A0A3B5R2W5_XIPMA Loading...

Nascent polypeptide associated complex subunit alpha

AlphaFold DB , UniProt , Accession A0A3B5R2W5, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 215 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low49.7Very low242 Ų242140.3 Ų140.3100%1.19284%0.835SS**  0142.40-74.1-179158.800107.9
2P56Low49.5Very low129 Ų129139.3 Ų139.384%0.83883%0.831SS**  cis-88.4-173.7-14.47.615000110.1
3G44.7Very low49.7Very low73 Ų73142.2 Ų142.275%0.75383%0.83SS**  cis121.1110.6-4.200000113.1
4E52.7Low49.1Very low204 Ų204144.4 Ų144.495%0.95383%0.829SS**  trans-152.2148.9156.9-154.5163.5108.900109.4
5A57.6Low48.6Very low90 Ų90147.7 Ų147.774%0.74483%0.834SS**  trans-141.9143.7-167.300000112.6
6T54.1Low48.1Very low140 Ų140148.4 Ų148.486%0.85983%0.831SS**  trans-158.6117.7164.135.60000104.5
7E47.4Very low47.6Very low176 Ų176149.2 Ų149.282%0.82283%0.827SS**  cis76.1130.734.6-148-172.784.100115.3
8T41Very low47.4Very low118 Ų118150.7 Ų150.772%0.72483%0.826SS**  trans74.3138.2177.971.90000115.8
9V51.8Low47.3Very low131 Ų131149.5 Ų149.579%0.79483%0.827SS**  cis-149.9164.63.5-114.10000109.7
10P47.8Very low46.9Very low116 Ų116151.1 Ų151.175%0.75383%0.828SS**PPolyproline II helixtrans-84.9149.5-168.834.4-34.8000114.6
11V44.1Very low46.7Very low124 Ų124148.8 Ų148.875%0.75283%0.829SS**PPolyproline II helixtrans-85.1121.3164.8168.50000109.4
12T47.5Very low46.4Very low128 Ų128146.3 Ų146.379%0.78581%0.814SS**PPolyproline II helixtrans-85.9120.4162.6-62.10000108.4
13E52.4Low45.8Very low177 Ų177147.2 Ų147.283%0.82782%0.818SS**  trans-132.3139.2161.6-108.5174.99600110.5
14Q40.2Very low45.4Very low174 Ų174147.7 Ų147.781%0.81382%0.822SS**  trans-84.8117.6-171.1-67.8163.7-99.100110.7M16Q14-M16 PolarHBondContact O-N 2.59Å
15E42.2Very low45.1Very low194 Ų194144 Ų14491%0.90782%0.819SS**  trans-71.5106.3158-78.9-166.683.200109.4
16M40.1Very low44.2Very low158 Ų158142.9 Ų142.978%0.77882%0.816SS**PPolyproline II helixtrans-88.5138.3172.9-174.2164.8-81.300110.6Q14Q14-M16 PolarHBondContact O-N 2.59Å
17Q39.6Very low43.9Very low162 Ų162142.3 Ų142.376%0.75781%0.813SS**PPolyproline II helixtrans-46.5138.8-166.1-8661.535.300117.4
18Q44Very low43.5Very low176 Ų176142.7 Ų142.782%0.82282%0.815SS**PPolyproline II helixtrans-66.3138.9148.7-61173.424.500110
19P46.1Very low43.9Very low129 Ų129142.4 Ų142.484%0.83882%0.817SS**PPolyproline II helixtrans-82.3120.5162.330.8-28.8000110.2
20Q38.5Very low43.5Very low181 Ų181143.5 Ų143.585%0.84682%0.819SS**PPolyproline II helixtrans-69.4150.6170.1-69.3174.7-59.900110.9
21A42.9Very low43.5Very low103 Ų103143 Ų14385%0.85182%0.818SS**PPolyproline II helixtrans-89.9127.2165.300000109.5
22E44.5Very low43.6Very low190 Ų190144.3 Ų144.389%0.88882%0.821SS**  trans-131.2145160.9-76.6-152.8100.700111
23T41.8Very low43.6Very low147 Ų147143.8 Ų143.890%0.90281%0.813SS**  trans-91127.5-173.6490000111.4
24G37.8Very low43.2Very low83 Ų83140.6 Ų140.686%0.85681%0.81SS**  trans-123113.2171.800000111.6
25S46.2Very low43.9Very low127 Ų127138.2 Ų138.289%0.88881%0.808SS**  trans-87.7134.4171.1170.10000110
26G38.6Very low44.2Very low66 Ų66134.6 Ų134.668%0.6880%0.801SS**  trans-169.5125.9174.800000111.6
27T47.1Very low44.2Very low128 Ų128134.8 Ų134.879%0.78580%0.8SS**  trans-110.2108.2-173.445.90000111.2
28E40Very low44.5Very low184 Ų184135 Ų13586%0.8681%0.805SS**  trans-125.4117.5163.5-35.6-63.2130.500108.1
29S49.5Very low44.2Very low112 Ų112135 Ų13578%0.78381%0.805SS**  trans-96.5126170.5171.40000107.7
30D43.3Very low44.1Very low154 Ų154137.6 Ų137.682%0.82481%0.806SS**  trans-139135.2158.2-153.3-119.7000109.5
31S47.8Very low43.9Very low105 Ų105138.4 Ų138.473%0.73481%0.81SS**  trans-133.3107.1-177.5-690000108.2
32D45.4Very low43.5Very low153 Ų153140.2 Ų140.282%0.81881%0.805SS**  trans-159.4144.1169.1-141.257.3000103.3
33D47.9Very low43.2Very low116 Ų116136.8 Ų136.862%0.6280%0.803SS**  cis178.7137-10.9163-105.2000101.2
34S44.1Very low43.2Very low110 Ų110133.4 Ų133.477%0.76979%0.79SS**  trans17067.9165.2-83.40000108.4P36S34-P36 WeakPolarHBondContact O-CD 3.05Å
35V54.3Low43.3Very low124 Ų124138.4 Ų138.475%0.75279%0.791SS**  trans-84.9120.8166.5-173.60000107.5E37V35-E37 PolarHBondContact O-N 2.85Å
36P47.8Very low43Very low119 Ų119139.4 Ų139.477%0.77379%0.792SS**  trans-70.9104.5169.5-17.732.9000109.3S34 L38S34-P36 WeakPolarHBondContact O-CD 3.05Å; P36-L38 PolarHBondContact O-N 3.5Å
37E41.8Very low43.1Very low161 Ų161144.4 Ų144.475%0.75280%0.798SS**  trans-57.4121.7169.1-175.4174.982.700110.3V35V35-E37 PolarHBondContact O-N 2.85Å
38L45.3Very low42.9Very low166 Ų166144.2 Ų144.287%0.86980%0.796SS**  trans-137.587.5165.5-77.1178.5000107.4P36P36-L38 PolarHBondContact O-N 3.5Å
39E37.5Very low43.2Very low176 Ų176144.1 Ų144.182%0.82280%0.796SS**  trans-60.8148.1171-81.9-171.298.400111.8
40E42.9Very low42.9Very low184 Ų184148.2 Ų148.286%0.8680%0.802SS**  trans-74.2144.5-178.3-64.7151.47500111.8
41Q36.3Very low43Very low199 Ų199145.2 Ų145.293%0.9380%0.799SS**  trans-124.8108148.1-79.1-160.2-32.600110.2
42D34.3Very low43Very low140 Ų140148.6 Ų148.675%0.74980%0.803SS**  trans-63.3139168.9-178.4-93.6000111.1
43S37.1Very low42.9Very low119 Ų119149.7 Ų149.783%0.83281%0.808SS**  trans-163.985.2157-81.30000109
44A41.9Very low42.4Very low76 Ų76149 Ų14963%0.62882%0.819SS**  trans-70.2157.4172.900000112.5
45Q41.4Very low42.4Very low187 Ų187149 Ų14987%0.87483%0.825SS**  trans75.991.3167-51.9-176.1-4.800118.6
46T37.8Very low42Very low149 Ų149147.8 Ų147.891%0.91483%0.829SS**  -141.4132.3125.9-43.80000111.4
47Q41.8Very low41.7Very low171 Ų171146.5 Ų146.580%0.79983%0.828SS**  trans-69.3144.2-171.9-61.8162-40.200114.3
48T42.7Very low41.9Very low124 Ų124148.1 Ų148.176%0.76184%0.836SS**  trans52.9143.9141.7500000122.2
49Q45.7Very low42.1Very low181 Ų181147.3 Ų147.385%0.84683%0.83SS**  trans83.979.6166-56.5175.950.900117.5
50Q44.1Very low42.3Very low198 Ų198145.4 Ų145.493%0.92583%0.826SS**  -153.469.6129.5-116.1168.93900112
51A45.8Very low42.5Very low91 Ų91144.9 Ų144.975%0.75282%0.823SS**  trans-91.289162.400000109
52Q47.1Very low43.1Very low176 Ų176142.3 Ų142.382%0.82281%0.812SS**  trans178.6154.5156.7-98.4149.847.500110.4
53L43.4Very low43.8Very low176 Ų176141 Ų14192%0.92181%0.811SS**SBendtrans73.860.8179.8-60.2114.3000118
54A37.6Very low44.4Very low103 Ų103139.1 Ų139.185%0.85179%0.794SS**  trans-145.338.6151.100000112.4A56A54-A56 PolarHBondContact O-N 3.25Å
55A44.7Very low44.9Very low109 Ų109139.8 Ų139.890%0.90179%0.794SS**  trans-93.870.7178.400000111.1
56A45.2Very low45.7Very low99 Ų99139.6 Ų139.682%0.81879%0.79SS**  trans-160.550.5175.600000112.3A54A54-A56 PolarHBondContact O-N 3.25Å
57A40.9Very low46.9Very low92 Ų92136.8 Ų136.876%0.7678%0.782SS**  trans-148.647.3172.200000111.2I59A57-I59 VanDerWaalsContact C-N 3.27Å; A57-I59 PolarHBondContact O-N 3.03Å
58E45.7Very low48Very low195 Ų195138.3 Ų138.391%0.91179%0.786SS**  trans-6987.7167.4-70.9-177.1114.800109.5
59I49.4Very low49.7Very low148 Ų148135.2 Ų135.276%0.75976%0.763SS**  trans-112.278.6149.1-53.2-178.9000105.7A57 E61A57-I59 VanDerWaalsContact C-N 3.27Å; A57-I59 PolarHBondContact O-N 3.03Å; I59-E61 HydrophobicContact CG2-CG 3.94Å; I59-E61 PolarHBondContact O-N 2.99Å
60D42Very low51.7Low137 Ų137129.5 Ų129.573%0.73374%0.743SS**  trans-69.979163.2-163-107.7000107.4E62D60-E62 PolarHBondContact O-N 3.36Å
61E48.1Very low53.9Low172 Ų172131 Ų13180%0.80474%0.74SS**  trans-68.292.1160.8-88.2-12912000107I59I59-E61 HydrophobicContact CG2-CG 3.94Å; I59-E61 PolarHBondContact O-N 2.99Å
62E48.7Very low56Low146 Ų146130.7 Ų130.768%0.68273%0.732SS**  trans-38.7135.9170.3-71.6-169.495.100109.7D60 V64D60-E62 PolarHBondContact O-N 3.36Å; E62-V64 PolarHBondContact O-N 2.64Å
63P48.3Very low58.1Low112 Ų112124.6 Ų124.673%0.72770%0.704SS**  trans-72.676.7176.530.8-34.6000109.4S65P63-S65 VanDerWaalsContact C-N 3.28Å; P63-S65 PolarHBondContact O-N 3.13Å
64V50.3Low60.4Low80 Ų80122 Ų12249%0.48569%0.685SS.*  trans-58.695.6173.1-169.70000107.2E62 K66 K108E62-V64 PolarHBondContact O-N 2.64Å; V64-K66 PolarHBondContact O-N 2.88Å; V64-K108 HydrophobicContact CG1-CB 4.27Å; V64-K108 HydrophobicContact CG1-CD 3.82Å; V64-K108 HydrophobicContact CG1-CG 4.41Å
65S53.3Low63.1Low89 Ų89125 Ų12562%0.62268%0.679SS**  trans-1.286-178.453.20000113.3P63 A67P63-S65 VanDerWaalsContact C-N 3.28Å; P63-S65 PolarHBondContact O-N 3.13Å; S65-A67 PolarHBondContact O-N 3.12Å
66K57.9Low65.4Low183 Ų183121.1 Ų121.180%0.79665%0.647SS**  trans-68.863.9172.3-73.6170.1180154.50109.3V64 K68V64-K66 PolarHBondContact O-N 2.88Å; K66-K68 WeakPolarHBondContact O-CA 3.31Å; K66-K68 PolarHBondContact O-N 3.45Å
67A61.7Low67.6Low90 Ų90119.6 Ų119.674%0.74462%0.62SS**  trans-49.4113.8163.600000106S65 Q69S65-A67 PolarHBondContact O-N 3.12Å; A67-Q69 PolarHBondContact O-N 3.41Å
68K66.3Low70.1Confident204 Ų204122.5 Ų122.589%0.88762%0.615SS**  trans-3690.5-150.6-164.9168.9-174.7172.40113.7K66 S70K66-K68 WeakPolarHBondContact O-CA 3.31Å; K66-K68 PolarHBondContact O-N 3.45Å; K68-S70 PolarHBondContact O-N 3.34Å
69Q77Confident72.5Confident59 Ų59115.6 Ų115.628%0.27659%0.592SS.*  trans-52.6118.7-175.3172.8174.451.600109.6A67 E73 K74A67-Q69 PolarHBondContact O-N 3.41Å; Q69-E73 HydrophobicContact CG-CB 4.17Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.36Å; Q69-E73 PolarHBondContact NE2-OE1 2.84Å; Q69-K74 HydrophobicContact CG-CB 4.19Å
