 3.41Å; L330-G332 PolarHBondContact O-N 2.93Å; L330-F333 HydrophobicContact CD2-CD2 4.05Å; L330-F333 HydrophobicContact CD2-CE2 4.27Å; L330-F333 PolarHBondContact O-N 3.45Å; L330-F333 VanDerWaalsContact O-N 3.12Å; L330-M343 HydrophobicContact CD2-CB 3.87Å; L330-M343 HydrophobicContact CD2-CE 3.93Å; L330-T347 HydrophobicContact CD1-CG2 3.95Å; L330-T347 HydrophobicContact CD2-CG2 3.81Å; L330-T347 HydrophobicContact CG-CG2 4.03Å
331E81.6Confident87.3Confident176 Ų17671.8 Ų71.882%0.82236%0.361SS*.THydrogen-bonded Turntrans-61.8-25.3179.3-67-173173.200113.5F333E331-F333 VanDerWaalsContact C-N 3.26Å; E331-F333 PolarHBondContact O-N 3.32Å
332G77.9Confident87.3Confident26 Ų2673.3 Ų73.327%0.26837%0.367SS..THydrogen-bonded Turntrans-81.76.6176.800000115.2L330L330-G332 PolarHBondContact O-N 2.93Å
333F83.4Confident87.4Confident8 Ų871.1 Ų71.14%0.03536%0.355CS..SBendtrans-115.7152.2-179.6-66.9-95.9000110.9L330 E331 K335 I339 M343 I365 F368 R369 F372 F386L330-F333 HydrophobicContact CD2-CD2 4.05Å; L330-F333 HydrophobicContact CD2-CE2 4.27Å; L330-F333 PolarHBondContact O-N 3.45Å; L330-F333 VanDerWaalsContact O-N 3.12Å; E331-F333 VanDerWaalsContact C-N 3.26Å; E331-F333 PolarHBondContact O-N 3.32Å; F333-K335 PolarHBondContact O-N 3.03Å; F333-I339 HydrophobicContact CD1-CG2 3.94Å; F333-M343 HydrophobicContact CD1-CG 3.65Å; F333-M343 HydrophobicContact CD1-SD 4.36Å; F333-M343 HydrophobicContact CE1-CE 3.94Å; F333-M343 HydrophobicContact CE1-CG 3.62Å; F333-M343 HydrophobicContact CE1-SD 3.71Å; F333-M343 HydrophobicContact CE2-CE 3.94Å; F333-M343 HydrophobicContact CG-CG 4.21Å; F333-M343 HydrophobicContact CZ-CE 3.53Å; F333-M343 HydrophobicContact CZ-CG 4.18Å; F333-M343 HydrophobicContact CZ-SD 3.94Å; F333-I365 HydrophobicContact CE2-CG2 3.82Å; F333-I365 HydrophobicContact CZ-CG2 4.28Å; F333-F368 HydrophobicContact CE1-CB 4.49Å; F333-F368 HydrophobicContact CZ-CB 4.29Å; F333-R369 HydrophobicContact CE2-CB 4.39Å; F333-R369 HydrophobicContact CZ-CB 3.93Å; F333-F372 HydrophobicContact CD1-CD2 4.45Å; F333-F372 AromaticContact CE1-CD2 3.8Å; F333-F372 HydrophobicContact CE1-CD2 3.8Å; F333-F372 HydrophobicContact CE1-CE2 4.04Å; F333-F386 AromaticContact CD1-CE2 3.77Å; F333-F386 HydrophobicContact CD1-CE2 3.77Å; F333-F386 HydrophobicContact CD1-CZ 4.18Å; F333-F386 HydrophobicContact CE1-CE2 4.27Å; F333-F386 HydrophobicContact CE1-CZ 4.44Å
334P85.6Confident87.3Confident19 Ų1973.6 Ų73.612%0.12337%0.367CS..  trans-58.4133.7175.523.6-33.5000110.8Q336 I339 R340 F386P334-Q336 PolarHBondContact O-N 3.22Å; P334-I339 HydrophobicContact CG-CB 4.22Å; P334-I339 HydrophobicContact CG-CG2 4.37Å; P334-R340 WeakPolarHBondContact O-CB 3.41Å; P334-F386 HydrophobicContact CG-CD2 4.1Å
335K81Confident87.4Confident182 Ų18275.2 Ų75.279%0.79138%0.376SS*.SBendtrans-68-21.5-177.3-65-175.9-179.4-177.90113.5F333F333-K335 PolarHBondContact O-N 3.03Å
336Q79.4Confident87.5Confident179 Ų17970.5 Ų70.584%0.83636%0.357SS*.SBendtrans-133.4140.6-179.8-64.7-178.4-0.900109P334P334-Q336 PolarHBondContact O-N 3.22Å
337G85.3Confident87.6Confident33 Ų3371.2 Ų71.234%0.3436%0.362SS..SBendtrans129.9176.7173.400000114I339 R340 I341G337-I339 PolarHBondContact O-N 2.9Å; G337-R340 WeakPolarHBondContact O-CB 3.47Å; G337-R340 PolarHBondContact O-N 2.94Å; G337-R340 VanDerWaalsContact O-N 3.13Å; G337-I341 PolarHBondContact O-N 3.21Å
338P89.3Confident87.8Confident87 Ų8769 Ų6957%0.56535%0.354SS*.Hα-helixtrans-60.1-32.2-178.4-2434.4000113.3I341 F342P338-I341 PolarHBondContact O-N 3.4Å; P338-F342 WeakPolarHBondContact O-CB 3.35Å; P338-F342 PolarHBondContact O-N 2.99Å
339I88.1Confident88.1Confident10 Ų1065.6 Ų65.65%0.05135%0.351CS..Hα-helixtrans-65.6-39.9178.5-60.4176.3000110.6F333 P334 G337 F342 M343 F372 L379 V384 F386F333-I339 HydrophobicContact CD1-CG2 3.94Å; P334-I339 HydrophobicContact CG-CB 4.22Å; P334-I339 HydrophobicContact CG-CG2 4.37Å; G337-I339 PolarHBondContact O-N 2.9Å; I339-F342 PolarHBondContact O-N 3.16Å; I339-M343 HydrophobicContact CG2-CG 4.34Å; I339-M343 WeakPolarHBondContact O-CB 3.32Å; I339-M343 WeakPolarHBondContact O-CG 3.47Å; I339-M343 PolarHBondContact O-N 3.24Å; I339-F372 HydrophobicContact CD1-CD1 4.44Å; I339-F372 HydrophobicContact CG1-CE1 4.48Å; I339-F372 HydrophobicContact CG2-CD2 4.29Å; I339-F372 HydrophobicContact CG2-CE2 3.98Å; I339-F372 HydrophobicContact CG2-CZ 4.14Å; I339-L379 HydrophobicContact CD1-CD1 4.1Å; I339-L379 HydrophobicContact CD1-CD2 4.18Å; I339-V384 HydrophobicContact CD1-CG1 3.59Å; I339-V384 HydrophobicContact CG1-CG1 3.99Å; I339-F386 HydrophobicContact CD1-CB 4.43Å; I339-F386 HydrophobicContact CD1-CD2 3.68Å; I339-F386 HydrophobicContact CD1-CE2 4.48Å; I339-F386 HydrophobicContact CG2-CD2 4.33Å; I339-F386 HydrophobicContact CG2-CE2 4.19Å
