A0A061I9P9_CRIGR Loading...

NFKB activating protein-like

AlphaFold DB , UniProt , Accession A0A061I9P9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100771303, Length 400 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
1M42.6Very low43.1Very low242 Ų242151.8 Ų151.8100%1.19280%0.801SS**  0147.20-57.4-160.177.400108.6
2S48.3Very low42.4Very low100 Ų100150.7 Ų150.770%0.69980%0.795SS**  trans-70164.7159.834.50000109.9
3P55.4Low42Very low120 Ų120144.8 Ų144.878%0.77978%0.775SS**  cis-104.6162.729.63.721000114.4
4V42.2Very low41.8Very low121 Ų121146.9 Ų146.973%0.73378%0.784SS**  cis83.2135.429.7176.30000113.8
5S39.4Very low41Very low92 Ų92141.9 Ų141.964%0.64378%0.782SS**  cis-177.1145.4-26.4-940000110.5
6R39.8Very low40.7Very low240 Ų240140.3 Ų140.391%0.90678%0.784SS**  trans63.7166.5155.7-66.2179.4169.2-163.6-4.8115.7
7S37.8Very low40.3Very low107 Ų107142 Ų14275%0.74878%0.784SS**  cis-141.9146.917.3-56.30000114.7
8R41.6Very low40.1Very low245 Ų245145.4 Ų145.493%0.92579%0.79SS**  trans-113150139.9-70-174.4178.3-173.7-0.2107
9P51.9Low39.8Very low113 Ų113150.4 Ų150.473%0.73480%0.796SS**  -136.9-178.895.715.19.4000111.9
10N35.6Very low39.6Very low138 Ų138153.6 Ų153.674%0.73880%0.796SS**  cis-152.3168.9-0.9-12719.1000111.2
11E39.3Very low39.4Very low152 Ų152155.8 Ų155.871%0.7179%0.794SS**  trans-11.9158135.3-31.6-6681.200116.8
12D35.6Very low38.9Very low138 Ų138150.3 Ų150.374%0.73877%0.77SS**  cis-163.5-176.712.7-144.910.9000109.3
13S36.4Very low38.3Very low75 Ų75150.2 Ų150.252%0.52477%0.77SS.*  cis-161.8163.8-0.2-150.60000111.7
14L38.8Very low37.3Very low173 Ų173152.1 Ų152.191%0.90677%0.773SS**  trans59.5157.1162.1-55.7172.3000117.7
15G31.2Very low37.2Very low73 Ų73151.5 Ų151.575%0.75377%0.774SS**  cis-161.4178.9-2.500000110.3
16S35.4Very low37.8Very low116 Ų116153.3 Ų153.381%0.81178%0.784SS**  trans-127.1166.8-162.1-165.20000116.3
17Q33.6Very low37.5Very low169 Ų169150.3 Ų150.379%0.7979%0.785SS**  trans82.989.8161.1-52.5-1625.400122.8
18K36.6Very low37.4Very low203 Ų203150.8 Ų150.888%0.88379%0.788SS**  40.991.498.1-168.8-170.4-174.9177.20119.9
19R34.6Very low37Very low240 Ų240145.1 Ų145.191%0.90678%0.78SS**  trans-149.4135.4139.5-65.8-162-179.1-145.6-1.9107.4
20R35.5Very low36Very low214 Ų214148 Ų14881%0.80879%0.789SS**  82.1104.752.5-94.5-155.6176.5-159.21.1115.2
21R36.2Very low36.1Very low200 Ų200149.9 Ų149.976%0.75579%0.793SS**  trans69.6159.7154.7-71.5-167.1-173.6-169.31116.7
22D31.8Very low36Very low127 Ų127148.8 Ų148.868%0.67980%0.797SS**  cis-139.7-178.38.1-107-40.8000112.5
23S35.5Very low35.8Very low99 Ų99152.4 Ų152.469%0.69280%0.8SS**  trans14.6141.7156.9-52.80000123.6
24D35.5Very low35.6Very low159 Ų159159.1 Ų159.185%0.8581%0.814SS**  -167.1167.3100.1-108.8-13.7000115.1
25S39.2Very low35.6Very low108 Ų108156.5 Ų156.576%0.75581%0.81SS**  trans-152.3138.7178.2-670000112.4
26P51.2Low36.5Very low131 Ų131158.9 Ų158.985%0.85181%0.812SS**  trans-87.2142.617733.8-33.4000113