70S88.4Confident74.6Confident60 Ų60110.7 Ų110.742%0.4257%0.566SS.*  trans-63.6149.1-178.4-178.50000111.5K68 S72 E73 K74K68-S70 PolarHBondContact O-N 3.34Å; S70-S72 PolarHBondContact O-N 3.25Å; S70-S72 PolarHBondContact OG-N 3.36Å; S70-S72 PolarHBondContact OG-OG 3.12Å; S70-E73 PolarHBondContact O-N 3.4Å; S70-E73 VanDerWaalsContact O-N 3.07Å; S70-K74 PolarHBondContact O-N 2.81Å
71R90.4Very high76.9Confident231 Ų231107.2 Ų107.287%0.87255%0.553SS**Hα-helixtrans-57.2-33.2173.6-169.6178.6-176.9-177.91.6111.5K75R71-K75 WeakPolarHBondContact O-CB 3.31Å; R71-K75 PolarHBondContact O-N 2.67Å
72S90.6Very high79.1Confident83 Ų83108.3 Ų108.358%0.5856%0.555SS**Hα-helixtrans-67-45.9174.154.50000111.9S70 K75 A76S70-S72 PolarHBondContact O-N 3.25Å; S70-S72 PolarHBondContact OG-N 3.36Å; S70-S72 PolarHBondContact OG-OG 3.12Å; S72-K75 WeakPolarHBondContact O-CB 3.29Å; S72-K75 PolarHBondContact O-N 2.93Å; S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.09Å
73E90.1Very high81.3Confident49 Ų49108 Ų10823%0.22956%0.557CS.*Hα-helixtrans-64.4-43.1178.5-164.6-164.197.600111.8Q69 S70 K75 A76 R77 F123Q69-E73 HydrophobicContact CG-CB 4.17Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.36Å; Q69-E73 PolarHBondContact NE2-OE1 2.84Å; S70-E73 PolarHBondContact O-N 3.4Å; S70-E73 VanDerWaalsContact O-N 3.07Å; E73-K75 VanDerWaalsContact C-N 3.25Å; E73-K75 PolarHBondContact O-N 3.29Å; E73-A76 PolarHBondContact O-N 2.75Å; E73-A76 VanDerWaalsContact O-N 3.14Å; E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 PolarHBondContact O-N 3.03Å; E73-R77 IonicContact OE1-CZ 3.94Å; E73-R77 IonicContact OE1-NH2 3.13Å; E73-R77 PolarHBondContact OE1-NH2 3.48Å; E73-F123 HydrophobicContact CG-CD1 3.68Å; E73-F123 HydrophobicContact CG-CE1 4.2Å; E73-F123 HydrophobicContact CG-CG 4.31Å
74K91.1Very high83.4Confident122 Ų122104.7 Ų104.753%0.5354%0.543SS..Hα-helixtrans-62.5-33.1176.3-162.5169.1-170.1171.90112.3Q69 S70 K78Q69-K74 HydrophobicContact CG-CB 4.19Å; S70-K74 PolarHBondContact O-N 2.81Å; K74-K78 WeakPolarHBondContact O-CG 3.32Å; K74-K78 PolarHBondContact O-N 3.45Å
75K94.2Very high85.5Confident165 Ų165101.9 Ų101.972%0.71753%0.525SS*.Hα-helixtrans-70.5-45.5172.2-172.6-179.7179.8-176.60111.1R71 S72 E73 K78 A79R71-K75 WeakPolarHBondContact O-CB 3.31Å; R71-K75 PolarHBondContact O-N 2.67Å; S72-K75 WeakPolarHBondContact O-CB 3.29Å; S72-K75 PolarHBondContact O-N 2.93Å; E73-K75 VanDerWaalsContact C-N 3.25Å; E73-K75 PolarHBondContact O-N 3.29Å; K75-K78 PolarHBondContact O-N 2.93Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.42Å
76A93.6Very high87.5Confident28 Ų28106.5 Ų106.523%0.23153%0.529CS..Hα-helixtrans-61-47.7178.100000111.6S72 E73 K78 A79 M80 F123S72-A76 WeakPolarHBondContact O-CB 3.41Å; S72-A76 PolarHBondContact O-N 3.09Å; E73-A76 PolarHBondContact O-N 2.75Å; E73-A76 VanDerWaalsContact O-N 3.14Å; A76-K78 PolarHBondContact O-N 3.41Å; A76-A79 CarbonylContact O-C 3.59Å; A76-A79 WeakPolarHBondContact O-CA 3.45Å; A76-A79 WeakPolarHBondContact O-CB 3.26Å; A76-A79 PolarHBondContact O-N 3.15Å; A76-M80 WeakPolarHBondContact O-CG 3.49Å; A76-M80 PolarHBondContact O-N 3.42Å; A76-F123 HydrophobicContact CB-CE1 3.81Å; A76-F123 HydrophobicContact CB-CZ 3.9Å
77R92.3Very high89.2Confident67 Ų67102.5 Ų102.525%0.25351%0.513SS..Hα-helixtrans-56.7-46.8178.6-160.6177.6-58.9-173.1-0.2112.1E73 A79 M80 S81 D110 Y112E73-R77 WeakPolarHBondContact O-CB 3.4Å; E73-R77 PolarHBondContact O-N 3.03Å; E73-R77 IonicContact OE1-CZ 3.94Å; E73-R77 IonicContact OE1-NH2 3.13Å; E73-R77 PolarHBondContact OE1-NH2 3.48Å; R77-A79 PolarHBondContact O-N 2.99Å; R77-M80 PolarHBondContact O-N 3.41Å; R77-S81 PolarHBondContact O-N 3.15Å; R77-S81 VanDerWaalsContact O-N 3.12Å; R77-S81 PolarHBondContact O-OG 3.15Å; R77-S81 VanDerWaalsContact O-OG 3.13Å; R77-D110 WeakPolarHBondContact CD-OD2 3.25Å; R77-D110 IonicContact CZ-OD2 3.68Å; R77-D110 IonicContact NE-OD2 2.66Å; R77-D110 PolarHBondContact NE-OD2 2.95Å; R77-D110 IonicContact NH1-OD2 3.24Å; R77-D110 PolarHBondContact NH1-OD2 3Å; R77-D110 IonicContact NH2-OD2 2.7Å; R77-Y112 WeakPolarHBondContact CD-OH 3.19Å; R77-Y112 HydrophobicContact CG-CE2 3.74Å; R77-Y112 WeakPolarHBondContact CG-OH 3.26Å
78K93.3Very high90.7Very high153 Ų153100.9 Ų100.967%0.66549%0.494SS*.Hα-helixtrans-61.6-39.4172.6-74.5-173173.8-164.30112.9K74 K75 A76 K82K74-K78 WeakPolarHBondContact O-CG 3.32Å; K74-K78 PolarHBondContact O-N 3.45Å; K75-K78 PolarHBondContact O-N 2.93Å; A76-K78 PolarHBondContact O-N 3.41Å; K78-K82 WeakPolarHBondContact O-CB 3.44Å; K78-K82 PolarHBondContact O-N 3.4Å
79A95.1Very high92Very high50 Ų5096.8 Ų96.841%0.41349%0.486SS..Hα-helixtrans-65.7-41.417700000111.8K75 A76 R77 K82 L83K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.42Å; A76-A79 CarbonylContact O-C 3.59Å; A76-A79 WeakPolarHBondContact O-CA 3.45Å; A76-A79 WeakPolarHBondContact O-CB 3.26Å; A76-A79 PolarHBondContact O-N 3.15Å; R77-A79 PolarHBondContact O-N 2.99Å; A79-K82 PolarHBondContact O-N 3.01Å; A79-L83 WeakPolarHBondContact O-CB 3.39Å; A79-L83 PolarHBondContact O-N 3.2Å
80M93.8Very high92.8Very high45 Ų4597.6 Ų97.622%0.22251%0.51CS..Hα-helixtrans-61.6-46.4176.2-60.7-40.7170.900111.4A76 R77 K82 L83 G84 L85 Y112 I121 F123A76-M80 WeakPolarHBondContact O-CG 3.49Å; A76-M80 PolarHBondContact O-N 3.42Å; R77-M80 PolarHBondContact O-N 3.41Å; M80-K82 VanDerWaalsContact C-N 3.35Å; M80-K82 PolarHBondContact O-N 3.2Å; M80-L83 PolarHBondContact O-N 2.79Å; M80-G84 PolarHBondContact O-N 3.18Å; M80-L85 HydrophobicContact CB-CB 4.37Å; M80-L85 HydrophobicContact CB-CD1 3.75Å; M80-L85 HydrophobicContact CG-CD1 4.13Å; M80-L85 WeakPolarHBondContact O-CB 3.38Å; M80-L85 PolarHBondContact O-N 3.37Å; M80-L85 VanDerWaalsContact O-N 3.16Å; M80-L85 HydrophobicContact SD-CD1 3.66Å; M80-Y112 HydrophobicContact CB-CD1 4.2Å; M80-Y112 HydrophobicContact CB-CG 4.26Å; M80-I121 HydrophobicContact CE-CD1 3.84Å; M80-I121 HydrophobicContact CE-CG2 4.35Å; M80-I121 HydrophobicContact CG-CD1 4.22Å; M80-I121 HydrophobicContact SD-CD1 3.55Å; M80-I121 VanDerWaalsContact SD-CD1 3.55Å; M80-F123 HydrophobicContact CE-CZ 4.26Å; M80-F123 HydrophobicContact CG-CE2 4.13Å; M80-F123 HydrophobicContact CG-CZ 4.06Å
81S90.7Very high93.1Very high64 Ų6496.7 Ų96.745%0.44850%0.502SS..Hα-helixtrans-60.6-41.9174.2-51.30000112.4R77 L83 G84R77-S81 PolarHBondContact O-N 3.15Å; R77-S81 VanDerWaalsContact O-N 3.12Å; R77-S81 PolarHBondContact O-OG 3.15Å; R77-S81 VanDerWaalsContact O-OG 3.13Å; S81-L83 VanDerWaalsContact C-N 3.31Å; S81-L83 PolarHBondContact O-N 3.18Å; S81-G84 PolarHBondContact O-N 2.88Å
82K94.8Very high93.3Very high195 Ų19590.7 Ų90.785%0.84849%0.491SS*.Hα-helixtrans-68.2-27.8178.2-173.5170.4-178.7176.30113.1K78 A79 M80 G84K78-K82 WeakPolarHBondContact O-CB 3.44Å; K78-K82 PolarHBondContact O-N 3.4Å; A79-K82 PolarHBondContact O-N 3.01Å; M80-K82 VanDerWaalsContact C-N 3.35Å; M80-K82 PolarHBondContact O-N 3.2Å; K82-G84 PolarHBondContact O-N 3.29Å
83L93.9Very high93.5Very high140 Ų14092.8 Ų92.873%0.73349%0.486SS*.THydrogen-bonded Turntrans-80-2.6175.7-163133.3000112.8A79 M80 S81 L85A79-L83 WeakPolarHBondContact O-CB 3.39Å; A79-L83 PolarHBondContact O-N 3.2Å; M80-L83 PolarHBondContact O-N 2.79Å; S81-L83 VanDerWaalsContact C-N 3.31Å; S81-L83 PolarHBondContact O-N 3.18Å; L83-L85 HydrophobicContact CB-CD1 4.37Å; L83-L85 HydrophobicContact CD2-CD1 3.84Å; L83-L85 HydrophobicContact CD2-CG 4.29Å
84G92.5Very high93.8Very high42 Ų4291.9 Ų91.943%0.43348%0.484SS..THydrogen-bonded Turntrans87.411.4177.200000114.9M80 S81 K82M80-G84 PolarHBondContact O-N 3.18Å; S81-G84 PolarHBondContact O-N 2.88Å; K82-G84 PolarHBondContact O-N 3.29Å
85L95.1Very high94Very high20 Ų2089 Ų8911%0.10548%0.477CS..PPolyproline II helixtrans-70.9132.3170.3-67.4139.4000109.6M80 L83 Y112 I121M80-L85 HydrophobicContact CB-CB 4.37Å; M80-L85 HydrophobicContact CB-CD1 3.75Å; M80-L85 HydrophobicContact CG-CD1 4.13Å; M80-L85 WeakPolarHBondContact O-CB 3.38Å; M80-L85 PolarHBondContact O-N 3.37Å; M80-L85 VanDerWaalsContact O-N 3.16Å; M80-L85 HydrophobicContact SD-CD1 3.66Å; L83-L85 HydrophobicContact CB-CD1 4.37Å; L83-L85 HydrophobicContact CD2-CD1 3.84Å; L83-L85 HydrophobicContact CD2-CG 4.29Å; L85-Y112 HydrophobicContact CB-CD1 4.36Å; L85-I121 HydrophobicContact CD1-CD1 3.88Å; L85-I121 HydrophobicContact CD2-CD1 4.22Å
86R93.9Very high94Very high186 Ų18685.5 Ų85.570%0.70247%0.465SS*.EExtended strand (participates in β ladder)trans-88.3132.5179.5-67.5-174.5178-121.81.2110.1Y112 K113R86-Y112 CarbonylContact O-C 3.59Å; R86-Y112 WeakPolarHBondContact O-CA 3.25Å; R86-K113 PolarHBondContact N-O 2.89Å; R86-K113 PolarHBondContact O-N 3.49Å
87Q94.3Very high94.1Very high99 Ų9993.3 Ų93.346%0.46349%0.489SS..EExtended strand (participates in β ladder)trans-69.8138.3171.8-162.2174.63.800109.8D110 V111 Y112Q87-D110 PolarHBondContact NE2-OD1 3.42Å; Q87-D110 PolarHBondContact NE2-OD2 2.93Å; Q87-V111 CarbonylContact C-O 3.54Å; Q87-V111 WeakPolarHBondContact CA-O 3.49Å; Q87-Y112 HydrophobicContact CB-CD1 4.06Å; Q87-Y112 HydrophobicContact CB-CE1 3.61Å; Q87-Y112 HydrophobicContact CG-CD1 4.46Å; Q87-Y112 HydrophobicContact CG-CE1 3.88Å; Q87-Y112 HydrophobicContact CG-CE2 4.22Å; Q87-Y112 PolarHBondContact OE1-OH 3.46Å
88V94.4Very high94.2Very high56 Ų5698 Ų9834%0.33951%0.511SS..EExtended strand (participates in β ladder)trans-108.2105.2176.3-175.90000107.4V91 V111 K113V88-V91 HydrophobicContact CB-CG2 4.4Å; V88-V91 HydrophobicContact CG1-CG2 3.87Å; V88-V111 HydrophobicContact CB-CB 4.4Å; V88-V111 HydrophobicContact CB-CG1 4.42Å; V88-V111 PolarHBondContact N-O 3.46Å; V88-K113 HydrophobicContact CG2-CB 3.77Å