340R89.9Confident88.5Confident42 Ų4262.9 Ų62.916%0.15834%0.339CS..Hα-helixtrans-61.9-48.1175.9-176.666.2-178.1-156.18.6111D327 P334 G337 F342 M343 E344D327-R340 IonicContact OD1-CZ 3.94Å; D327-R340 IonicContact OD1-NH2 3.84Å; D327-R340 PolarHBondContact OD1-NH2 2.95Å; D327-R340 IonicContact OD2-NH2 3.14Å; P334-R340 WeakPolarHBondContact O-CB 3.41Å; G337-R340 WeakPolarHBondContact O-CB 3.47Å; G337-R340 PolarHBondContact O-N 2.94Å; G337-R340 VanDerWaalsContact O-N 3.13Å; R340-F342 VanDerWaalsContact C-N 3.3Å; R340-F342 PolarHBondContact O-N 2.96Å; R340-M343 PolarHBondContact O-N 3.15Å; R340-E344 HydrophobicContact CG-CG 4.46Å; R340-E344 WeakPolarHBondContact CG-OE1 3.36Å; R340-E344 IonicContact CZ-OE1 3.78Å; R340-E344 IonicContact NE-OE1 3.88Å; R340-E344 PolarHBondContact NE-OE1 2.88Å; R340-E344 IonicContact NH2-OE1 2.88Å; R340-E344 WeakPolarHBondContact O-CB 3.45Å; R340-E344 VanDerWaalsContact O-CG 3.32Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.29Å
341I91Very high88.9Confident106 Ų10664.4 Ų64.454%0.54435%0.35SS..Hα-helixtrans-60.3-42.5178.7-60.3169.5000110.6G337 P338 E344 L345G337-I341 PolarHBondContact O-N 3.21Å; P338-I341 PolarHBondContact O-N 3.4Å; I341-E344 PolarHBondContact O-N 3.11Å; I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 3.01Å; I341-L345 VanDerWaalsContact O-N 3.13Å
342F92.6Very high89.5Confident88 Ų8863.6 Ų63.639%0.38634%0.344SS..Hα-helixtrans-63-47.3175.6175.6-99.2000111.9P338 I339 R340 E344 L345 V346 F368 F372P338-F342 WeakPolarHBondContact O-CB 3.35Å; P338-F342 PolarHBondContact O-N 2.99Å; I339-F342 PolarHBondContact O-N 3.16Å; R340-F342 VanDerWaalsContact C-N 3.3Å; R340-F342 PolarHBondContact O-N 2.96Å; F342-E344 VanDerWaalsContact C-N 3.33Å; F342-E344 PolarHBondContact O-N 3.49Å; F342-L345 WeakPolarHBondContact O-CB 3.4Å; F342-L345 PolarHBondContact O-N 3.06Å; F342-L345 VanDerWaalsContact O-N 3.15Å; F342-V346 HydrophobicContact CD1-CG2 4.16Å; F342-V346 HydrophobicContact CE1-CG2 3.68Å; F342-V346 HydrophobicContact CE2-CG2 4.28Å; F342-V346 HydrophobicContact CZ-CG2 3.74Å; F342-V346 WeakPolarHBondContact O-CG2 3.42Å; F342-V346 PolarHBondContact O-N 2.97Å; F342-F368 AromaticContact CE1-CD1 3.82Å; F342-F368 HydrophobicContact CE1-CD1 3.82Å; F342-F368 AromaticContact CE1-CE1 3.52Å; F342-F368 HydrophobicContact CE1-CE1 3.52Å; F342-F368 HydrophobicContact CE1-CZ 4.03Å; F342-F368 HydrophobicContact CZ-CD1 4.43Å; F342-F368 AromaticContact CZ-CE1 3.68Å; F342-F368 HydrophobicContact CZ-CE1 3.68Å; F342-F368 AromaticContact CZ-CZ 4Å; F342-F368 HydrophobicContact CZ-CZ 4Å; F342-F372 HydrophobicContact CD1-CZ 4.13Å; F342-F372 HydrophobicContact CE1-CZ 4.29Å
343M92.8Very high90.3Very high0 Ų064.6 Ų64.60%034%0.343CS..Hα-helixtrans-67.9-31.7179.3-71.1-55.2-58.900113L330 F333 I339 R340 L345 V346 T347 I365 F368 F372L330-M343 HydrophobicContact CD2-CB 3.87Å; L330-M343 HydrophobicContact CD2-CE 3.93Å; F333-M343 HydrophobicContact CD1-CG 3.65Å; F333-M343 HydrophobicContact CD1-SD 4.36Å; F333-M343 HydrophobicContact CE1-CE 3.94Å; F333-M343 HydrophobicContact CE1-CG 3.62Å; F333-M343 HydrophobicContact CE1-SD 3.71Å; F333-M343 HydrophobicContact CE2-CE 3.94Å; F333-M343 HydrophobicContact CG-CG 4.21Å; F333-M343 HydrophobicContact CZ-CE 3.53Å; F333-M343 HydrophobicContact CZ-CG 4.18Å; F333-M343 HydrophobicContact CZ-SD 3.94Å; I339-M343 HydrophobicContact CG2-CG 4.34Å; I339-M343 WeakPolarHBondContact O-CB 3.32Å; I339-M343 WeakPolarHBondContact O-CG 3.47Å; I339-M343 PolarHBondContact O-N 3.24Å; R340-M343 PolarHBondContact O-N 3.15Å; M343-L345 VanDerWaalsContact C-N 3.32Å; M343-V346 PolarHBondContact O-N 3.45Å; M343-T347 WeakPolarHBondContact O-CB 3.4Å; M343-T347 WeakPolarHBondContact O-CG2 3.47Å; M343-T347 PolarHBondContact O-N 3.49Å; M343-T347 PolarHBondContact O-OG1 3.45Å; M343-I365 HydrophobicContact CE-CG1 4.47Å; M343-I365 HydrophobicContact CE-CG2 3.99Å; M343-F368 HydrophobicContact CE-CB 4.14Å; M343-F368 HydrophobicContact CE-CD2 4.31Å; M343-F368 HydrophobicContact CE-CG 4.45Å; M343-F368 HydrophobicContact SD-CB 3.85Å; M343-F368 HydrophobicContact SD-CD2 4.25Å; M343-F368 HydrophobicContact SD-CG 3.98Å; M343-F372 HydrophobicContact SD-CE2 4.21Å