27L33.8Very low36.5Very low177 Ų177165.3 Ų165.393%0.92782%0.819SS**  trans-103.9141.7173.1-70.7166.7000111.1
28S35.3Very low36.3Very low116 Ų116161 Ų16181%0.81182%0.82SS**  trans-141.294.716554.90000112.9
29V34.1Very low35.9Very low126 Ų126154.8 Ų154.876%0.76481%0.813SS**  trans-1.2118.8160.2-175.60000117.5Q31V29-Q31 HydrophobicContact CG1-CG 3.9Å
30L31.9Very low35.7Very low175 Ų175146.9 Ų146.992%0.91681%0.806SS**PPolyproline II helixtrans-99122.5154.8-82.4168.3000109.9
31Q37.1Very low35.5Very low177 Ų177146.6 Ų146.683%0.82781%0.811SS**PPolyproline II helixtrans-103.8132166-74-167.2-100110.9V29V29-Q31 HydrophobicContact CG1-CG 3.9Å
32T36.9Very low35.2Very low128 Ų128140.5 Ų140.579%0.78581%0.811SS**PPolyproline II helixtrans-95.2133.6170.750.80000110.4
33R31.5Very low35.3Very low215 Ų215143.2 Ų143.281%0.81182%0.824SS**  trans-176.4131.7139.2-102149.5-166.5-99.4-1.5115.1
34R32.6Very low35.1Very low216 Ų216146.3 Ų146.382%0.81583%0.827SS**  trans47.7119.5138.4-65.1-178.7174.6-159.5-3.8120.4
35S38.8Very low35Very low118 Ų118146.3 Ų146.383%0.82583%0.827SS**  trans-65.2158.6149.9-34.10000112.3
36P49.3Very low34.6Very low122 Ų122145 Ų14579%0.79282%0.818SS**  trans-115.5149.5146.135.4-28000112.3
37R34.8Very low33.6Very low252 Ų252143.1 Ų143.195%0.95181%0.813SS**  trans-80.1151.2156.3-78.2178.2162.8-158.4-1.8108.8
38G29.5Very low33.3Very low79 Ų79143.3 Ų143.381%0.81481%0.806SS**  trans167.2152.5159.200000115.1
39G28.6Very low33.1Very low71 Ų71145.4 Ų145.473%0.73280%0.804SS**  trans76.480.4157.500000117.3
40G31.4Very low33Very low74 Ų74142.7 Ų142.776%0.76380%0.801SS**  trans-98.5120.1155.300000109.8
41F29.6Very low33.2Very low208 Ų208142.7 Ų142.791%0.91280%0.801SS**  trans-137.3124.5167-73.3-73.3000109.5
42G29.8Very low33.1Very low73 Ų73145.7 Ų145.775%0.75381%0.805SS**  trans-116.3130166.400000108.9
43L34.1Very low33.3Very low183 Ų183145.3 Ų145.396%0.95880%0.804SS**  trans-130.8147.7163.5-76.5178.7000109.4
44H31.7Very low34.1Very low164 Ų164141 Ų14176%0.75980%0.804SS**  trans-104.8139.1-170.6143.2-66.1000109.9
45L32.8Very low34.2Very low160 Ų160142.5 Ų142.584%0.83881%0.81SS**  trans-149.8105.9157.8-103171.4000112.3
46S31.1Very low33.8Very low81 Ų81139.6 Ų139.657%0.56680%0.799SS**  trans18.6124.3146.458.90000122.9
47A29.7Very low33.1Very low91 Ų91140.2 Ų140.275%0.75280%0.8SS**  61.5117.6122.800000122.5
48F28.3Very low33Very low180 Ų180137.1 Ų137.179%0.78980%0.797SS**  -153.1116.4114-127.8-117.9000107.4
49E31.1Very low33.1Very low161 Ų161136.8 Ų136.875%0.75279%0.793SS**  79.4141.1101.5-165.2171.2-103.300113.7
50G32.8Very low33.8Very low68 Ų68139.9 Ų139.970%0.70180%0.8SS**  trans-154.9145.9-175.500000113.5
51L34.8Very low33.8Very low176 Ų176147.5 Ų147.592%0.92181%0.806SS**  trans-119.7137.1-178.9-65.7174.5000110.9
52R36.7Very low33.9Very low240 Ų240145.8 Ų145.891%0.90681%0.805SS**  trans-147.9123.4179.4-157.8-174.6-158.6-1588.6110
53P41.3Very low34.1Very low119 Ų119146.2 Ų146.277%0.77380%0.801SS**  trans-76.2156-175.629.7-34.7000113.2