89T93.4Very high94.2Very high118 Ų11893 Ų9372%0.72450%0.495SS*.  trans-79.6162.917853.30000111.3V91T89-V91 PolarHBondContact O-N 3.34Å
90G93.1Very high93.9Very high76 Ų7699.3 Ų99.378%0.78451%0.513SS*.  trans79.39176.600000116.2T92G90-T92 PolarHBondContact O-N 3.49Å
91V94.6Very high93.8Very high42 Ų42100 Ų10026%0.25552%0.518SS..  trans-83.2101.5177.9-170.80000111.1V88 T89 V94 P109 V111V88-V91 HydrophobicContact CB-CG2 4.4Å; V88-V91 HydrophobicContact CG1-CG2 3.87Å; T89-V91 PolarHBondContact O-N 3.34Å; V91-V94 HydrophobicContact CG1-CG2 3.69Å; V91-P109 HydrophobicContact CB-CG 4.41Å; V91-P109 HydrophobicContact CG1-CG 3.85Å; V91-P109 WeakPolarHBondContact O-CD 3.5Å; V91-V111 HydrophobicContact CB-CG2 4.09Å; V91-V111 HydrophobicContact CG1-CG2 4.02Å; V91-V111 HydrophobicContact CG2-CB 4.27Å; V91-V111 HydrophobicContact CG2-CG2 4.12Å
92T95.1Very high93.9Very high105 Ų10599.8 Ų99.864%0.64451%0.511SS*.  trans-78.5-34.7-177.1-45.50000114.2G90 K108G90-T92 PolarHBondContact O-N 3.49Å; T92-K108 WeakPolarHBondContact O-CA 3.3Å; T92-K108 PolarHBondContact O-N 3.02Å
93R94.4Very high93.8Very high126 Ų12691.9 Ų91.948%0.47548%0.478SS..EExtended strand (participates in β ladder)trans-150.9132.2-177.1-177.2176.3175.5160.95.2109.7T95 V105 I106 E129R93-T95 PolarHBondContact NE-OG1 3.27Å; R93-V105 HydrophobicContact CG-CG1 4.2Å; R93-V105 VanDerWaalsContact NE-CG1 3.35Å; R93-I106 WeakPolarHBondContact CA-O 3.22Å; R93-E129 IonicContact CZ-OE2 3.82Å; R93-E129 IonicContact NH2-OE1 3.54Å; R93-E129 IonicContact NH2-OE2 2.89Å; R93-E129 PolarHBondContact NH2-OE2 3Å
94V95.8Very high93.9Very high30 Ų3087.9 Ų87.918%0.18246%0.455CS..EExtended strand (participates in β ladder)trans-112.2136.1166.61670000108V91 I96 I106 P109 V111 V122V91-V94 HydrophobicContact CG1-CG2 3.69Å; V94-I96 HydrophobicContact CG1-CG1 4.18Å; V94-I106 PolarHBondContact N-O 3.33Å; V94-I106 PolarHBondContact O-N 2.9Å; V94-P109 HydrophobicContact CB-CG 4.11Å; V94-P109 HydrophobicContact CG2-CB 4.42Å; V94-P109 HydrophobicContact CG2-CG 3.71Å; V94-V111 HydrophobicContact CG2-CG2 4.23Å; V94-V122 HydrophobicContact CB-CG1 4.31Å; V94-V122 HydrophobicContact CG1-CG1 4.31Å; V94-V122 HydrophobicContact CG1-CG2 4.39Å; V94-V122 HydrophobicContact CG2-CG1 4.3Å
95T95.1Very high94Very high62 Ų6286.1 Ų86.138%0.3844%0.436SS..EExtended strand (participates in β ladder)trans-130.8119.2179.7-54.60000109.8R93 L103 F104 V105R93-T95 PolarHBondContact NE-OG1 3.27Å; T95-L103 HydrophobicContact CG2-CB 3.86Å; T95-L103 HydrophobicContact CG2-CD2 3.55Å; T95-L103 HydrophobicContact CG2-CG 4.22Å; T95-F104 CarbonylContact C-O 3.53Å; T95-F104 WeakPolarHBondContact CA-O 3.25Å; T95-V105 HydrophobicContact CG2-CG2 3.94Å
96I95.2Very high94.1Very high91 Ų9185.7 Ų85.747%0.46743%0.433SS..EExtended strand (participates in β ladder)trans-107.3110.3-178.7-54.7167.7000108.3V94 K98 F104V94-I96 HydrophobicContact CG1-CG1 4.18Å; I96-K98 PolarHBondContact O-N 3.32Å; I96-F104 HydrophobicContact CB-CB 4.28Å; I96-F104 PolarHBondContact N-O 2.95Å; I96-F104 PolarHBondContact O-N 2.9Å
97R94.8Very high94.1Very high193 Ų19380.4 Ų80.473%0.72842%0.422SS*.EExtended strand (participates in β ladder)trans-83.1108.6-179.3-172.8177.474.3-176.32.7110.7S99R97-S99 WeakPolarHBondContact CG-O 3.41Å
98K94.5Very high94Very high164 Ų16481.7 Ų81.771%0.71343%0.426SS*.SBendtrans-84.2-39177.1178.8176.3174-176.70112.3I96 I102 F104I96-K98 PolarHBondContact O-N 3.32Å; K98-I102 PolarHBondContact N-O 2.98Å; K98-F104 HydrophobicContact CB-CD2 4.24Å; K98-F104 HydrophobicContact CB-CE2 3.86Å; K98-F104 HydrophobicContact CD-CE2 3.75Å; K98-F104 HydrophobicContact CD-CZ 4.34Å; K98-F104 HydrophobicContact CG-CE2 4.41Å
99S93.2Very high94.1Very high49 Ų4979.7 Ų79.734%0.34341%0.414SS..SBendtrans-139-177.8174.678.50000110R97 N101 I102R97-S99 WeakPolarHBondContact CG-O 3.41Å; S99-N101 PolarHBondContact O-N 3.03Å; S99-I102 PolarHBondContact N-O 3.32Å; S99-I102 WeakPolarHBondContact OG-CB 3.37Å; S99-I102 WeakPolarHBondContact OG-CG1 3.37Å; S99-I102 PolarHBondContact OG-N 3.2Å
100K90.3Very high94.1Very high183 Ų18375.2 Ų75.280%0.79639%0.386SS*.SBendtrans-56-37.1179.9-170.4179178.4-1780112.8
101N90.1Very high94.2Very high60 Ų6071.9 Ų71.932%0.32135%0.35SS..SBendtrans-112.2-17.1-173.4-55.5-6.6000113.7S99 L103 D130 L131 S132S99-N101 PolarHBondContact O-N 3.03Å; N101-L103 WeakPolarHBondContact O-CD1 3.43Å; N101-D130 WeakPolarHBondContact O-CA 3.49Å; N101-L131 HydrophobicContact CB-CB 4.37Å; N101-L131 PolarHBondContact O-N 2.99Å; N101-S132 VanDerWaalsContact CB-OG 3.28Å; N101-S132 WeakPolarHBondContact CB-OG 3.22Å; N101-S132 PolarHBondContact ND2-OG 3.15Å
102I93.1Very high94.2Very high58 Ų5870 Ų7030%0.29734%0.339SS..EExtended strand (participates in β ladder)trans-102.4116.9-176.4-55.6172.2000110.5K98 S99 I128K98-I102 PolarHBondContact N-O 2.98Å; S99-I102 PolarHBondContact N-O 3.32Å; S99-I102 WeakPolarHBondContact OG-CB 3.37Å; S99-I102 WeakPolarHBondContact OG-CG1 3.37Å; S99-I102 PolarHBondContact OG-N 3.2Å; I102-I128 HydrophobicContact CG2-CG2 3.98Å
103L94Very high94.3Very high30 Ų3068 Ų6816%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-121.4137-179.9-59.780.9000109.7T95 N101 V105 E129 L131T95-L103 HydrophobicContact CG2-CB 3.86Å; T95-L103 HydrophobicContact CG2-CD2 3.55Å; T95-L103 HydrophobicContact CG2-CG 4.22Å; N101-L103 WeakPolarHBondContact O-CD1 3.43Å; L103-V105 HydrophobicContact CB-CG2 4.42Å; L103-E129 HydrophobicContact CB-CB 4.5Å; L103-E129 PolarHBondContact N-O 2.89Å; L103-E129 PolarHBondContact O-N 2.88Å; L103-L131 HydrophobicContact CD1-CD1 4.18Å
104F95.3Very high94.4Very high55 Ų5563.2 Ų63.224%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-95115.5166.3-67-92.9000108.7T95 I96 K98 A126 K127 I128T95-F104 CarbonylContact C-O 3.53Å; T95-F104 WeakPolarHBondContact CA-O 3.25Å; I96-F104 HydrophobicContact CB-CB 4.28Å; I96-F104 PolarHBondContact N-O 2.95Å; I96-F104 PolarHBondContact O-N 2.9Å; K98-F104 HydrophobicContact CB-CD2 4.24Å; K98-F104 HydrophobicContact CB-CE2 3.86Å; K98-F104 HydrophobicContact CD-CE2 3.75Å; K98-F104 HydrophobicContact CD-CZ 4.34Å; K98-F104 HydrophobicContact CG-CE2 4.41Å; F104-A126 HydrophobicContact CB-CB 4.46Å; F104-A126 HydrophobicContact CD1-CB 4.25Å; F104-K127 CarbonylContact C-O 3.56Å; F104-K127 WeakPolarHBondContact CA-O 3.43Å; F104-I128 HydrophobicContact CD1-CG1 3.95Å; F104-I128 HydrophobicContact CE1-CD1 4Å; F104-I128 HydrophobicContact CE1-CG1 3.67Å; F104-I128 HydrophobicContact CZ-CG1 4.43Å
105V95.1Very high94.3Very high6 Ų666.3 Ų66.34%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-107.4121.1-176.1174.60000108.9R93 T95 L103 K127 E129R93-V105 HydrophobicContact CG-CG1 4.2Å; R93-V105 VanDerWaalsContact NE-CG1 3.35Å; T95-V105 HydrophobicContact CG2-CG2 3.94Å; L103-V105 HydrophobicContact CB-CG2 4.42Å; V105-K127 PolarHBondContact N-O 2.73Å; V105-K127 PolarHBondContact O-N 3.41Å; V105-E129 HydrophobicContact CG2-CB 3.93Å
106I95.7Very high94.2Very high10 Ų1067.5 Ų67.55%0.05134%0.343CS..EExtended strand (participates in β ladder)trans-111.6116.2173.5-54.6165.2000107.1R93 V94 P109 V122 A126R93-I106 WeakPolarHBondContact CA-O 3.22Å; V94-I106 PolarHBondContact N-O 3.33Å; V94-I106 PolarHBondContact O-N 2.9Å; I106-P109 HydrophobicContact CB-CB 4.44Å; I106-P109 HydrophobicContact CG2-CB 3.73Å; I106-P109 HydrophobicContact CG2-CG 4.44Å; I106-V122 HydrophobicContact CD1-CB 4.46Å; I106-V122 HydrophobicContact CD1-CG1 3.64Å; I106-A126 HydrophobicContact CD1-CB 4.32Å; I106-A126 HydrophobicContact CG1-CB 3.88Å
107T95.3Very high94.2Very high75 Ų7566.2 Ų66.246%0.4634%0.343SS..EExtended strand (participates in β ladder)trans-92.9134.5178.6-59.30000109.5
108K92Very high94.2Very high127 Ų12762.9 Ų62.955%0.55234%0.339SS*.SBendtrans48.753-175.1-64.8173.8168.5-169.50113.6V64 T92V64-K108 HydrophobicContact CG1-CB 4.27Å; V64-K108 HydrophobicContact CG1-CD 3.82Å; V64-K108 HydrophobicContact CG1-CG 4.41Å; T92-K108 WeakPolarHBondContact O-CA 3.3Å; T92-K108 PolarHBondContact O-N 3.02Å
109P95.3Very high94.3Very high13 Ų1358.8 Ų58.88%0.08433%0.328CS..  trans-68.2155.5177.128.3-33.7000112.9V91 V94 I106 V111 V122 F123V91-P109 HydrophobicContact CB-CG 4.41Å; V91-P109 HydrophobicContact CG1-CG 3.85Å; V91-P109 WeakPolarHBondContact O-CD 3.5Å; V94-P109 HydrophobicContact CB-CG 4.11Å; V94-P109 HydrophobicContact CG2-CB 4.42Å; V94-P109 HydrophobicContact CG2-CG 3.71Å; I106-P109 HydrophobicContact CB-CB 4.44Å; I106-P109 HydrophobicContact CG2-CB 3.73Å; I106-P109 HydrophobicContact CG2-CG 4.44Å; P109-V111 HydrophobicContact CB-CG2 3.99Å; P109-V111 HydrophobicContact CG-CG2 4.09Å; P109-V122 HydrophobicContact CB-CG1 3.63Å; P109-F123 WeakPolarHBondContact CA-O 3.44Å
110D93.5Very high94.4Very high24 Ų2462 Ų6213%0.12833%0.333CS..EExtended strand (participates in β ladder)trans-101.5118.9164.3-163.5-22000108.8R77 Q87 Y112 F123R77-D110 WeakPolarHBondContact CD-OD2 3.25Å; R77-D110 IonicContact CZ-OD2 3.68Å; R77-D110 IonicContact NE-OD2 2.66Å; R77-D110 PolarHBondContact NE-OD2 2.95Å; R77-D110 IonicContact NH1-OD2 3.24Å; R77-D110 PolarHBondContact NH1-OD2 3Å; R77-D110 IonicContact NH2-OD2 2.7Å; Q87-D110 PolarHBondContact NE2-OD1 3.42Å; Q87-D110 PolarHBondContact NE2-OD2 2.93Å; D110-Y112 WeakPolarHBondContact OD1-CE2 3.22Å; D110-F123 HydrophobicContact CB-CB 4.33Å; D110-F123 PolarHBondContact N-O 3.26Å; D110-F123 PolarHBondContact O-N 2.86Å