344E91.4Very high90.7Very high90 Ų9069.5 Ų69.542%0.42138%0.375SS..Hα-helixtrans-63.7-37.7170.8-77.2172.7-173.300111.6R340 I341 F342 T347 S348R340-E344 HydrophobicContact CG-CG 4.46Å; R340-E344 WeakPolarHBondContact CG-OE1 3.36Å; R340-E344 IonicContact CZ-OE1 3.78Å; R340-E344 IonicContact NE-OE1 3.88Å; R340-E344 PolarHBondContact NE-OE1 2.88Å; R340-E344 IonicContact NH2-OE1 2.88Å; R340-E344 WeakPolarHBondContact O-CB 3.45Å; R340-E344 VanDerWaalsContact O-CG 3.32Å; R340-E344 WeakPolarHBondContact O-CG 3.48Å; R340-E344 PolarHBondContact O-N 3.29Å; I341-E344 PolarHBondContact O-N 3.11Å; F342-E344 VanDerWaalsContact C-N 3.33Å; F342-E344 PolarHBondContact O-N 3.49Å; E344-T347 WeakPolarHBondContact CA-OG1 3.39Å; E344-T347 PolarHBondContact O-OG1 3Å; E344-T347 VanDerWaalsContact O-OG1 3.1Å; E344-S348 WeakPolarHBondContact O-CB 3.47Å; E344-S348 PolarHBondContact O-N 3.16Å
345L94.3Very high91Very high120 Ų12078.5 Ų78.563%0.62841%0.408SS*.Hα-helixtrans-67.5-43.3172.6-72167.6000112I341 F342 M343 S348 G349I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 3.01Å; I341-L345 VanDerWaalsContact O-N 3.13Å; F342-L345 WeakPolarHBondContact O-CB 3.4Å; F342-L345 PolarHBondContact O-N 3.06Å; F342-L345 VanDerWaalsContact O-N 3.15Å; M343-L345 VanDerWaalsContact C-N 3.32Å; L345-S348 PolarHBondContact O-N 3.3Å; L345-G349 PolarHBondContact O-N 3.42Å
346V93.9Very high91.6Very high26 Ų2671.6 Ų71.616%0.15838%0.38CS..Hα-helixtrans-61-50.5176.9171.80000110.5F342 M343 S348 G349 L350 F368F342-V346 HydrophobicContact CD1-CG2 4.16Å; F342-V346 HydrophobicContact CE1-CG2 3.68Å; F342-V346 HydrophobicContact CE2-CG2 4.28Å; F342-V346 HydrophobicContact CZ-CG2 3.74Å; F342-V346 WeakPolarHBondContact O-CG2 3.42Å; F342-V346 PolarHBondContact O-N 2.97Å; M343-V346 PolarHBondContact O-N 3.45Å; V346-S348 PolarHBondContact O-N 3.14Å; V346-G349 WeakPolarHBondContact O-CA 3.23Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.1Å; V346-L350 HydrophobicContact CG1-CD1 3.95Å; V346-L350 HydrophobicContact CG1-CG 4.35Å; V346-L350 WeakPolarHBondContact O-CG 3.45Å; V346-L350 PolarHBondContact O-N 3.24Å; V346-F368 HydrophobicContact CG1-CD2 4.14Å; V346-F368 HydrophobicContact CG1-CE2 3.73Å; V346-F368 HydrophobicContact CG2-CE2 4.06Å; V346-F368 HydrophobicContact CG2-CZ 4.17Å
347T93Very high92.2Very high17 Ų1764.1 Ų64.110%0.10435%0.347CS..Hα-helixtrans-64.6-39.5178.949.80000112.2L326 L330 M343 E344 G349 L350 S351 I365L326-T347 HydrophobicContact CB-CG2 3.99Å; L330-T347 HydrophobicContact CD1-CG2 3.95Å; L330-T347 HydrophobicContact CD2-CG2 3.81Å; L330-T347 HydrophobicContact CG-CG2 4.03Å; M343-T347 WeakPolarHBondContact O-CB 3.4Å; M343-T347 WeakPolarHBondContact O-CG2 3.47Å; M343-T347 PolarHBondContact O-N 3.49Å; M343-T347 PolarHBondContact O-OG1 3.45Å; E344-T347 WeakPolarHBondContact CA-OG1 3.39Å; E344-T347 PolarHBondContact O-OG1 3Å; E344-T347 VanDerWaalsContact O-OG1 3.1Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 3.41Å; T347-L350 PolarHBondContact O-N 3.38Å; T347-S351 WeakPolarHBondContact O-CB 3.32Å; T347-S351 PolarHBondContact O-N 3.08Å; T347-I365 HydrophobicContact CG2-CD1 4.03Å; T347-I365 HydrophobicContact CG2-CG1 4.5Å
348S93.3Very high92.6Very high48 Ų4863.5 Ų63.534%0.33634%0.337SS..Hα-helixtrans-60-40.9170.1164.40000111.9E344 L345 V346 S351 K352E344-S348 WeakPolarHBondContact O-CB 3.47Å; E344-S348 PolarHBondContact O-N 3.16Å; L345-S348 PolarHBondContact O-N 3.3Å; V346-S348 PolarHBondContact O-N 3.14Å; S348-S351 PolarHBondContact O-OG 3.47Å; S348-K352 WeakPolarHBondContact O-CG 3.42Å; S348-K352 PolarHBondContact O-N 3.04Å
349G94.5Very high92.8Very high43 Ų4365.1 Ų65.144%0.44334%0.335SS..Hα-helixtrans-63.8-45.8174.500000113L345 V346 T347 K352L345-G349 PolarHBondContact O-N 3.42Å; V346-G349 WeakPolarHBondContact O-CA 3.23Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.1Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 3.41Å; G349-K352 PolarHBondContact O-N 3.13Å
350L95.2Very high93Very high19 Ų1968.7 Ų68.710%0.09935%0.351CS..Hα-helixtrans-65.8-36.3177.6-68.8174.7000112.1L326 V346 T347 K352 N353 L356 K361 H364 I365L326-L350 HydrophobicContact CD1-CB 3.54Å; L326-L350 HydrophobicContact CD1-CD1 4.3Å; V346-L350 HydrophobicContact CG1-CD1 3.95Å; V346-L350 HydrophobicContact CG1-CG 4.35Å; V346-L350 WeakPolarHBondContact O-CG 3.45Å; V346-L350 PolarHBondContact O-N 3.24Å; T347-L350 PolarHBondContact O-N 3.38Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.27Å; L350-N353 PolarHBondContact O-N 2.99Å; L350-L356 HydrophobicContact CD2-CD1 4.07Å; L350-K361 HydrophobicContact CB-CD 4.38Å; L350-K361 HydrophobicContact CB-CG 4.29Å; L350-K361 HydrophobicContact CD1-CB 4.46Å; L350-K361 HydrophobicContact CD2-CG 4.4Å; L350-K361 VanDerWaalsContact O-CE 3.26Å; L350-K361 WeakPolarHBondContact O-CE 3.24Å; L350-K361 PolarHBondContact O-NZ 3.03Å; L350-H364 HydrophobicContact CD1-CB 4.13Å; L350-H364 HydrophobicContact CD2-CB 4.42Å; L350-I365 HydrophobicContact CD1-CD1 4.36Å; L350-I365 HydrophobicContact CD1-CG1 4Å