111V95.1Very high94.6Very high6 Ų655.5 Ų55.54%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-118.5134-167.1-176.80000111.3Q87 V88 V91 V94 P109 Y120 I121 V122Q87-V111 CarbonylContact C-O 3.54Å; Q87-V111 WeakPolarHBondContact CA-O 3.49Å; V88-V111 HydrophobicContact CB-CB 4.4Å; V88-V111 HydrophobicContact CB-CG1 4.42Å; V88-V111 PolarHBondContact N-O 3.46Å; V91-V111 HydrophobicContact CB-CG2 4.09Å; V91-V111 HydrophobicContact CG1-CG2 4.02Å; V91-V111 HydrophobicContact CG2-CB 4.27Å; V91-V111 HydrophobicContact CG2-CG2 4.12Å; V94-V111 HydrophobicContact CG2-CG2 4.23Å; P109-V111 HydrophobicContact CB-CG2 3.99Å; P109-V111 HydrophobicContact CG-CG2 4.09Å; V111-Y120 HydrophobicContact CG1-CD1 4.12Å; V111-I121 CarbonylContact C-O 3.53Å; V111-I121 WeakPolarHBondContact CA-O 3.5Å; V111-V122 HydrophobicContact CG1-CG2 4.39Å; V111-V122 HydrophobicContact CG2-CG1 4.25Å; V111-V122 HydrophobicContact CG2-CG2 4.26Å
112Y96.1Very high94.9Very high4 Ų454.9 Ų54.92%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-118.8135.4174.5-71-94.7000110.2R77 M80 L85 R86 Q87 D110 Y120 I121 F123R77-Y112 WeakPolarHBondContact CD-OH 3.19Å; R77-Y112 HydrophobicContact CG-CE2 3.74Å; R77-Y112 WeakPolarHBondContact CG-OH 3.26Å; M80-Y112 HydrophobicContact CB-CD1 4.2Å; M80-Y112 HydrophobicContact CB-CG 4.26Å; L85-Y112 HydrophobicContact CB-CD1 4.36Å; R86-Y112 CarbonylContact O-C 3.59Å; R86-Y112 WeakPolarHBondContact O-CA 3.25Å; Q87-Y112 HydrophobicContact CB-CD1 4.06Å; Q87-Y112 HydrophobicContact CB-CE1 3.61Å; Q87-Y112 HydrophobicContact CG-CD1 4.46Å; Q87-Y112 HydrophobicContact CG-CE1 3.88Å; Q87-Y112 HydrophobicContact CG-CE2 4.22Å; Q87-Y112 PolarHBondContact OE1-OH 3.46Å; D110-Y112 WeakPolarHBondContact OD1-CE2 3.22Å; Y112-Y120 CarbonylContact O-C 3.57Å; Y112-Y120 VanDerWaalsContact O-CA 3.31Å; Y112-Y120 WeakPolarHBondContact O-CA 3.3Å; Y112-I121 PolarHBondContact N-O 2.91Å; Y112-I121 PolarHBondContact O-N 3.49Å; Y112-F123 HydrophobicContact CD2-CD2 4Å; Y112-F123 AromaticContact CD2-CE2 3.85Å; Y112-F123 HydrophobicContact CD2-CE2 3.85Å; Y112-F123 HydrophobicContact CE2-CD2 4.13Å; Y112-F123 HydrophobicContact CE2-CE2 4.1Å
113K96.6Very high94.9Very high62 Ų6253.6 Ų53.627%0.2730%0.297SS..EExtended strand (participates in β ladder)trans-114.7140.3176.3-167.5-171.2177.2167.10111.1R86 V88 D118 T119 Y120R86-K113 PolarHBondContact N-O 2.89Å; R86-K113 PolarHBondContact O-N 3.49Å; V88-K113 HydrophobicContact CG2-CB 3.77Å; K113-D118 VanDerWaalsContact CE-OD1 3.25Å; K113-D118 WeakPolarHBondContact CE-OD1 3.47Å; K113-D118 IonicContact NZ-OD1 2.67Å; K113-D118 PolarHBondContact NZ-OD1 3.45Å; K113-T119 WeakPolarHBondContact CA-O 3.3Å; K113-Y120 HydrophobicContact CB-CD1 4Å; K113-Y120 HydrophobicContact CB-CE1 3.96Å; K113-Y120 HydrophobicContact CD-CD1 4.43Å; K113-Y120 HydrophobicContact CD-CE1 3.59Å; K113-Y120 WeakPolarHBondContact CE-OH 3.23Å; K113-Y120 HydrophobicContact CG-CD1 3.91Å; K113-Y120 HydrophobicContact CG-CE1 3.56Å; K113-Y120 PolarHBondContact NZ-OH 3.07Å
114S95.9Very high94.8Very high26 Ų2654.2 Ų54.218%0.18231%0.312CS..  trans-69.1133.2166.8179.60000110.8A116 T119S114-A116 PolarHBondContact O-N 3.45Å; S114-A116 PolarHBondContact OG-N 2.97Å; S114-T119 PolarHBondContact N-O 3.39Å
115P94.6Very high94.6Very high95 Ų9557 Ų5762%0.61733%0.325SS*.THydrogen-bonded Turntrans-69.4-18173.129.6-34.9000112.8
116A93.4Very high94.5Very high86 Ų8659.5 Ų59.571%0.71135%0.346SS*.THydrogen-bonded Turntrans-99-10.6-175.100000114.2S114S114-A116 PolarHBondContact O-N 3.45Å; S114-A116 PolarHBondContact OG-N 2.97Å
117S95Very high94.4Very high65 Ų6564.1 Ų64.146%0.45537%0.366SS..SBendtrans-161159.6-173.9-54.20000111.6T119S117-T119 PolarHBondContact O-N 2.81Å
118D94.3Very high94.4Very high122 Ų12266.2 Ų66.265%0.65237%0.373SS*.SBendtrans-7645.1172-72.5-70.6000113.5K113 Y120K113-D118 VanDerWaalsContact CE-OD1 3.25Å; K113-D118 WeakPolarHBondContact CE-OD1 3.47Å; K113-D118 IonicContact NZ-OD1 2.67Å; K113-D118 PolarHBondContact NZ-OD1 3.45Å; D118-Y120 HydrophobicContact CB-CE2 4.07Å; D118-Y120 WeakPolarHBondContact O-CD2 3.43Å; D118-Y120 WeakPolarHBondContact O-CE2 3.46Å; D118-Y120 PolarHBondContact OD1-OH 3.3Å
119T95.7Very high94.3Very high79 Ų7963.5 Ų63.549%0.48536%0.363SS..  trans-94.2123.9171.9-48.70000109.2K113 S114 S117K113-T119 WeakPolarHBondContact CA-O 3.3Å; S114-T119 PolarHBondContact N-O 3.39Å; S117-T119 PolarHBondContact O-N 2.81Å
120Y95.6Very high94.1Very high115 Ų11564.4 Ų64.445%0.45137%0.367SS..EExtended strand (participates in β ladder)trans-117.9138.1179.5-60-97.3000110V111 Y112 K113 D118V111-Y120 HydrophobicContact CG1-CD1 4.12Å; Y112-Y120 CarbonylContact O-C 3.57Å; Y112-Y120 VanDerWaalsContact O-CA 3.31Å; Y112-Y120 WeakPolarHBondContact O-CA 3.3Å; K113-Y120 HydrophobicContact CB-CD1 4Å; K113-Y120 HydrophobicContact CB-CE1 3.96Å; K113-Y120 HydrophobicContact CD-CD1 4.43Å; K113-Y120 HydrophobicContact CD-CE1 3.59Å; K113-Y120 WeakPolarHBondContact CE-OH 3.23Å; K113-Y120 HydrophobicContact CG-CD1 3.91Å; K113-Y120 HydrophobicContact CG-CE1 3.56Å; K113-Y120 PolarHBondContact NZ-OH 3.07Å; D118-Y120 HydrophobicContact CB-CE2 4.07Å; D118-Y120 WeakPolarHBondContact O-CD2 3.43Å; D118-Y120 WeakPolarHBondContact O-CE2 3.46Å; D118-Y120 PolarHBondContact OD1-OH 3.3Å
121I95.1Very high93.8Very high48 Ų4867 Ų6725%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-113.9125.8172.1-57.9178.4000106.8M80 L85 V111 Y112 F123M80-I121 HydrophobicContact CE-CD1 3.84Å; M80-I121 HydrophobicContact CE-CG2 4.35Å; M80-I121 HydrophobicContact CG-CD1 4.22Å; M80-I121 HydrophobicContact SD-CD1 3.55Å; M80-I121 VanDerWaalsContact SD-CD1 3.55Å; L85-I121 HydrophobicContact CD1-CD1 3.88Å; L85-I121 HydrophobicContact CD2-CD1 4.22Å; V111-I121 CarbonylContact C-O 3.53Å; V111-I121 WeakPolarHBondContact CA-O 3.5Å; Y112-I121 PolarHBondContact N-O 2.91Å; Y112-I121 PolarHBondContact O-N 3.49Å; I121-F123 HydrophobicContact CG2-CD2 4.43Å; I121-F123 HydrophobicContact CG2-CE2 3.84Å; I121-F123 HydrophobicContact CG2-CZ 4Å
122V95.6Very high93.4Very high47 Ų4768.6 Ų68.629%0.28539%0.391SS..EExtended strand (participates in β ladder)trans-120.3117.3-172.7-175.70000108.8V94 I106 P109 V111V94-V122 HydrophobicContact CB-CG1 4.31Å; V94-V122 HydrophobicContact CG1-CG1 4.31Å; V94-V122 HydrophobicContact CG1-CG2 4.39Å; V94-V122 HydrophobicContact CG2-CG1 4.3Å; I106-V122 HydrophobicContact CD1-CB 4.46Å; I106-V122 HydrophobicContact CD1-CG1 3.64Å; P109-V122 HydrophobicContact CB-CG1 3.63Å; V111-V122 HydrophobicContact CG1-CG2 4.39Å; V111-V122 HydrophobicContact CG2-CG1 4.25Å; V111-V122 HydrophobicContact CG2-CG2 4.26Å
123F94Very high92.8Very high30 Ų3073.8 Ų73.813%0.13242%0.416CS..EExtended strand (participates in β ladder)trans-99.1132.3171.9-63.1-81.5000109.9E73 A76 M80 P109 D110 Y112 I121E73-F123 HydrophobicContact CG-CD1 3.68Å; E73-F123 HydrophobicContact CG-CE1 4.2Å; E73-F123 HydrophobicContact CG-CG 4.31Å; A76-F123 HydrophobicContact CB-CE1 3.81Å; A76-F123 HydrophobicContact CB-CZ 3.9Å; M80-F123 HydrophobicContact CE-CZ 4.26Å; M80-F123 HydrophobicContact CG-CE2 4.13Å; M80-F123 HydrophobicContact CG-CZ 4.06Å; P109-F123 WeakPolarHBondContact CA-O 3.44Å; D110-F123 HydrophobicContact CB-CB 4.33Å; D110-F123 PolarHBondContact N-O 3.26Å; D110-F123 PolarHBondContact O-N 2.86Å; Y112-F123 HydrophobicContact CD2-CD2 4Å; Y112-F123 AromaticContact CD2-CE2 3.85Å; Y112-F123 HydrophobicContact CD2-CE2 3.85Å; Y112-F123 HydrophobicContact CE2-CD2 4.13Å; Y112-F123 HydrophobicContact CE2-CE2 4.1Å; I121-F123 HydrophobicContact CG2-CD2 4.43Å; I121-F123 HydrophobicContact CG2-CE2 3.84Å; I121-F123 HydrophobicContact CG2-CZ 4Å
124G92.6Very high92.2Very high44 Ų4476.8 Ų76.845%0.45443%0.431SS..SBendtrans155.4170.7176.700000112.2
125E90.6Very high91.5Very high113 Ų11378.4 Ų78.453%0.52845%0.446SS..  trans-76.2120.717543.2161.3-158.200111.4K127E125-K127 VanDerWaalsContact CD-CE 3.5Å; E125-K127 WeakPolarHBondContact OE1-CE 3.4Å; E125-K127 IonicContact OE1-NZ 2.67Å; E125-K127 PolarHBondContact OE1-NZ 2.96Å; E125-K127 WeakPolarHBondContact OE2-CE 3.25Å; E125-K127 IonicContact OE2-NZ 2.81Å; E125-K127 PolarHBondContact OE2-NZ 2.98Å
126A93.2Very high91Very high58 Ų5880.3 Ų80.348%0.47945%0.447SS..EExtended strand (participates in β ladder)trans-89109.2175.400000110.7F104 I106F104-A126 HydrophobicContact CB-CB 4.46Å; F104-A126 HydrophobicContact CD1-CB 4.25Å; I106-A126 HydrophobicContact CD1-CB 4.32Å; I106-A126 HydrophobicContact CG1-CB 3.88Å
127K94.2Very high90.6Very high107 Ų10782 Ų8247%0.46544%0.443SS..EExtended strand (participates in β ladder)trans-92.3138.2174.5-71.9169.2173.4160.90109.7F104 V105 E125F104-K127 CarbonylContact C-O 3.56Å; F104-K127 WeakPolarHBondContact CA-O 3.43Å; V105-K127 PolarHBondContact N-O 2.73Å; V105-K127 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact CD-CE 3.5Å; E125-K127 WeakPolarHBondContact OE1-CE 3.4Å; E125-K127 IonicContact OE1-NZ 2.67Å; E125-K127 PolarHBondContact OE1-NZ 2.96Å; E125-K127 WeakPolarHBondContact OE2-CE 3.25Å; E125-K127 IonicContact OE2-NZ 2.81Å; E125-K127 PolarHBondContact OE2-NZ 2.98Å
128I93.6Very high90.1Very high120 Ų12080.3 Ų80.362%0.61543%0.433SS*.EExtended strand (participates in β ladder)trans-87.4121.4178.4-55.8175.7000108I102 F104I102-I128 HydrophobicContact CG2-CG2 3.98Å; F104-I128 HydrophobicContact CD1-CG1 3.95Å; F104-I128 HydrophobicContact CE1-CD1 4Å; F104-I128 HydrophobicContact CE1-CG1 3.67Å; F104-I128 HydrophobicContact CZ-CG1 4.43Å
129E90.8Very high89.5Confident69 Ų6977.1 Ų77.132%0.32242%0.424SS..EExtended strand (participates in β ladder)trans-110.4114.6174-162.6178111.500107.3R93 L103 V105R93-E129 IonicContact CZ-OE2 3.82Å; R93-E129 IonicContact NH2-OE1 3.54Å; R93-E129 IonicContact NH2-OE2 2.89Å; R93-E129 PolarHBondContact NH2-OE2 3Å; L103-E129 HydrophobicContact CB-CB 4.5Å; L103-E129 PolarHBondContact N-O 2.89Å; L103-E129 PolarHBondContact O-N 2.88Å; V105-E129 HydrophobicContact CG2-CB 3.93Å
130D90.9Very high88.8Confident33 Ų3376.3 Ų76.318%0.17643%0.425CS..EExtended strand (participates in β ladder)trans-108.6105.2177.5-173.5-11.6000110.6N101 S132 Q133 Q134N101-D130 WeakPolarHBondContact O-CA 3.49Å; D130-S132 PolarHBondContact O-N 3.29Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.95Å; D130-S132 PolarHBondContact OD1-OG 2.94Å; D130-Q133 HydrophobicContact CB-CB 4.42Å; D130-Q133 HydrophobicContact CB-CG 4.22Å; D130-Q133 PolarHBondContact O-N 3.23Å; D130-Q133 PolarHBondContact OD2-NE2 2.98Å; D130-Q134 PolarHBondContact O-N 3.43Å
131L86.6Confident88.2Confident79 Ų7977.2 Ų77.241%0.41443%0.434SS..Hα-helixtrans-62.4-23.4179.1-109.566.9000113.2N101 L103 A135N101-L131 HydrophobicContact CB-CB 4.37Å; N101-L131 PolarHBondContact O-N 2.99Å; L103-L131 HydrophobicContact CD1-CD1 4.18Å; L131-A135 VanDerWaalsContact O-CB 3.32Å; L131-A135 WeakPolarHBondContact O-CB 3.26Å; L131-A135 PolarHBondContact O-N 3.37Å; L131-A135 VanDerWaalsContact O-N 3.14Å
132S86.6Confident87.6Confident38 Ų3882 Ų8227%0.26645%0.452SS..Hα-helixtrans-70-46.1177.5-11.20000111.4N101 D130 A135 Q136N101-S132 VanDerWaalsContact CB-OG 3.28Å; N101-S132 WeakPolarHBondContact CB-OG 3.22Å; N101-S132 PolarHBondContact ND2-OG 3.15Å; D130-S132 PolarHBondContact O-N 3.29Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.95Å; D130-S132 PolarHBondContact OD1-OG 2.94Å; S132-A135 PolarHBondContact O-N 2.89Å; S132-Q136 WeakPolarHBondContact O-CG 3.4Å; S132-Q136 PolarHBondContact O-N 3.14Å
133Q83.9Confident86.7Confident114 Ų11487.7 Ų87.753%0.53347%0.474SS..Hα-helixtrans-68.1-41.8-177.8-65.2175.74200110.4D130 A135 Q136 L137D130-Q133 HydrophobicContact CB-CB 4.42Å; D130-Q133 HydrophobicContact CB-CG 4.22Å; D130-Q133 PolarHBondContact O-N 3.23Å; D130-Q133 PolarHBondContact OD2-NE2 2.98Å; Q133-A135 VanDerWaalsContact C-N 3.31Å; Q133-A135 PolarHBondContact O-N 3.44Å; Q133-Q136 PolarHBondContact O-N 2.75Å; Q133-L137 WeakPolarHBondContact O-CG 3.32Å; Q133-L137 PolarHBondContact O-N 2.71Å
134Q83.4Confident85.8Confident124 Ų12493.5 Ų93.558%0.57950%0.499SS*.Hα-helixtrans-61.9-38.4174.5-168.8-179.710.300112.1D130 A138D130-Q134 PolarHBondContact O-N 3.43Å; Q134-A138 VanDerWaalsContact O-CB 3.26Å; Q134-A138 WeakPolarHBondContact O-CB 3.5Å; Q134-A138 PolarHBondContact O-N 3.23Å
135A82.1Confident84.3Confident60 Ų6095.9 Ų95.950%0.49651%0.505SS..Hα-helixtrans-66.9-37.8176.800000112.7L131 S132 Q133 A139L131-A135 VanDerWaalsContact O-CB 3.32Å; L131-A135 WeakPolarHBondContact O-CB 3.26Å; L131-A135 PolarHBondContact O-N 3.37Å; L131-A135 VanDerWaalsContact O-N 3.14Å; S132-A135 PolarHBondContact O-N 2.89Å; Q133-A135 VanDerWaalsContact C-N 3.31Å; Q133-A135 PolarHBondContact O-N 3.44Å; A135-A139 VanDerWaalsContact O-CB 3.26Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 2.75Å
136Q84.4Confident82.8Confident136 Ų13697.1 Ų97.164%0.63651%0.51SS*.Hα-helixtrans-68.1-46.3176.2-74.1173.5-22.500112S132 Q133 A139 A140S132-Q136 WeakPolarHBondContact O-CG 3.4Å; S132-Q136 PolarHBondContact O-N 3.14Å; Q133-Q136 PolarHBondContact O-N 2.75Å; Q136-A139 PolarHBondContact O-N 2.99Å; Q136-A140 PolarHBondContact O-N 3.32Å
137L83.9Confident80.8Confident120 Ų12096.6 Ų96.663%0.62851%0.51SS*.Hα-helixtrans-59.7-49.2175.7-70167.3000111.4Q133 A139 A140 E141Q133-L137 WeakPolarHBondContact O-CG 3.32Å; Q133-L137 PolarHBondContact O-N 2.71Å; L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 PolarHBondContact O-N 2.96Å; L137-A140 PolarHBondContact O-N 2.93Å; L137-A140 VanDerWaalsContact O-N 3.15Å; L137-E141 PolarHBondContact O-N 3.47Å
138A85.6Confident78.7Confident30 Ų3098 Ų9825%0.24852%0.519CS..Hα-helixtrans-67.3-23.6178.700000113.6Q134 K142Q134-A138 VanDerWaalsContact O-CB 3.26Å; Q134-A138 WeakPolarHBondContact O-CB 3.5Å; Q134-A138 PolarHBondContact O-N 3.23Å; A138-K142 VanDerWaalsContact O-CD 3.25Å; A138-K142 WeakPolarHBondContact O-CD 3.48Å; A138-K142 WeakPolarHBondContact O-CG 3.33Å; A138-K142 PolarHBondContact O-N 3.46Å
139A81.9Confident76.5Confident56 Ų5696.7 Ų96.746%0.46353%0.526SS..Hα-helixtrans-75.5-41.7171.200000111.5A135 Q136 L137 K142 F143A135-A139 VanDerWaalsContact O-CB 3.26Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 2.75Å; Q136-A139 PolarHBondContact O-N 2.99Å; L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 PolarHBondContact O-N 2.96Å; A139-K142 PolarHBondContact O-N 3.34Å; A139-F143 PolarHBondContact O-N 2.9Å
140A80.1Confident74.4Confident62 Ų6298.7 Ų98.751%0.51254%0.543SS..Hα-helixtrans-62.7-42.9175.500000112.1Q136 L137 K142 F143 K144Q136-A140 PolarHBondContact O-N 3.32Å; L137-A140 PolarHBondContact O-N 2.93Å; L137-A140 VanDerWaalsContact O-N 3.15Å; A140-K142 PolarHBondContact O-N 2.92Å; A140-F143 PolarHBondContact O-N 2.69Å; A140-K144 WeakPolarHBondContact O-CB 3.49Å; A140-K144 PolarHBondContact O-N 3.4Å
141E83.6Confident72.1Confident134 Ų134101.1 Ų101.163%0.62657%0.568SS**Hα-helixtrans-59.3-44.5173.6-71.5-178.6113.300112L137 F143 K144 V145L137-E141 PolarHBondContact O-N 3.47Å; E141-F143 PolarHBondContact O-N 3.48Å; E141-K144 PolarHBondContact O-N 2.88Å; E141-V145 WeakPolarHBondContact O-CG2 3.23Å; E141-V145 PolarHBondContact O-N 3.14Å
142K82.6Confident70.2Confident148 Ų148106.8 Ų106.864%0.64359%0.589SS**Hα-helixtrans-65.7-37.8178.2-72.4168.4-169.3175.40112.7A138 A139 A140 Q146A138-K142 VanDerWaalsContact O-CD 3.25Å; A138-K142 WeakPolarHBondContact O-CD 3.48Å; A138-K142 WeakPolarHBondContact O-CG 3.33Å; A138-K142 PolarHBondContact O-N 3.46Å; A139-K142 PolarHBondContact O-N 3.34Å; A140-K142 PolarHBondContact O-N 2.92Å; K142-Q146 WeakPolarHBondContact O-CG 3.43Å; K142-Q146 PolarHBondContact O-N 2.95Å
143F75.5Confident68.3Low167 Ų167111.9 Ų111.973%0.73261%0.612SS**Hα-helixtrans-68.4-41.1175.5-167.1-104000111.5A139 A140 E141 Q146 G147A139-F143 PolarHBondContact O-N 2.9Å; A140-F143 PolarHBondContact O-N 2.69Å; E141-F143 PolarHBondContact O-N 3.48Å; F143-Q146 PolarHBondContact O-N 3.29Å; F143-G147 PolarHBondContact O-N 3.26Å; F143-G147 VanDerWaalsContact O-N 3.12Å
144K74.6Confident66.2Low151 Ų151114.9 Ų114.966%0.65763%0.626SS**Hα-helixtrans-60.7-46176.1-169.1175.3-178.7-179.60112.2A140 E141 Q146 G147 E148A140-K144 WeakPolarHBondContact O-CB 3.49Å; A140-K144 PolarHBondContact O-N 3.4Å; E141-K144 PolarHBondContact O-N 2.88Å; K144-Q146 VanDerWaalsContact C-N 3.31Å; K144-Q146 PolarHBondContact O-N 3.29Å; K144-G147 PolarHBondContact O-N 3.06Å; K144-G147 VanDerWaalsContact O-N 3.09Å; K144-E148 PolarHBondContact O-N 2.95Å
145V63Low64.3Low95 Ų95115.9 Ų115.958%0.57664%0.635SS**Hα-helixtrans-66.2-30.3178.3173.10000112.5E141E141-V145 WeakPolarHBondContact O-CG2 3.23Å; E141-V145 PolarHBondContact O-N 3.14Å
146Q57.9Low62.4Low138 Ų138119.2 Ų119.265%0.64564%0.644SS**Hα-helixtrans-74.7-23.4172.7-74.2-174.1-24.500113.4K142 F143 K144 T150K142-Q146 WeakPolarHBondContact O-CG 3.43Å; K142-Q146 PolarHBondContact O-N 2.95Å; F143-Q146 PolarHBondContact O-N 3.29Å; K144-Q146 VanDerWaalsContact C-N 3.31Å; K144-Q146 PolarHBondContact O-N 3.29Å; Q146-T150 PolarHBondContact O-OG1 2.99Å
147G52.4Low60.5Low47 Ų47118 Ų11849%0.48565%0.646SS.*Hα-helixtrans-65.9-41.9169.500000112.9F143 K144 A149 T150F143-G147 PolarHBondContact O-N 3.26Å; F143-G147 VanDerWaalsContact O-N 3.12Å; K144-G147 PolarHBondContact O-N 3.06Å; K144-G147 VanDerWaalsContact O-N 3.09Å; G147-A149 PolarHBondContact O-N 2.62Å; G147-T150 PolarHBondContact O-N 3.29Å
148E49.2Very low58.5Low137 Ų137121 Ų12164%0.6466%0.657SS**Hα-helixtrans-72.2-27.1-176.6-66.7178.213300113.3K144 T150 A151K144-E148 PolarHBondContact O-N 2.95Å; E148-T150 PolarHBondContact O-N 3.01Å; E148-A151 PolarHBondContact O-N 2.71Å
149A47.4Very low56.1Low92 Ų92125.9 Ų125.976%0.7668%0.684SS**THydrogen-bonded Turntrans-70.3-11.1176.500000114.4G147G147-A149 PolarHBondContact O-N 2.62Å
150T46.5Very low54.5Low112 Ų112128.7 Ų128.769%0.68770%0.697SS**THydrogen-bonded Turntrans-114-1.5-178.1-32.90000112.8Q146 G147 E148 K152Q146-T150 PolarHBondContact O-OG1 2.99Å; G147-T150 PolarHBondContact O-N 3.29Å; E148-T150 PolarHBondContact O-N 3.01Å; T150-K152 PolarHBondContact O-N 2.81Å
151A43.5Very low52.7Low84 Ų84131.9 Ų131.969%0.69471%0.711SS**  trans-76.436.1-17700000114.9E148E148-A151 PolarHBondContact O-N 2.71Å
152K46.1Very low50.5Low197 Ų197132.8 Ų132.886%0.85773%0.725SS**SBendtrans-140.577.3164-94.2-170.2176.9177.70109.7T150T150-K152 PolarHBondContact O-N 2.81Å
153I47Very low48.4Very low146 Ų146133 Ų13375%0.74973%0.729SS**SBendtrans-176128.8140-93.2147.2000108.4
154Q39.2Very low46.8Very low176 Ų176132.6 Ų132.682%0.82273%0.729SS**  trans58.799.8159.9-73.4163.6-16.200119.9N156Q154-N156 PolarHBondContact O-N 3.38Å
155D44.6Very low45.1Very low146 Ų146133.6 Ų133.678%0.78174%0.736SS**  -21.4108.8118.5-176-65.8000113.2
156N41.4Very low44Very low129 Ų129134.5 Ų134.569%0.6975%0.746SS**  -169.9144.5119.1-139.8-102.9000114.3Q154Q154-N156 PolarHBondContact O-N 3.38Å
157T44.8Very low43.3Very low110 Ų110136.1 Ų136.168%0.67575%0.754SS**  trans-13.2126.4162.4-21.70000120
158Q40.8Very low42.9Very low185 Ų185142.8 Ų142.886%0.86477%0.772SS**  156.1132.3120.4-84.5-178.711.200113.3
159T36.9Very low42.8Very low132 Ų132142.6 Ų142.681%0.8177%0.771SS**  trans-86.4157.9164.847.20000110.4
160P47.2Very low43Very low114 Ų114147.6 Ų147.674%0.7478%0.779SS**  -148142.19335.9-17.4000117.6