351S93.6Very high93.2Very high33 Ų3366.8 Ų66.823%0.23134%0.344CS..Hα-helixtrans-63.2-32.617874.10000112.9H323 T347 S348 N353H323-S351 WeakPolarHBondContact O-CA 3.38Å; T347-S351 WeakPolarHBondContact O-CB 3.32Å; T347-S351 PolarHBondContact O-N 3.08Å; S348-S351 PolarHBondContact O-OG 3.47Å; S351-N353 VanDerWaalsContact C-N 3.29Å; S351-N353 PolarHBondContact O-N 2.87Å
352K94.7Very high93.3Very high160 Ų16062.7 Ų62.770%0.69632%0.324SS*.THydrogen-bonded Turntrans-84-3.2179.9-67175.1-173.11780113.5S348 G349 L350 P354S348-K352 WeakPolarHBondContact O-CG 3.42Å; S348-K352 PolarHBondContact O-N 3.04Å; G349-K352 PolarHBondContact O-N 3.13Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.27Å; K352-P354 VanDerWaalsContact O-CD 3.29Å; K352-P354 WeakPolarHBondContact O-CD 3.45Å
353N94.4Very high93.4Very high47 Ų4763 Ų6325%0.25133%0.33SS..  trans-91.8114.6-177.3-166.2-19.3000111L350 S351 Y355 L356 K361L350-N353 PolarHBondContact O-N 2.99Å; S351-N353 VanDerWaalsContact C-N 3.29Å; S351-N353 PolarHBondContact O-N 2.87Å; N353-Y355 WeakPolarHBondContact OD1-CB 3.49Å; N353-Y355 WeakPolarHBondContact OD1-CD2 3.45Å; N353-Y355 PolarHBondContact OD1-N 3.48Å; N353-L356 HydrophobicContact CB-CD1 4.44Å; N353-L356 WeakPolarHBondContact ND2-CD1 3.4Å; N353-L356 WeakPolarHBondContact ND2-CG 3.38Å; N353-K361 PolarHBondContact O-NZ 3.47Å
354P92.3Very high93.5Very high111 Ų11167.2 Ų67.272%0.72135%0.35SS*.SBendtrans-85.1-10176.3-8.728.9000113.8K352K352-P354 VanDerWaalsContact O-CD 3.29Å; K352-P354 WeakPolarHBondContact O-CD 3.45Å
355Y91.8Very high93.5Very high207 Ų20763.1 Ų63.181%0.81233%0.331SS*.SBendtrans-92.8-7.6-173.1-54.3-69.6000113.7N353N353-Y355 WeakPolarHBondContact OD1-CB 3.49Å; N353-Y355 WeakPolarHBondContact OD1-CD2 3.45Å; N353-Y355 PolarHBondContact OD1-N 3.48Å
356L92.8Very high93.4Very high38 Ų3862.2 Ų62.220%0.19932%0.323CS..SBendtrans-111136.3-178.2-63.2177.7000110.3L350 N353 Q360 K361L350-L356 HydrophobicContact CD2-CD1 4.07Å; N353-L356 HydrophobicContact CB-CD1 4.44Å; N353-L356 WeakPolarHBondContact ND2-CD1 3.4Å; N353-L356 WeakPolarHBondContact ND2-CG 3.38Å; L356-Q360 HydrophobicContact CB-CB 4.38Å; L356-Q360 HydrophobicContact CD2-CB 4.39Å; L356-Q360 VanDerWaalsContact CD2-OE1 3.24Å; L356-K361 HydrophobicContact CB-CG 4.11Å; L356-K361 WeakPolarHBondContact O-CE 3.46Å
357S93.2Very high93.5Very high22 Ų2268.1 Ų68.115%0.15434%0.343CS..  trans-72.9162.2171.266.20000111.5D315 K359 Q360 K361D315-S357 WeakPolarHBondContact OD1-CA 3.45Å; D315-S357 WeakPolarHBondContact OD1-CB 3.35Å; S357-K359 VanDerWaalsContact C-N 3.26Å; S357-K359 PolarHBondContact O-N 2.69Å; S357-Q360 PolarHBondContact O-N 3.48Å; S357-Q360 WeakPolarHBondContact OG-CG 3.37Å; S357-K361 WeakPolarHBondContact O-CG 3.38Å; S357-K361 PolarHBondContact O-N 2.96Å; S357-K361 VanDerWaalsContact O-N 3.07Å
358V92.7Very high93.5Very high20 Ų2069.1 Ų69.112%0.12135%0.345CS..Hα-helixtrans-55.4-43.5176.5-179.50000111.4D322 H323 Q360 K361 V362D322-V358 HydrophobicContact CB-CG1 4.31Å; D322-V358 HydrophobicContact CB-CG2 4.04Å; H323-V358 VanDerWaalsContact CE1-CG2 3.4Å; H323-V358 WeakPolarHBondContact CE1-CG2 3.28Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 3.29Å; V358-K361 WeakPolarHBondContact O-CB 3.47Å; V358-K361 PolarHBondContact O-N 3.42Å; V358-K361 VanDerWaalsContact O-N 3.09Å; V358-V362 HydrophobicContact CG1-CG2 4.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 3.23Å
359K92.7Very high93.3Very high120 Ų12072.6 Ų72.652%0.52235%0.351SS..Hα-helixtrans-55.4-48.7178.1-67.7173.6-178.4159.40111.6D316 S357 K361 V362 D363D316-K359 IonicContact OD1-NZ 2.94Å; D316-K359 PolarHBondContact OD1-NZ 3.18Å; D316-K359 VanDerWaalsContact OD1-NZ 3.14Å; D316-K359 WeakPolarHBondContact OD2-CE 3.45Å; D316-K359 IonicContact OD2-NZ 2.9Å; D316-K359 PolarHBondContact OD2-NZ 2.99Å; S357-K359 VanDerWaalsContact C-N 3.26Å; S357-K359 PolarHBondContact O-N 2.69Å; K359-K361 VanDerWaalsContact C-N 3.32Å; K359-K361 PolarHBondContact O-N 3.35Å; K359-V362 PolarHBondContact O-N 3.42Å; K359-V362 VanDerWaalsContact O-N 3.16Å; K359-D363 PolarHBondContact O-N 3Å