161T42Very low43.7Very low129 Ų129144.1 Ų144.179%0.79176%0.758SS**  trans52.7111.4141.562.30000122.5
162V38.7Very low44.8Very low153 Ų153144.5 Ų144.593%0.92775%0.748SS**  -140.8137.9125.5175.70000109.7
163Q38.4Very low46.1Very low154 Ų154138.3 Ų138.372%0.7272%0.722SS**  trans-108.7144.1-178.4-179.2177.97.600107.7
164E42.2Very low47.4Very low157 Ų157136.6 Ų136.673%0.73472%0.719SS**  cis-148.3-179.513.1-134.2145.1-146.300107.7
165E38.1Very low49.2Very low173 Ų173131.2 Ų131.281%0.80871%0.711SS**SBendcis-153.5130.97.1178.1-176.231.100109.1
166S40.8Very low51.2Low114 Ų114125 Ų12580%0.79768%0.677SS**  trans161.761.1155-760000109.5E168S166-E168 VanDerWaalsContact C-N 3.26Å; S166-E168 PolarHBondContact O-N 2.95Å
167E43.1Very low53.4Low171 Ų171124.4 Ų124.480%0.79967%0.671SS**  trans-79.482.2170.8-164.1154.888.200108.2E169E167-E169 HydrophobicContact CG-CG 4.18Å; E167-E169 PolarHBondContact O-N 2.67Å
168E42.3Very low55.5Low187 Ų187122.2 Ų122.287%0.87466%0.657SS**  trans-72.266161.7-167.2164.989.400107.7S166 E170S166-E168 VanDerWaalsContact C-N 3.26Å; S166-E168 PolarHBondContact O-N 2.95Å; E168-E170 PolarHBondContact O-N 2.99Å
169E48Very low58Low133 Ų133120.7 Ų120.762%0.62165%0.648SS**  trans-56.8124.4159.5-105.3-166.8153.600106.8E167 V171E167-E169 HydrophobicContact CG-CG 4.18Å; E167-E169 PolarHBondContact O-N 2.67Å; E169-V171 HydrophobicContact CB-CG2 4.01Å; E169-V171 PolarHBondContact O-N 2.84Å
170E51.7Low60.6Low197 Ų197115.5 Ų115.592%0.92162%0.615SS**  trans-65.876.9164.1-71.1-17891.300108.3E168 D172E168-E170 PolarHBondContact O-N 2.99Å; E170-D172 PolarHBondContact O-N 3.3Å
171V60.2Low62.8Low39 Ų39110 Ų11024%0.23658%0.58CS.*  trans-66.2110.9179.1-176.40000107.7E169 E173 A193 V196E169-V171 HydrophobicContact CB-CG2 4.01Å; E169-V171 PolarHBondContact O-N 2.84Å; V171-E173 VanDerWaalsContact O-CG 3.31Å; V171-E173 WeakPolarHBondContact O-CG 3.49Å; V171-E173 PolarHBondContact O-N 3.39Å; V171-A193 HydrophobicContact CG2-CB 3.53Å; V171-V196 HydrophobicContact CG1-CB 4Å; V171-V196 HydrophobicContact CG1-CG1 3.57Å
172D67.8Low65.2Low92 Ų92108.6 Ų108.649%0.49256%0.564SS.*  trans-45.7109.8178.5169.236.5000111.5E170 T174 K200E170-D172 PolarHBondContact O-N 3.3Å; D172-T174 PolarHBondContact O-N 2.93Å; D172-T174 WeakPolarHBondContact OD1-CB 3.39Å; D172-T174 PolarHBondContact OD1-N 3.31Å; D172-T174 PolarHBondContact OD1-OG1 3.23Å; D172-K200 VanDerWaalsContact O-CE 3.31Å; D172-K200 WeakPolarHBondContact O-CE 3.41Å; D172-K200 PolarHBondContact O-NZ 2.95Å; D172-K200 IonicContact OD2-NZ 2.62Å
173E73.1Confident67.8Low68 Ų68104.9 Ų104.932%0.31854%0.538SS..  trans-81.9-0.2-178.7-50.1-156.6122.400112.4V171 G175 V176 R192V171-E173 VanDerWaalsContact O-CG 3.31Å; V171-E173 WeakPolarHBondContact O-CG 3.49Å; V171-E173 PolarHBondContact O-N 3.39Å; E173-G175 PolarHBondContact O-N 2.92Å; E173-G175 VanDerWaalsContact O-N 3.12Å; E173-V176 PolarHBondContact O-N 2.84Å; E173-V176 VanDerWaalsContact O-N 3.13Å; E173-R192 IonicContact OE1-CZ 2.8Å; E173-R192 IonicContact OE1-NE 3.53Å; E173-R192 PolarHBondContact OE1-NE 2.8Å; E173-R192 IonicContact OE1-NH2 2.84Å; E173-R192 PolarHBondContact OE1-NH2 3.31Å; E173-R192 IonicContact OE2-CZ 3.29Å; E173-R192 IonicContact OE2-NE 3.92Å; E173-R192 IonicContact OE2-NH2 3.61Å; E173-R192 PolarHBondContact OE2-NH2 3.23Å
174T74.4Confident70.4Confident110 Ų11097.5 Ų97.568%0.67550%0.504SS*.THydrogen-bonded Turntrans-59.1118.6-178.4-54.30000110.7D172D172-T174 PolarHBondContact O-N 2.93Å; D172-T174 WeakPolarHBondContact OD1-CB 3.39Å; D172-T174 PolarHBondContact OD1-N 3.31Å; D172-T174 PolarHBondContact OD1-OG1 3.23Å
175G77.1Confident72.8Confident63 Ų6392.1 Ų92.165%0.64948%0.479SS*.THydrogen-bonded Turntrans89.28.9177.700000115.8E173 N204E173-G175 PolarHBondContact O-N 2.92Å; E173-G175 VanDerWaalsContact O-N 3.12Å; G175-N204 PolarHBondContact O-ND2 2.58Å
176V85.3Confident75.4Confident14 Ų1488.6 Ų88.69%0.08547%0.473CS..SBendtrans-120.5137173.2-169.90000109.6E173 I181 V196 L199 K200E173-V176 PolarHBondContact O-N 2.84Å; E173-V176 VanDerWaalsContact O-N 3.13Å; V176-I181 HydrophobicContact CB-CD1 4.05Å; V176-I181 HydrophobicContact CB-CG1 4.49Å; V176-I181 HydrophobicContact CG1-CD1 3.69Å; V176-I181 HydrophobicContact CG1-CG1 3.6Å; V176-V196 HydrophobicContact CG2-CG1 4.27Å; V176-L199 HydrophobicContact CG1-CB 3.81Å; V176-L199 HydrophobicContact CG1-CD1 3.65Å; V176-L199 HydrophobicContact CG1-CG 4.35Å; V176-K200 HydrophobicContact CG2-CD 4.24Å; V176-K200 HydrophobicContact CG2-CG 3.59Å
177E88.6Confident77.9Confident118 Ų11888.6 Ų88.655%0.55146%0.461SS*.  trans-76.9129.2177.9-65-160.159.500111.4K179 D180 I181E177-K179 PolarHBondContact O-N 2.85Å; E177-D180 HydrophobicContact CB-CB 4.35Å; E177-D180 WeakPolarHBondContact O-CB 3.43Å; E177-D180 PolarHBondContact O-N 2.84Å; E177-I181 WeakPolarHBondContact O-CG1 3.33Å; E177-I181 PolarHBondContact O-N 2.77Å; E177-I181 VanDerWaalsContact O-N 3.15Å
178V89.6Confident80.2Confident64 Ų6481.1 Ų81.139%0.38843%0.429SS..Hα-helixtrans-58.6-33.1179.9-178.10000112.4D180 I181 E182V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 2.78Å; V178-I181 PolarHBondContact O-N 3.06Å; V178-E182 WeakPolarHBondContact O-CB 3.34Å; V178-E182 WeakPolarHBondContact O-CG 3.49Å; V178-E182 PolarHBondContact O-N 3.18Å
179K91.9Very high82.4Confident152 Ų15279.5 Ų79.566%0.66143%0.426SS*.Hα-helixtrans-62.8-38.3175.4-64.4173.8-173.3160.40112.3E177 E182 L183E177-K179 PolarHBondContact O-N 2.85Å; K179-E182 PolarHBondContact O-N 3.22Å; K179-L183 VanDerWaalsContact O-CB 3.3Å; K179-L183 WeakPolarHBondContact O-CB 3.41Å; K179-L183 PolarHBondContact O-N 3.41Å
180D93Very high84.5Confident23 Ų2374.2 Ų74.212%0.12340%0.403CS..Hα-helixtrans-72.9-40.8-178.5-61.3-3.3000109.4E177 V178 E182 L183 V184 L199 I206E177-D180 HydrophobicContact CB-CB 4.35Å; E177-D180 WeakPolarHBondContact O-CB 3.43Å; E177-D180 PolarHBondContact O-N 2.84Å; V178-D180 VanDerWaalsContact C-N 3.31Å; V178-D180 PolarHBondContact O-N 2.78Å; D180-E182 PolarHBondContact O-N 3.25Å; D180-L183 PolarHBondContact O-N 3.48Å; D180-V184 WeakPolarHBondContact O-CB 3.41Å; D180-V184 WeakPolarHBondContact O-CG2 3.28Å; D180-V184 PolarHBondContact O-N 3.47Å; D180-L199 HydrophobicContact CB-CD1 3.82Å; D180-L199 HydrophobicContact CB-CD2 4.09Å; D180-I206 HydrophobicContact CB-CD1 4.07Å; D180-I206 HydrophobicContact CB-CG1 3.96Å; D180-I206 VanDerWaalsContact OD1-CD1 3.22Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.32Å
181I91.9Very high86.4Confident0 Ų068.5 Ų68.50%038%0.384CS..Hα-helixtrans-59.1-47.5173.3-59.7160.2000110V176 E177 V178 L183 V184 M185 R192 A195 V196 L199V176-I181 HydrophobicContact CB-CD1 4.05Å; V176-I181 HydrophobicContact CB-CG1 4.49Å; V176-I181 HydrophobicContact CG1-CD1 3.69Å; V176-I181 HydrophobicContact CG1-CG1 3.6Å; E177-I181 WeakPolarHBondContact O-CG1 3.33Å; E177-I181 PolarHBondContact O-N 2.77Å; E177-I181 VanDerWaalsContact O-N 3.15Å; V178-I181 PolarHBondContact O-N 3.06Å; I181-L183 PolarHBondContact O-N 2.82Å; I181-V184 PolarHBondContact O-N 2.84Å; I181-M185 HydrophobicContact CG2-CE 4.12Å; I181-M185 HydrophobicContact CG2-CG 4.49Å; I181-M185 HydrophobicContact CG2-SD 4.41Å; I181-M185 WeakPolarHBondContact O-CB 3.42Å; I181-M185 VanDerWaalsContact O-CG 3.25Å; I181-M185 WeakPolarHBondContact O-CG 3.39Å; I181-M185 PolarHBondContact O-N 2.94Å; I181-R192 HydrophobicContact CG2-CG 3.74Å; I181-A195 HydrophobicContact CG2-CB 4.04Å; I181-V196 HydrophobicContact CD1-CG2 3.58Å; I181-V196 HydrophobicContact CG1-CG2 3.81Å; I181-V196 HydrophobicContact CG2-CG2 3.89Å; I181-L199 HydrophobicContact CB-CD1 4.31Å; I181-L199 HydrophobicContact CG1-CD1 3.68Å
182E92.9Very high87.8Confident99 Ų9971.1 Ų71.146%0.46339%0.39SS..Hα-helixtrans-61.9-40175.9-75.7175.1-172.400113.1V178 K179 D180 M185 S186V178-E182 WeakPolarHBondContact O-CB 3.34Å; V178-E182 WeakPolarHBondContact O-CG 3.49Å; V178-E182 PolarHBondContact O-N 3.18Å; K179-E182 PolarHBondContact O-N 3.22Å; D180-E182 PolarHBondContact O-N 3.25Å; E182-M185 HydrophobicContact CB-CE 4.43Å; E182-M185 HydrophobicContact CG-CE 3.99Å; E182-S186 VanDerWaalsContact O-CB 3.3Å; E182-S186 WeakPolarHBondContact O-CB 3.41Å; E182-S186 PolarHBondContact O-N 2.85Å; E182-S186 PolarHBondContact O-OG 2.7Å
183L93.1Very high88.9Confident74 Ų7468.4 Ų68.439%0.38738%0.381SS..Hα-helixtrans-68.9-42.2178.9-167.659.7000111.7K179 D180 I181 S186 Q187 I206K179-L183 VanDerWaalsContact O-CB 3.3Å; K179-L183 WeakPolarHBondContact O-CB 3.41Å; K179-L183 PolarHBondContact O-N 3.41Å; D180-L183 PolarHBondContact O-N 3.48Å; I181-L183 PolarHBondContact O-N 2.82Å; L183-S186 PolarHBondContact O-N 3.28Å; L183-Q187 HydrophobicContact CD1-CG 4.44Å; L183-Q187 WeakPolarHBondContact O-CB 3.4Å; L183-Q187 WeakPolarHBondContact O-CG 3.35Å; L183-Q187 PolarHBondContact O-N 2.67Å; L183-I206 HydrophobicContact CD2-CG2 4.09Å
184V92.4Very high89.7Confident0 Ų070.6 Ų70.60%039%0.389CS..Hα-helixtrans-65.2-46.6174.6173.90000111.1D180 I181 S186 Q187 A188 V190 A195 L199 I206 A209 I210 L213D180-V184 WeakPolarHBondContact O-CB 3.41Å; D180-V184 WeakPolarHBondContact O-CG2 3.28Å; D180-V184 PolarHBondContact O-N 3.47Å; I181-V184 PolarHBondContact O-N 2.84Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3Å; V184-Q187 PolarHBondContact O-N 3.24Å; V184-A188 VanDerWaalsContact O-CB 3.3Å; V184-A188 WeakPolarHBondContact O-CB 3.37Å; V184-A188 PolarHBondContact O-N 2.78Å; V184-V190 HydrophobicContact CG1-CG2 4.33Å; V184-A195 HydrophobicContact CB-CB 4Å; V184-A195 HydrophobicContact CG1-CB 3.65Å; V184-L199 HydrophobicContact CG2-CD1 4.09Å; V184-L199 HydrophobicContact CG2-CD2 3.97Å; V184-L199 HydrophobicContact CG2-CG 4.05Å; V184-I206 HydrophobicContact CG2-CG2 4.1Å; V184-A209 HydrophobicContact CG2-CB 4.33Å; V184-I210 HydrophobicContact CB-CG1 4.39Å; V184-I210 HydrophobicContact CG2-CD1 4.47Å; V184-I210 HydrophobicContact CG2-CG1 3.9Å; V184-L213 HydrophobicContact CG1-CD1 3.42Å; V184-L213 VanDerWaalsContact CG1-CD1 3.42Å