360Q93.7Very high93.2Very high85 Ų8575 Ų7540%0.39735%0.354SS..Hα-helixtrans-62.7-39.3178.1-68.3171-14.900111.9L356 S357 V358 V362 D363 H364L356-Q360 HydrophobicContact CB-CB 4.38Å; L356-Q360 HydrophobicContact CD2-CB 4.39Å; L356-Q360 VanDerWaalsContact CD2-OE1 3.24Å; S357-Q360 PolarHBondContact O-N 3.48Å; S357-Q360 WeakPolarHBondContact OG-CG 3.37Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 3.29Å; Q360-V362 VanDerWaalsContact C-N 3.33Å; Q360-V362 PolarHBondContact O-N 3.04Å; Q360-D363 PolarHBondContact O-N 2.97Å; Q360-H364 PolarHBondContact O-CD2 3.07Å; Q360-H364 PolarHBondContact O-N 3.01Å
361K93.8Very high93.1Very high2 Ų278.9 Ų78.91%0.00937%0.368CS..Hα-helixtrans-63.6-40176.1-64.2179.3-169.3-160.60111.6H323 L326 L350 N353 L356 S357 V358 K359 H364 I365H323-K361 PolarHBondContact CD2-NZ 3.03Å; L326-K361 HydrophobicContact CD1-CB 4.29Å; L326-K361 HydrophobicContact CD1-CD 4.21Å; L326-K361 HydrophobicContact CD2-CB 4.25Å; L326-K361 HydrophobicContact CD2-CD 4.49Å; L350-K361 HydrophobicContact CB-CD 4.38Å; L350-K361 HydrophobicContact CB-CG 4.29Å; L350-K361 HydrophobicContact CD1-CB 4.46Å; L350-K361 HydrophobicContact CD2-CG 4.4Å; L350-K361 VanDerWaalsContact O-CE 3.26Å; L350-K361 WeakPolarHBondContact O-CE 3.24Å; L350-K361 PolarHBondContact O-NZ 3.03Å; N353-K361 PolarHBondContact O-NZ 3.47Å; L356-K361 HydrophobicContact CB-CG 4.11Å; L356-K361 WeakPolarHBondContact O-CE 3.46Å; S357-K361 WeakPolarHBondContact O-CG 3.38Å; S357-K361 PolarHBondContact O-N 2.96Å; S357-K361 VanDerWaalsContact O-N 3.07Å; V358-K361 WeakPolarHBondContact O-CB 3.47Å; V358-K361 PolarHBondContact O-N 3.42Å; V358-K361 VanDerWaalsContact O-N 3.09Å; K359-K361 VanDerWaalsContact C-N 3.32Å; K359-K361 PolarHBondContact O-N 3.35Å; K361-H364 PolarHBondContact O-N 3.04Å; K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 3.5Å
362V93.1Very high93Very high21 Ų2178.4 Ų78.413%0.12736%0.362CS..Hα-helixtrans-65.8-46.2175.8175.60000110.7H329 V358 K359 Q360 H364 I365 E366H329-V362 WeakPolarHBondContact NE2-CG2 3.47Å; V358-V362 HydrophobicContact CG1-CG2 4.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 3.23Å; K359-V362 PolarHBondContact O-N 3.42Å; K359-V362 VanDerWaalsContact O-N 3.16Å; Q360-V362 VanDerWaalsContact C-N 3.33Å; Q360-V362 PolarHBondContact O-N 3.04Å; V362-H364 PolarHBondContact O-N 3.28Å; V362-I365 WeakPolarHBondContact O-CA 3.46Å; V362-I365 WeakPolarHBondContact O-CB 3.29Å; V362-I365 PolarHBondContact O-N 3.41Å; V362-E366 HydrophobicContact CG1-CG 4.23Å; V362-E366 PolarHBondContact O-N 2.74Å
363D94.7Very high92.6Very high95 Ų9574 Ų7451%0.50835%0.346SS..Hα-helixtrans-56.3-39.8177.3-65.1-17.4000111.7K359 Q360 I365 E366 W367K359-D363 PolarHBondContact O-N 3Å; Q360-D363 PolarHBondContact O-N 2.97Å; D363-I365 PolarHBondContact O-N 3.23Å; D363-E366 PolarHBondContact O-N 2.89Å; D363-W367 WeakPolarHBondContact O-CB 3.38Å; D363-W367 PolarHBondContact O-N 3.02Å
364H94.3Very high92.5Very high88 Ų8878.6 Ų78.641%0.40737%0.366SS..Hα-helixtrans-61.5-41.6174.6-82.2-66.7000112.7L350 Q360 K361 V362 F368L350-H364 HydrophobicContact CD1-CB 4.13Å; L350-H364 HydrophobicContact CD2-CB 4.42Å; Q360-H364 PolarHBondContact O-CD2 3.07Å; Q360-H364 PolarHBondContact O-N 3.01Å; K361-H364 PolarHBondContact O-N 3.04Å; V362-H364 PolarHBondContact O-N 3.28Å; H364-F368 WeakPolarHBondContact O-CD2 3.32Å; H364-F368 PolarHBondContact O-N 3.03Å
365I92.4Very high92.4Very high4 Ų477 Ų772%0.02135%0.348CS..Hα-helixtrans-69.6-42.2179.2-64167.4000110.4L326 H329 F333 M343 T347 L350 K361 V362 D363 W367 F368 R369L326-I365 HydrophobicContact CB-CD1 4.14Å; L326-I365 HydrophobicContact CD1-CD1 4.45Å; H329-I365 HydrophobicContact CB-CD1 3.98Å; H329-I365 HydrophobicContact CB-CG2 4.15Å; F333-I365 HydrophobicContact CE2-CG2 3.82Å; F333-I365 HydrophobicContact CZ-CG2 4.28Å; M343-I365 HydrophobicContact CE-CG1 4.47Å; M343-I365 HydrophobicContact CE-CG2 3.99Å; T347-I365 HydrophobicContact CG2-CD1 4.03Å; T347-I365 HydrophobicContact CG2-CG1 4.5Å; L350-I365 HydrophobicContact CD1-CD1 4.36Å; L350-I365 HydrophobicContact CD1-CG1 4Å; K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 3.5Å; V362-I365 WeakPolarHBondContact O-CA 3.46Å; V362-I365 WeakPolarHBondContact O-CB 3.29Å; V362-I365 PolarHBondContact O-N 3.41Å; D363-I365 PolarHBondContact O-N 3.23Å; I365-W367 VanDerWaalsContact C-N 3.31Å; I365-W367 PolarHBondContact O-N 3.47Å; I365-F368 PolarHBondContact O-N 3.09Å; I365-R369 PolarHBondContact O-N 3.45Å