185M93.6Very high90.6Very high44 Ų4465.3 Ų65.322%0.21736%0.357CS..Hα-helixtrans-57.3-43.6175.4-75-171.5-59.800111.6I181 E182 N189 V190 R192 A195I181-M185 HydrophobicContact CG2-CE 4.12Å; I181-M185 HydrophobicContact CG2-CG 4.49Å; I181-M185 HydrophobicContact CG2-SD 4.41Å; I181-M185 WeakPolarHBondContact O-CB 3.42Å; I181-M185 VanDerWaalsContact O-CG 3.25Å; I181-M185 WeakPolarHBondContact O-CG 3.39Å; I181-M185 PolarHBondContact O-N 2.94Å; E182-M185 HydrophobicContact CB-CE 4.43Å; E182-M185 HydrophobicContact CG-CE 3.99Å; M185-N189 VanDerWaalsContact O-CA 3.23Å; M185-N189 WeakPolarHBondContact O-CA 3.41Å; M185-N189 PolarHBondContact O-N 2.93Å; M185-V190 WeakPolarHBondContact CG-O 3.48Å; M185-R192 HydrophobicContact CE-CG 4.36Å; M185-R192 WeakPolarHBondContact SD-CA 3.5Å; M185-R192 HydrophobicContact SD-CB 3.56Å; M185-R192 VanDerWaalsContact SD-CB 3.56Å; M185-R192 HydrophobicContact SD-CG 3.86Å; M185-A195 HydrophobicContact CG-CB 3.73Å
186S93.4Very high91.2Very high98 Ų9862.4 Ų62.469%0.68533%0.326SS*.Hα-helixtrans-72.2-36.3-176.8-57.10000113.4E182 L183 V184E182-S186 VanDerWaalsContact O-CB 3.3Å; E182-S186 WeakPolarHBondContact O-CB 3.41Å; E182-S186 PolarHBondContact O-N 2.85Å; E182-S186 PolarHBondContact O-OG 2.7Å; L183-S186 PolarHBondContact O-N 3.28Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 PolarHBondContact O-N 3Å
187Q92.1Very high91.5Very high114 Ų11470.1 Ų70.153%0.53335%0.354SS..Hα-helixtrans-86.9-34.3-178.3-68.1-169.543.900113.2L183 V184 I210L183-Q187 HydrophobicContact CD1-CG 4.44Å; L183-Q187 WeakPolarHBondContact O-CB 3.4Å; L183-Q187 WeakPolarHBondContact O-CG 3.35Å; L183-Q187 PolarHBondContact O-N 2.67Å; V184-Q187 PolarHBondContact O-N 3.24Å; Q187-I210 HydrophobicContact CB-CD1 4.1Å; Q187-I210 HydrophobicContact CB-CG1 4.43Å; Q187-I210 HydrophobicContact CB-CG2 4.2Å; Q187-I210 HydrophobicContact CG-CD1 4.37Å
188A91Very high91.7Very high15 Ų1564.6 Ų64.612%0.12433%0.329CS..Hα-helixtrans-98.1-6.9-179.300000114.4V184 V190 L213 T214V184-A188 VanDerWaalsContact O-CB 3.3Å; V184-A188 WeakPolarHBondContact O-CB 3.37Å; V184-A188 PolarHBondContact O-N 2.78Å; A188-V190 VanDerWaalsContact C-N 3.32Å; A188-V190 HydrophobicContact CB-CG1 4.04Å; A188-V190 HydrophobicContact CB-CG2 4.29Å; A188-V190 WeakPolarHBondContact O-CG1 3.48Å; A188-V190 PolarHBondContact O-N 2.88Å; A188-L213 HydrophobicContact CB-CB 3.68Å; A188-L213 HydrophobicContact CB-CD1 4.32Å; A188-T214 HydrophobicContact CB-CG2 3.65Å
189N90.3Very high91.8Very high152 Ų15261.6 Ų61.681%0.81331%0.31SS*.THydrogen-bonded Turntrans52.747.3-177.5-163.794.8000112.3M185M185-N189 VanDerWaalsContact O-CA 3.23Å; M185-N189 WeakPolarHBondContact O-CA 3.41Å; M185-N189 PolarHBondContact O-N 2.93Å
190V91.5Very high91.8Very high23 Ų2358.2 Ų58.214%0.13930%0.296CS..  trans-114.2160.9-179.8-60.60000112.2V184 M185 A188 K194 A195 L213V184-V190 HydrophobicContact CG1-CG2 4.33Å; M185-V190 WeakPolarHBondContact CG-O 3.48Å; A188-V190 VanDerWaalsContact C-N 3.32Å; A188-V190 HydrophobicContact CB-CG1 4.04Å; A188-V190 HydrophobicContact CB-CG2 4.29Å; A188-V190 WeakPolarHBondContact O-CG1 3.48Å; A188-V190 PolarHBondContact O-N 2.88Å; V190-K194 HydrophobicContact CB-CB 4.21Å; V190-K194 HydrophobicContact CB-CD 4.11Å; V190-K194 HydrophobicContact CB-CG 4.38Å; V190-K194 HydrophobicContact CG1-CD 4.02Å; V190-K194 HydrophobicContact CG2-CB 4.41Å; V190-A195 HydrophobicContact CG2-CB 4.04Å; V190-L213 HydrophobicContact CG1-CB 4.41Å; V190-L213 HydrophobicContact CG1-CD1 4.44Å; V190-L213 HydrophobicContact CG1-CD2 4.35Å; V190-L213 HydrophobicContact CG2-CD1 3.92Å
191S91.9Very high91.8Very high76 Ų7661.7 Ų61.753%0.53131%0.314SS..  trans-66.8154.917363.10000112.4A193 K194 A195S191-A193 VanDerWaalsContact C-N 3.33Å; S191-A193 PolarHBondContact O-N 3.18Å; S191-K194 PolarHBondContact O-N 2.94Å; S191-A195 PolarHBondContact O-N 2.86Å
192R89.7Confident91.7Very high94 Ų9462.8 Ų62.836%0.35532%0.32SS..Hα-helixtrans-53.9-46.5-179.1-164.1173176.5109.8-2.6112.4E173 I181 M185 K194 A195 V196E173-R192 IonicContact OE1-CZ 2.8Å; E173-R192 IonicContact OE1-NE 3.53Å; E173-R192 PolarHBondContact OE1-NE 2.8Å; E173-R192 IonicContact OE1-NH2 2.84Å; E173-R192 PolarHBondContact OE1-NH2 3.31Å; E173-R192 IonicContact OE2-CZ 3.29Å; E173-R192 IonicContact OE2-NE 3.92Å; E173-R192 IonicContact OE2-NH2 3.61Å; E173-R192 PolarHBondContact OE2-NH2 3.23Å; I181-R192 HydrophobicContact CG2-CG 3.74Å; M185-R192 HydrophobicContact CE-CG 4.36Å; M185-R192 WeakPolarHBondContact SD-CA 3.5Å; M185-R192 HydrophobicContact SD-CB 3.56Å; M185-R192 VanDerWaalsContact SD-CB 3.56Å; M185-R192 HydrophobicContact SD-CG 3.86Å; R192-K194 VanDerWaalsContact C-N 3.31Å; R192-K194 PolarHBondContact O-N 2.81Å; R192-A195 PolarHBondContact O-N 3.23Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.39Å; R192-V196 PolarHBondContact O-N 3.14Å
193A90.9Very high91.6Very high36 Ų3665.3 Ų65.330%0.29834%0.337SS..Hα-helixtrans-54.3-43.5174.600000113.1V171 S191 R197V171-A193 HydrophobicContact CG2-CB 3.53Å; S191-A193 VanDerWaalsContact C-N 3.33Å; S191-A193 PolarHBondContact O-N 3.18Å; A193-R197 WeakPolarHBondContact O-CB 2.99Å; A193-R197 PolarHBondContact O-N 3.38Å
194K90.1Very high91.4Very high113 Ų11364.7 Ų64.749%0.49133%0.334SS..Hα-helixtrans-71.8-37.4179.7-165.6175-175.2-170.80112V190 S191 R192 A198 L213V190-K194 HydrophobicContact CB-CB 4.21Å; V190-K194 HydrophobicContact CB-CD 4.11Å; V190-K194 HydrophobicContact CB-CG 4.38Å; V190-K194 HydrophobicContact CG1-CD 4.02Å; V190-K194 HydrophobicContact CG2-CB 4.41Å; S191-K194 PolarHBondContact O-N 2.94Å; R192-K194 VanDerWaalsContact C-N 3.31Å; R192-K194 PolarHBondContact O-N 2.81Å; K194-A198 WeakPolarHBondContact O-CB 3.34Å; K194-A198 PolarHBondContact O-N 3.07Å; K194-L213 HydrophobicContact CD-CD2 4.06Å; K194-L213 HydrophobicContact CG-CD2 3.87Å
195A91.5Very high91.5Very high0 Ų068.6 Ų68.60%036%0.355CS..Hα-helixtrans-64-48.1173.100000112.3I181 V184 M185 V190 S191 R192 R197 A198 L199I181-A195 HydrophobicContact CG2-CB 4.04Å; V184-A195 HydrophobicContact CB-CB 4Å; V184-A195 HydrophobicContact CG1-CB 3.65Å; M185-A195 HydrophobicContact CG-CB 3.73Å; V190-A195 HydrophobicContact CG2-CB 4.04Å; S191-A195 PolarHBondContact O-N 2.86Å; R192-A195 PolarHBondContact O-N 3.23Å; A195-R197 VanDerWaalsContact C-N 3.32Å; A195-R197 PolarHBondContact O-N 3.05Å; A195-A198 PolarHBondContact O-N 2.78Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.13Å
196V91.5Very high91.4Very high1 Ų168.5 Ų68.51%0.00636%0.355CS..Hα-helixtrans-58.3-44.8175.6176.30000110.8V171 V176 I181 R192 L199 K200V171-V196 HydrophobicContact CG1-CB 4Å; V171-V196 HydrophobicContact CG1-CG1 3.57Å; V176-V196 HydrophobicContact CG2-CG1 4.27Å; I181-V196 HydrophobicContact CD1-CG2 3.58Å; I181-V196 HydrophobicContact CG1-CG2 3.81Å; I181-V196 HydrophobicContact CG2-CG2 3.89Å; R192-V196 VanDerWaalsContact O-CG2 3.29Å; R192-V196 WeakPolarHBondContact O-CG2 3.39Å; R192-V196 PolarHBondContact O-N 3.14Å; V196-L199 PolarHBondContact O-N 2.96Å; V196-K200 HydrophobicContact CG1-CD 4.3Å; V196-K200 HydrophobicContact CG1-CG 4.49Å; V196-K200 WeakPolarHBondContact O-CG 3.46Å; V196-K200 PolarHBondContact O-N 2.97Å
197R90.7Very high91.3Very high176 Ų17669 Ų6966%0.66435%0.353SS*.Hα-helixtrans-64.7-42.6178.6-175.7172.1178164.4-2.2112.6A193 A195 K200 N201A193-R197 WeakPolarHBondContact O-CB 2.99Å; A193-R197 PolarHBondContact O-N 3.38Å; A195-R197 VanDerWaalsContact C-N 3.32Å; A195-R197 PolarHBondContact O-N 3.05Å; R197-K200 PolarHBondContact O-N 3Å; R197-N201 WeakPolarHBondContact O-CB 3.41Å; R197-N201 PolarHBondContact O-N 3.4Å; R197-N201 PolarHBondContact O-OD1 2.85Å
198A92.1Very high91.4Very high3 Ų367.3 Ų67.33%0.02535%0.348CS..Hα-helixtrans-63.7-42.2176.100000111.7K194 A195 N201 N202 A209 L213K194-A198 WeakPolarHBondContact O-CB 3.34Å; K194-A198 PolarHBondContact O-N 3.07Å; A195-A198 PolarHBondContact O-N 2.78Å; A198-N201 PolarHBondContact O-N 3.38Å; A198-N202 WeakPolarHBondContact O-CB 3.07Å; A198-N202 PolarHBondContact O-N 3.41Å; A198-N202 PolarHBondContact O-ND2 2.84Å; A198-A209 HydrophobicContact CB-CB 4.01Å; A198-L213 HydrophobicContact CB-CD1 3.46Å; A198-L213 VanDerWaalsContact CB-CD1 3.46Å; A198-L213 HydrophobicContact CB-CD2 4.2Å; A198-L213 HydrophobicContact CB-CG 3.86Å
199L92.8Very high91.5Very high0 Ų066.6 Ų66.60%034%0.342CS..Hα-helixtrans-63-47.2174.7-72.1163.8000111.6V176 D180 I181 V184 A195 V196 N201 N202 N203 N204 I206 A209V176-L199 HydrophobicContact CG1-CB 3.81Å; V176-L199 HydrophobicContact CG1-CD1 3.65Å; V176-L199 HydrophobicContact CG1-CG 4.35Å; D180-L199 HydrophobicContact CB-CD1 3.82Å; D180-L199 HydrophobicContact CB-CD2 4.09Å; I181-L199 HydrophobicContact CB-CD1 4.31Å; I181-L199 HydrophobicContact CG1-CD1 3.68Å; V184-L199 HydrophobicContact CG2-CD1 4.09Å; V184-L199 HydrophobicContact CG2-CD2 3.97Å; V184-L199 HydrophobicContact CG2-CG 4.05Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.13Å; V196-L199 PolarHBondContact O-N 2.96Å; L199-N201 PolarHBondContact O-N 3.33Å; L199-N202 CarbonylContact O-C 3.42Å; L199-N202 PolarHBondContact O-N 2.86Å; L199-N202 VanDerWaalsContact O-N 3.15Å; L199-N203 PolarHBondContact O-N 3.47Å; L199-N204 WeakPolarHBondContact O-CA 3.34Å; L199-N204 PolarHBondContact O-N 2.66Å; L199-I206 HydrophobicContact CD2-CG1 4.34Å; L199-A209 HydrophobicContact CD2-CB 3.98Å; L199-A209 HydrophobicContact CG-CB 4.3Å