366E92.4Very high92Very high100 Ų10070.3 Ų70.347%0.46732%0.324SS..Hα-helixtrans-63.5-37.6176.4-70.3-172.7176.500112.1V362 D363 F368 R369 N370V362-E366 HydrophobicContact CG1-CG 4.23Å; V362-E366 PolarHBondContact O-N 2.74Å; D363-E366 PolarHBondContact O-N 2.89Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 3.21Å; E366-R369 WeakPolarHBondContact O-CB 3.25Å; E366-R369 PolarHBondContact O-N 3.42Å; E366-R369 VanDerWaalsContact O-N 3.16Å; E366-N370 PolarHBondContact O-N 3.04Å
367W95.3Very high91.7Very high151 Ų15173.9 Ų73.957%0.57234%0.343SS*.Hα-helixtrans-58.9-45.2173.3-177.886.4000111.9D363 I365 R369 N370 Y371D363-W367 WeakPolarHBondContact O-CB 3.38Å; D363-W367 PolarHBondContact O-N 3.02Å; I365-W367 VanDerWaalsContact C-N 3.31Å; I365-W367 PolarHBondContact O-N 3.47Å; W367-R369 VanDerWaalsContact C-N 3.31Å; W367-R369 PolarHBondContact O-N 3.02Å; W367-N370 PolarHBondContact O-N 3.35Å; W367-Y371 HydrophobicContact CH2-CD2 4.21Å; W367-Y371 HydrophobicContact CH2-CG 4.4Å; W367-Y371 HydrophobicContact CZ2-CD2 4.39Å; W367-Y371 WeakPolarHBondContact O-CB 3.24Å; W367-Y371 PolarHBondContact O-N 2.7Å
368F92.1Very high91.5Very high37 Ų3776.9 Ų76.916%0.16236%0.356CS..Hα-helixtrans-62.3-39.7175-79.6-67.7000112.1F333 F342 M343 V346 H364 I365 E366 N370 Y371 F372F333-F368 HydrophobicContact CE1-CB 4.49Å; F333-F368 HydrophobicContact CZ-CB 4.29Å; F342-F368 AromaticContact CE1-CD1 3.82Å; F342-F368 HydrophobicContact CE1-CD1 3.82Å; F342-F368 AromaticContact CE1-CE1 3.52Å; F342-F368 HydrophobicContact CE1-CE1 3.52Å; F342-F368 HydrophobicContact CE1-CZ 4.03Å; F342-F368 HydrophobicContact CZ-CD1 4.43Å; F342-F368 AromaticContact CZ-CE1 3.68Å; F342-F368 HydrophobicContact CZ-CE1 3.68Å; F342-F368 AromaticContact CZ-CZ 4Å; F342-F368 HydrophobicContact CZ-CZ 4Å; M343-F368 HydrophobicContact CE-CB 4.14Å; M343-F368 HydrophobicContact CE-CD2 4.31Å; M343-F368 HydrophobicContact CE-CG 4.45Å; M343-F368 HydrophobicContact SD-CB 3.85Å; M343-F368 HydrophobicContact SD-CD2 4.25Å; M343-F368 HydrophobicContact SD-CG 3.98Å; V346-F368 HydrophobicContact CG1-CD2 4.14Å; V346-F368 HydrophobicContact CG1-CE2 3.73Å; V346-F368 HydrophobicContact CG2-CE2 4.06Å; V346-F368 HydrophobicContact CG2-CZ 4.17Å; H364-F368 WeakPolarHBondContact O-CD2 3.32Å; H364-F368 PolarHBondContact O-N 3.03Å; I365-F368 PolarHBondContact O-N 3.09Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 3.21Å; F368-N370 PolarHBondContact O-N 3.49Å; F368-Y371 PolarHBondContact O-N 2.84Å; F368-F372 HydrophobicContact CB-CD2 4.42Å; F368-F372 HydrophobicContact CB-CE2 4.16Å; F368-F372 HydrophobicContact CD1-CE2 4.3Å; F368-F372 WeakPolarHBondContact O-CD2 3.38Å; F368-F372 PolarHBondContact O-N 3.35Å
369R89.8Confident91.1Very high122 Ų12277.2 Ų77.246%0.4636%0.357SS..Hα-helixtrans-59.2-47.5176.7-172.2-177.3179.6-169.6-0.8111.2F333 I365 E366 W367 F372 N373F333-R369 HydrophobicContact CE2-CB 4.39Å; F333-R369 HydrophobicContact CZ-CB 3.93Å; I365-R369 PolarHBondContact O-N 3.45Å; E366-R369 WeakPolarHBondContact O-CB 3.25Å; E366-R369 PolarHBondContact O-N 3.42Å; E366-R369 VanDerWaalsContact O-N 3.16Å; W367-R369 VanDerWaalsContact C-N 3.31Å; W367-R369 PolarHBondContact O-N 3.02Å; R369-F372 PolarHBondContact O-N 3.33Å; R369-N373 VanDerWaalsContact O-CG 3.31Å; R369-N373 PolarHBondContact O-N 3.29Å; R369-N373 VanDerWaalsContact O-N 3.09Å; R369-N373 PolarHBondContact O-ND2 3.12Å
370N92.7Very high90.6Very high92 Ų9278.1 Ų78.149%0.49236%0.361SS..Hα-helixtrans-64.4-41.6177.4-67.4-15000111.4E366 W367 F368 F372 N373 E374E366-N370 PolarHBondContact O-N 3.04Å; W367-N370 PolarHBondContact O-N 3.35Å; F368-N370 PolarHBondContact O-N 3.49Å; N370-F372 PolarHBondContact O-N 3.07Å; N370-N373 WeakPolarHBondContact O-CB 3.45Å; N370-N373 PolarHBondContact O-N 3.42Å; N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.48Å
371Y93Very high90.2Very high102 Ų10281.4 Ų81.440%0.438%0.376SS..Hα-helixtrans-59.9-46.1177.2179.8-96.6000112.8W367 F368 N373 E374 K375W367-Y371 HydrophobicContact CH2-CD2 4.21Å; W367-Y371 HydrophobicContact CH2-CG 4.4Å; W367-Y371 HydrophobicContact CZ2-CD2 4.39Å; W367-Y371 WeakPolarHBondContact O-CB 3.24Å; W367-Y371 PolarHBondContact O-N 2.7Å; F368-Y371 PolarHBondContact O-N 2.84Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.45Å; Y371-E374 PolarHBondContact O-N 3.19Å; Y371-K375 HydrophobicContact CE1-CG 4.22Å; Y371-K375 HydrophobicContact CE2-CG 4.22Å; Y371-K375 WeakPolarHBondContact O-CG 3.49Å; Y371-K375 PolarHBondContact O-N 3.5Å; Y371-K375 VanDerWaalsContact O-N 3.11Å
372F90.4Very high89.6Confident23 Ų2386.5 Ų86.510%0.10140%0.404CS..Hα-helixtrans-67.8-33.5177.4-69.9-59.5000112.5F333 I339 F342 M343 F368 R369 N370 K375 Q376 L379 F386F333-F372 HydrophobicContact CD1-CD2 4.45Å; F333-F372 AromaticContact CE1-CD2 3.8Å; F333-F372 HydrophobicContact CE1-CD2 3.8Å; F333-F372 HydrophobicContact CE1-CE2 4.04Å; I339-F372 HydrophobicContact CD1-CD1 4.44Å; I339-F372 HydrophobicContact CG1-CE1 4.48Å; I339-F372 HydrophobicContact CG2-CD2 4.29Å; I339-F372 HydrophobicContact CG2-CE2 3.98Å; I339-F372 HydrophobicContact CG2-CZ 4.14Å; F342-F372 HydrophobicContact CD1-CZ 4.13Å; F342-F372 HydrophobicContact CE1-CZ 4.29Å; M343-F372 HydrophobicContact SD-CE2 4.21Å; F368-F372 HydrophobicContact CB-CD2 4.42Å; F368-F372 HydrophobicContact CB-CE2 4.16Å; F368-F372 HydrophobicContact CD1-CE2 4.3Å; F368-F372 WeakPolarHBondContact O-CD2 3.38Å; F368-F372 PolarHBondContact O-N 3.35Å; R369-F372 PolarHBondContact O-N 3.33Å; N370-F372 PolarHBondContact O-N 3.07Å; F372-K375 CarbonylContact O-C 3.53Å; F372-K375 PolarHBondContact O-N 3.07Å; F372-Q376 WeakPolarHBondContact O-CG 3.3Å; F372-Q376 PolarHBondContact O-N 3.17Å; F372-L379 HydrophobicContact CB-CD1 4.3Å; F372-L379 HydrophobicContact CD1-CD1 4.11Å; F372-F386 HydrophobicContact CB-CD1 4.48Å; F372-F386 HydrophobicContact CB-CD2 4.06Å; F372-F386 HydrophobicContact CB-CE1 4.18Å; F372-F386 HydrophobicContact CB-CE2 3.71Å; F372-F386 HydrophobicContact CB-CG 4.42Å; F372-F386 HydrophobicContact CB-CZ 3.77Å; F372-F386 HydrophobicContact CD2-CE2 4.15Å; F372-F386 HydrophobicContact CG-CD2 4.5Å; F372-F386 HydrophobicContact CG-CE2 4.11Å
373N87.4Confident88.9Confident68 Ų6894.9 Ų94.936%0.36444%0.439SS..Hα-helixtrans-63-40.7172.9-75.9-28.7000112.4R369 N370 Y371 K375 Q376 F386R369-N373 VanDerWaalsContact O-CG 3.31Å; R369-N373 PolarHBondContact O-N 3.29Å; R369-N373 VanDerWaalsContact O-N 3.09Å; R369-N373 PolarHBondContact O-ND2 3.12Å; N370-N373 WeakPolarHBondContact O-CB 3.45Å; N370-N373 PolarHBondContact O-N 3.42Å; Y371-N373 VanDerWaalsContact C-N 3.32Å; Y371-N373 PolarHBondContact O-N 3.45Å; N373-K375 VanDerWaalsContact C-N 3.31Å; N373-K375 PolarHBondContact O-N 2.85Å; N373-Q376 WeakPolarHBondContact O-CG 3.11Å; N373-Q376 PolarHBondContact OD1-NE2 3.45Å; N373-F386 VanDerWaalsContact OD1-CE1 3.25Å; N373-F386 WeakPolarHBondContact OD1-CE1 3.44Å
374E91.5Very high87.9Confident142 Ų14291.8 Ų91.866%0.66442%0.423SS*.Hα-helixtrans-69.5-27.2175.5-71.3-178.1-174.100113.3N370 Y371N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.48Å; Y371-E374 PolarHBondContact O-N 3.19Å
375K90.7Very high86.7Confident79 Ų7995.5 Ų95.534%0.34344%0.441SS..THydrogen-bonded Turntrans-103.319.2-176.3-56.9-53.9176.4-164.30114Y371 F372 N373 D377 I378 L379Y371-K375 HydrophobicContact CE1-CG 4.22Å; Y371-K375 HydrophobicContact CE2-CG 4.22Å; Y371-K375 WeakPolarHBondContact O-CG 3.49Å; Y371-K375 PolarHBondContact O-N 3.5Å; Y371-K375 VanDerWaalsContact O-N 3.11Å; F372-K375 CarbonylContact O-C 3.53Å; F372-K375 PolarHBondContact O-N 3.07Å; N373-K375 VanDerWaalsContact C-N 3.31Å; N373-K375 PolarHBondContact O-N 2.85Å; K375-D377 PolarHBondContact O-N 3.24Å; K375-I378 HydrophobicContact CB-CD1 4.37Å; K375-I378 HydrophobicContact CD-CD1 3.94Å; K375-I378 PolarHBondContact O-N 2.83Å; K375-I378 VanDerWaalsContact O-N 3.1Å; K375-L379 WeakPolarHBondContact O-CG 3.33Å; K375-L379 PolarHBondContact O-N 3.4Å; K375-L379 VanDerWaalsContact O-N 3.16Å
376Q83Confident85.5Confident66 Ų6696.2 Ų96.231%0.30844%0.444SS..Hα-helixtrans-55.4-34.9-179.9-76.1-175.9500113.8F372 N373 I378 L379 K380F372-Q376 WeakPolarHBondContact O-CG 3.3Å; F372-Q376 PolarHBondContact O-N 3.17Å; N373-Q376 WeakPolarHBondContact O-CG 3.11Å; N373-Q376 PolarHBondContact OD1-NE2 3.45Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.27Å; Q376-L379 PolarHBondContact O-N 3.39Å; Q376-K380 WeakPolarHBondContact O-CG 3.21Å; Q376-K380 PolarHBondContact O-N 3.17Å
377D87Confident83.9Confident113 Ų11399.4 Ų99.460%0.60447%0.47SS*.Hα-helixtrans-62.7-42179-62.9-29000111.7K375 L379 K380 E381K375-D377 PolarHBondContact O-N 3.24Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.17Å; D377-K380 PolarHBondContact O-N 3.07Å; D377-E381 WeakPolarHBondContact O-CG 3.23Å; D377-E381 PolarHBondContact O-N 3.28Å; D377-E381 VanDerWaalsContact O-N 3.08Å