200K91.4Very high91.6Very high82 Ų8260.3 Ų60.336%0.35731%0.308SS..Hα-helixtrans-60.2-42.6176.7-72.7-171.9-179.5-168.80112.8D172 V176 V196 R197 N202 N203D172-K200 VanDerWaalsContact O-CE 3.31Å; D172-K200 WeakPolarHBondContact O-CE 3.41Å; D172-K200 PolarHBondContact O-NZ 2.95Å; D172-K200 IonicContact OD2-NZ 2.62Å; V176-K200 HydrophobicContact CG2-CD 4.24Å; V176-K200 HydrophobicContact CG2-CG 3.59Å; V196-K200 HydrophobicContact CG1-CD 4.3Å; V196-K200 HydrophobicContact CG1-CG 4.49Å; V196-K200 WeakPolarHBondContact O-CG 3.46Å; V196-K200 PolarHBondContact O-N 2.97Å; R197-K200 PolarHBondContact O-N 3Å; K200-N202 VanDerWaalsContact C-N 3.27Å; K200-N202 PolarHBondContact O-N 2.96Å; K200-N203 PolarHBondContact O-N 3.45Å
201N92.1Very high91.7Very high96 Ų9664 Ų6451%0.51333%0.325SS..Hα-helixtrans-63.2-33.1176.9-76-4000112.8R197 A198 L199R197-N201 WeakPolarHBondContact O-CB 3.41Å; R197-N201 PolarHBondContact O-N 3.4Å; R197-N201 PolarHBondContact O-OD1 2.85Å; A198-N201 PolarHBondContact O-N 3.38Å; L199-N201 PolarHBondContact O-N 3.33Å
202N91.4Very high91.6Very high22 Ų2265.1 Ų65.112%0.11832%0.322CS..THydrogen-bonded Turntrans-100.422-177.3-69.2-72.3000113.3A198 L199 K200 N204 D205 N208 A209 E212A198-N202 WeakPolarHBondContact O-CB 3.07Å; A198-N202 PolarHBondContact O-N 3.41Å; A198-N202 PolarHBondContact O-ND2 2.84Å; L199-N202 CarbonylContact O-C 3.42Å; L199-N202 PolarHBondContact O-N 2.86Å; L199-N202 VanDerWaalsContact O-N 3.15Å; K200-N202 VanDerWaalsContact C-N 3.27Å; K200-N202 PolarHBondContact O-N 2.96Å; N202-N204 PolarHBondContact O-N 3.02Å; N202-D205 HydrophobicContact CB-CB 4.42Å; N202-D205 VanDerWaalsContact O-CB 3.26Å; N202-D205 WeakPolarHBondContact O-CB 3.36Å; N202-D205 PolarHBondContact O-N 2.98Å; N202-N208 HydrophobicContact CB-CB 4.36Å; N202-N208 PolarHBondContact OD1-ND2 3.15Å; N202-A209 HydrophobicContact CB-CB 4.43Å; N202-E212 PolarHBondContact ND2-OE2 3.27Å
203N90.9Very high91.6Very high153 Ų15362 Ų6282%0.81831%0.312SS*.THydrogen-bonded Turntrans54.834.3179-61.6106.3000114.2L199 K200 D205L199-N203 PolarHBondContact O-N 3.47Å; K200-N203 PolarHBondContact O-N 3.45Å; N203-D205 VanDerWaalsContact C-N 3.3Å
204N89.3Confident91.4Very high61 Ų6164 Ų6433%0.32632%0.321SS..THydrogen-bonded Turntrans64.920.3-171.8-57.2-37.7000115.2G175 L199 N202 I206G175-N204 PolarHBondContact O-ND2 2.58Å; L199-N204 WeakPolarHBondContact O-CA 3.34Å; L199-N204 PolarHBondContact O-N 2.66Å; N202-N204 PolarHBondContact O-N 3.02Å; N204-I206 PolarHBondContact O-N 2.93Å; N204-I206 VanDerWaalsContact O-N 3.15Å
205D93.8Very high90.7Very high82 Ų8268.1 Ų68.144%0.43934%0.344SS..  trans-73.4103.1166.9-170.1-35.3000110.4N202 N203 V207 N208 A209N202-D205 HydrophobicContact CB-CB 4.42Å; N202-D205 VanDerWaalsContact O-CB 3.26Å; N202-D205 WeakPolarHBondContact O-CB 3.36Å; N202-D205 PolarHBondContact O-N 2.98Å; N203-D205 VanDerWaalsContact C-N 3.3Å; D205-V207 VanDerWaalsContact C-N 3.3Å; D205-V207 PolarHBondContact O-N 2.8Å; D205-V207 WeakPolarHBondContact OD1-CA 3.38Å; D205-V207 WeakPolarHBondContact OD1-CB 3.44Å; D205-V207 PolarHBondContact OD1-N 3.16Å; D205-N208 HydrophobicContact CB-CB 4.13Å; D205-N208 PolarHBondContact OD1-N 3.19Å; D205-A209 VanDerWaalsContact O-CB 3.25Å; D205-A209 WeakPolarHBondContact O-CB 3.44Å; D205-A209 PolarHBondContact O-N 2.83Å
206I91.3Very high90.7Very high41 Ų4171.6 Ų71.621%0.2136%0.362CS..Hα-helixtrans-58.8-40.6179-46174.2000111.6D180 L183 V184 L199 N204 A209 I210D180-I206 HydrophobicContact CB-CD1 4.07Å; D180-I206 HydrophobicContact CB-CG1 3.96Å; D180-I206 VanDerWaalsContact OD1-CD1 3.22Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.32Å; L183-I206 HydrophobicContact CD2-CG2 4.09Å; V184-I206 HydrophobicContact CG2-CG2 4.1Å; L199-I206 HydrophobicContact CD2-CG1 4.34Å; N204-I206 PolarHBondContact O-N 2.93Å; N204-I206 VanDerWaalsContact O-N 3.15Å; I206-A209 PolarHBondContact O-N 3.44Å; I206-I210 HydrophobicContact CG2-CD1 3.79Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.2Å; I206-I210 PolarHBondContact O-N 3.12Å
207V92.1Very high90.6Very high108 Ų10875.3 Ų75.366%0.65538%0.38SS*.Hα-helixtrans-71.4-44.8-174-178.50000109.4D205 I210 M211D205-V207 VanDerWaalsContact C-N 3.3Å; D205-V207 PolarHBondContact O-N 2.8Å; D205-V207 WeakPolarHBondContact OD1-CA 3.38Å; D205-V207 WeakPolarHBondContact OD1-CB 3.44Å; D205-V207 PolarHBondContact OD1-N 3.16Å; V207-I210 PolarHBondContact O-N 3.39Å; V207-M211 WeakPolarHBondContact O-CB 3.47Å; V207-M211 PolarHBondContact O-N 3.24Å
208N92.4Very high90.6Very high79 Ų7969.7 Ų69.742%0.42237%0.365SS..Hα-helixtrans-67.7-37.7177-150.249.5000111.6N202 D205 M211 E212N202-N208 HydrophobicContact CB-CB 4.36Å; N202-N208 PolarHBondContact OD1-ND2 3.15Å; D205-N208 HydrophobicContact CB-CB 4.13Å; D205-N208 PolarHBondContact OD1-N 3.19Å; N208-M211 PolarHBondContact O-N 3.45Å; N208-E212 WeakPolarHBondContact O-CB 3.25Å; N208-E212 PolarHBondContact O-N 2.89Å
209A92.9Very high90.5Very high0 Ų073.6 Ų73.60%039%0.385CS..Hα-helixtrans-64-42.6175.300000113.2V184 A198 L199 N202 D205 I206 L213V184-A209 HydrophobicContact CG2-CB 4.33Å; A198-A209 HydrophobicContact CB-CB 4.01Å; L199-A209 HydrophobicContact CD2-CB 3.98Å; L199-A209 HydrophobicContact CG-CB 4.3Å; N202-A209 HydrophobicContact CB-CB 4.43Å; D205-A209 VanDerWaalsContact O-CB 3.25Å; D205-A209 WeakPolarHBondContact O-CB 3.44Å; D205-A209 PolarHBondContact O-N 2.83Å; I206-A209 PolarHBondContact O-N 3.44Å; A209-L213 WeakPolarHBondContact O-CB 3.31Å; A209-L213 WeakPolarHBondContact O-CD1 3.43Å; A209-L213 VanDerWaalsContact O-CG 3.23Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.34Å
210I93.3Very high90.4Very high21 Ų2178.2 Ų78.211%0.10841%0.409CS..Hα-helixtrans-65.1-43.4173.8-67.5167.5000110.1V184 Q187 I206 V207 E212 L213 T214V184-I210 HydrophobicContact CB-CG1 4.39Å; V184-I210 HydrophobicContact CG2-CD1 4.47Å; V184-I210 HydrophobicContact CG2-CG1 3.9Å; Q187-I210 HydrophobicContact CB-CD1 4.1Å; Q187-I210 HydrophobicContact CB-CG1 4.43Å; Q187-I210 HydrophobicContact CB-CG2 4.2Å; Q187-I210 HydrophobicContact CG-CD1 4.37Å; I206-I210 HydrophobicContact CG2-CD1 3.79Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 VanDerWaalsContact O-CG1 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.2Å; I206-I210 PolarHBondContact O-N 3.12Å; V207-I210 PolarHBondContact O-N 3.39Å; I210-E212 PolarHBondContact O-N 3.23Å; I210-L213 PolarHBondContact O-N 2.85Å; I210-L213 VanDerWaalsContact O-N 3.14Å; I210-T214 HydrophobicContact CG2-CG2 4.05Å; I210-T214 WeakPolarHBondContact O-CB 3.35Å; I210-T214 WeakPolarHBondContact O-CG2 3.42Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 3.18Å
211M93.4Very high90.3Very high99 Ų9977.9 Ų77.949%0.48841%0.412SS..Hα-helixtrans-63.4-38.2-179.5-176.2162.7-176.900112.6V207 N208 L213 M215V207-M211 WeakPolarHBondContact O-CB 3.47Å; V207-M211 PolarHBondContact O-N 3.24Å; N208-M211 PolarHBondContact O-N 3.45Å; M211-L213 VanDerWaalsContact C-N 3.33Å; M211-M215 HydrophobicContact CE-CE 3.82Å; M211-M215 HydrophobicContact CE-SD 4.22Å; M211-M215 HydrophobicContact CG-CE 3.59Å; M211-M215 WeakPolarHBondContact O-CE 3.36Å
212E89.8Confident90.2Very high101 Ų10176.6 Ų76.647%0.47241%0.405SS..Hα-helixtrans-66.5-33.2172.9-172.7-174.8156.800112.6N202 N208 I210N202-E212 PolarHBondContact ND2-OE2 3.27Å; N208-E212 WeakPolarHBondContact O-CB 3.25Å; N208-E212 PolarHBondContact O-N 2.89Å; I210-E212 PolarHBondContact O-N 3.23Å
213L90.1Very high90.1Very high28 Ų2880.8 Ų80.815%0.14743%0.427CS..Hα-helixtrans-91.8-10.6-175.1-67.9173.1000115V184 A188 V190 K194 A198 A209 I210 M211V184-L213 HydrophobicContact CG1-CD1 3.42Å; V184-L213 VanDerWaalsContact CG1-CD1 3.42Å; A188-L213 HydrophobicContact CB-CB 3.68Å; A188-L213 HydrophobicContact CB-CD1 4.32Å; V190-L213 HydrophobicContact CG1-CB 4.41Å; V190-L213 HydrophobicContact CG1-CD1 4.44Å; V190-L213 HydrophobicContact CG1-CD2 4.35Å; V190-L213 HydrophobicContact CG2-CD1 3.92Å; K194-L213 HydrophobicContact CD-CD2 4.06Å; K194-L213 HydrophobicContact CG-CD2 3.87Å; A198-L213 HydrophobicContact CB-CD1 3.46Å; A198-L213 VanDerWaalsContact CB-CD1 3.46Å; A198-L213 HydrophobicContact CB-CD2 4.2Å; A198-L213 HydrophobicContact CB-CG 3.86Å; A209-L213 WeakPolarHBondContact O-CB 3.31Å; A209-L213 WeakPolarHBondContact O-CD1 3.43Å; A209-L213 VanDerWaalsContact O-CG 3.23Å; A209-L213 WeakPolarHBondContact O-CG 3.5Å; A209-L213 PolarHBondContact O-N 3.34Å; I210-L213 PolarHBondContact O-N 2.85Å; I210-L213 VanDerWaalsContact O-N 3.14Å; M211-L213 VanDerWaalsContact C-N 3.33Å
214T86.3Confident90.1Very high79 Ų7974.8 Ų74.849%0.48539%0.394SS..Hα-helixtrans-115.4-2.7-175.8530000115.2A188 I210A188-T214 HydrophobicContact CB-CG2 3.65Å; I210-T214 HydrophobicContact CG2-CG2 4.05Å; I210-T214 WeakPolarHBondContact O-CB 3.35Å; I210-T214 WeakPolarHBondContact O-CG2 3.42Å; I210-T214 PolarHBondContact O-N 3.46Å; I210-T214 PolarHBondContact O-OG1 3.18Å
215M76.1Confident90.1Very high199 Ų19976.1 Ų76.198%0.9840%0.4SS*.  trans-88.60173.3-81.3-165-72.400113.6M211M211-M215 HydrophobicContact CE-CE 3.82Å; M211-M215 HydrophobicContact CE-SD 4.22Å; M211-M215 HydrophobicContact CG-CE 3.59Å; M211-M215 WeakPolarHBondContact O-CE 3.36Å

Retrieved 215 of 215 residues in 348.9 ms (Link to these results)