378I89.7Confident83.3Confident85 Ų8596.8 Ų96.844%0.43647%0.465SS..Hα-helixtrans-67.6-36.7176.6-52.8178.8000110.5K375 Q376 E381 N382K375-I378 HydrophobicContact CB-CD1 4.37Å; K375-I378 HydrophobicContact CD-CD1 3.94Å; K375-I378 PolarHBondContact O-N 2.83Å; K375-I378 VanDerWaalsContact O-N 3.1Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.27Å; I378-E381 PolarHBondContact O-N 3.16Å; I378-N382 PolarHBondContact O-N 3.19Å; I378-N382 PolarHBondContact O-ND2 3.48Å
379L83.8Confident82.9Confident26 Ų2699.9 Ų99.914%0.13648%0.481CS..Hα-helixtrans-67.1-40.2178.1-63.1175.3000111.4I339 F372 K375 Q376 D377 N382 K383 V384 F386I339-L379 HydrophobicContact CD1-CD1 4.1Å; I339-L379 HydrophobicContact CD1-CD2 4.18Å; F372-L379 HydrophobicContact CB-CD1 4.3Å; F372-L379 HydrophobicContact CD1-CD1 4.11Å; K375-L379 WeakPolarHBondContact O-CG 3.33Å; K375-L379 PolarHBondContact O-N 3.4Å; K375-L379 VanDerWaalsContact O-N 3.16Å; Q376-L379 PolarHBondContact O-N 3.39Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.17Å; L379-N382 CarbonylContact O-C 3.39Å; L379-N382 PolarHBondContact O-N 3.11Å; L379-K383 PolarHBondContact O-N 3.36Å; L379-V384 CarbonylContact C-O 3.49Å; L379-V384 PolarHBondContact O-N 3.07Å; L379-F386 HydrophobicContact CD1-CB 3.9Å; L379-F386 HydrophobicContact CD1-CG 4.34Å
380K82.6Confident82.5Confident140 Ų14098.7 Ų98.761%0.60948%0.482SS*.Hα-helixtrans-62.2-42.8174-72.4171.8-174.6167.60112Q376 D377 N382 K383Q376-K380 WeakPolarHBondContact O-CG 3.21Å; Q376-K380 PolarHBondContact O-N 3.17Å; D377-K380 PolarHBondContact O-N 3.07Å; K380-N382 PolarHBondContact O-N 3.2Å; K380-K383 PolarHBondContact O-N 3.34Å; K380-K383 VanDerWaalsContact O-N 3.13Å
381E85.6Confident81.9Confident153 Ų15399.1 Ų99.172%0.71548%0.481SS*.Hα-helixtrans-58.5-35.9174.6-73.1175.9-175.600112.3D377 I378 K383D377-E381 WeakPolarHBondContact O-CG 3.23Å; D377-E381 PolarHBondContact O-N 3.28Å; D377-E381 VanDerWaalsContact O-N 3.08Å; I378-E381 PolarHBondContact O-N 3.16Å; E381-K383 VanDerWaalsContact C-N 3.33Å; E381-K383 PolarHBondContact O-N 3.34Å
382N80.4Confident81.2Confident109 Ų10998.9 Ų98.958%0.58349%0.486SS*.THydrogen-bonded Turntrans-89.49.8-179.8-72.9-80.5000114I378 L379 K380 V384I378-N382 PolarHBondContact O-N 3.19Å; I378-N382 PolarHBondContact O-ND2 3.48Å; L379-N382 CarbonylContact O-C 3.39Å; L379-N382 PolarHBondContact O-N 3.11Å; K380-N382 PolarHBondContact O-N 3.2Å; N382-V384 PolarHBondContact O-N 2.92Å
383K77.3Confident80.6Confident198 Ų198104 Ų10486%0.86151%0.512SS*.THydrogen-bonded Turntrans57.931.9-178.3-52.2177.8-179.4178.70113.8L379 K380 E381L379-K383 PolarHBondContact O-N 3.36Å; K380-K383 PolarHBondContact O-N 3.34Å; K380-K383 VanDerWaalsContact O-N 3.13Å; E381-K383 VanDerWaalsContact C-N 3.33Å; E381-K383 PolarHBondContact O-N 3.34Å
384V73.9Confident80.1Confident30 Ų30106.6 Ų106.618%0.18252%0.523CS..  trans-107.6112173.2-176.80000108.1I339 L379 N382I339-V384 HydrophobicContact CD1-CG1 3.59Å; I339-V384 HydrophobicContact CG1-CG1 3.99Å; L379-V384 CarbonylContact C-O 3.49Å; L379-V384 PolarHBondContact O-N 3.07Å; N382-V384 PolarHBondContact O-N 2.92Å
385E69.1Low79.2Confident165 Ų165103.8 Ų103.877%0.77151%0.512SS*.  trans-83.3121.7176.7-67.5-179.3-177.300110
386F67.6Low78.3Confident20 Ų20105.9 Ų105.99%0.08853%0.526CS..  trans-111.6102.1171.3-169.9-89.9000106.9F333 P334 I339 F372 N373 L379F333-F386 AromaticContact CD1-CE2 3.77Å; F333-F386 HydrophobicContact CD1-CE2 3.77Å; F333-F386 HydrophobicContact CD1-CZ 4.18Å; F333-F386 HydrophobicContact CE1-CE2 4.27Å; F333-F386 HydrophobicContact CE1-CZ 4.44Å; P334-F386 HydrophobicContact CG-CD2 4.1Å; I339-F386 HydrophobicContact CD1-CB 4.43Å; I339-F386 HydrophobicContact CD1-CD2 3.68Å; I339-F386 HydrophobicContact CD1-CE2 4.48Å; I339-F386 HydrophobicContact CG2-CD2 4.33Å; I339-F386 HydrophobicContact CG2-CE2 4.19Å; F372-F386 HydrophobicContact CB-CD1 4.48Å; F372-F386 HydrophobicContact CB-CD2 4.06Å; F372-F386 HydrophobicContact CB-CE1 4.18Å; F372-F386 HydrophobicContact CB-CE2 3.71Å; F372-F386 HydrophobicContact CB-CG 4.42Å; F372-F386 HydrophobicContact CB-CZ 3.77Å; F372-F386 HydrophobicContact CD2-CE2 4.15Å; F372-F386 HydrophobicContact CG-CD2 4.5Å; F372-F386 HydrophobicContact CG-CE2 4.11Å; N373-F386 VanDerWaalsContact OD1-CE1 3.25Å; N373-F386 WeakPolarHBondContact OD1-CE1 3.44Å; L379-F386 HydrophobicContact CD1-CB 3.9Å; L379-F386 HydrophobicContact CD1-CG 4.34Å
387T59.2Low77.8Confident166 Ų166109.5 Ų109.5100%1.01855%0.546SS*.  trans-126.20174.847.80000110.5

Retrieved 387 of 387 residues in 140.8 ms (Link to these results)