54P48.4Very low33.9Very low124 Ų124146.3 Ų146.381%0.80580%0.796SS**  trans-88.6171.4-168.836-38000114.8
55R34.1Very low33.7Very low248 Ų248150.4 Ų150.494%0.93681%0.805SS**  trans-142.3139.6162.2-76.8-172.2171.7-117.4-3.1110.9
56G29.5Very low33.7Very low58 Ų58149.2 Ų149.260%0.59881%0.805SS**  trans-68.7156.1168.300000113.2
57T35.3Very low33.8Very low134 Ų134150.8 Ų150.882%0.82282%0.816SS**  65.4123.580.864.80000112.2
58E33Very low33.9Very low188 Ų188156.5 Ų156.588%0.87982%0.818SS**  cis-138-167.85.9-61.3-168.416000112.9
59G30.7Very low34.3Very low71 Ų71153.6 Ų153.673%0.73282%0.817SS**  trans-91.1-157.1-177.300000115.5
60P43.1Very low34.3Very low136 Ų136156.3 Ų156.388%0.88382%0.82SS**  cis-125.7175.413.240.9-25.8000117.3
61R32.7Very low34.5Very low235 Ų235158.5 Ų158.589%0.88783%0.825SS**  trans-61.7149.3-168.9-51.3160.3-175.6-119.7-0.4116.2
62L31.5Very low34.3Very low172 Ų172153.9 Ų153.990%0.90182%0.82SS**  -180164.7105.7-100.9169.4000115.5
63A32.9Very low34.4Very low81 Ų81151.4 Ų151.467%0.66982%0.818SS**  trans66.493.8166.300000119.4
64H30Very low34.4Very low185 Ų185156.6 Ų156.686%0.85682%0.823SS**  trans-79.6148.1163.1-61.2-91000112
65W28.7Very low34.5Very low250 Ų250156.1 Ų156.195%0.94782%0.819SS**  trans-126.2129.3162.1-82.160.6000108.9
66V33.2Very low35.5Very low136 Ų136149.7 Ų149.782%0.82481%0.81SS**  trans-95.1135.7-168.6175.20000111.8
67S31.4Very low36.3Very low114 Ų114152.7 Ų152.780%0.79782%0.819SS**  trans-67.2132.8174-65.30000111.9
68R32.1Very low36.6Very low211 Ų211152.8 Ų152.880%0.79682%0.822SS**  trans-110.7110.6-175.2-175.6-173.1-169.5-156.28.9111.8
69P37.2Very low36.7Very low119 Ų119147 Ų14777%0.77381%0.813SS**  trans-72.3149.115932.1-32.5000109.6
70R31.2Very low37.1Very low218 Ų218151.6 Ų151.682%0.82382%0.819SS**  trans-128.1107.9171.3-173.8177.8-173.3-145.90.1110
71S36Very low36.9Very low114 Ų114156.4 Ų156.480%0.79782%0.82SS**  trans-65.8157.6165.744.80000111.5
72G31.9Very low37.1Very low79 Ų79151.3 Ų151.381%0.81482%0.815SS**  trans-144.829.2-171.900000114.5
73E39.3Very low37.2Very low187 Ų187152.4 Ų152.487%0.87481%0.813SS**  trans-75.9152.2171.9-75.9-57.9146.500112
74R40.9Very low37.6Very low229 Ų229153.7 Ų153.786%0.86482%0.823SS**  trans-105.8131.8-169.8-175.2-179.8-179.3-178.6-0.5111
75P49.8Very low37.9Very low113 Ų113150.5 Ų150.573%0.73482%0.821SS**PPolyproline II helixtrans-75145.5-177.330.2-35.2000112.7
76P54.9Low38.1Very low114 Ų114144 Ų14474%0.7482%0.815SS**PPolyproline II helixtrans-74.6162.4167.732.4-34.8000112.1
77P46.6Very low38.4Very low120 Ų120143.1 Ų143.178%0.77981%0.814SS**PPolyproline II helixtrans-75.1158.5-177.931.5-36.1000113.5
78P42.2Very low39Very low136 Ų136143.2 Ų143.288%0.88381%0.812SS**PPolyproline II helixtrans-83.8139.1-175.833.4-34.8000113
79G34.7Very low39.9Very low68 Ų68139.5 Ų139.570%0.70182%0.815SS**  trans-165146.717200000112
80I39.2Very low39.9Very low167 Ų167139.5 Ų139.586%0.85682%0.818SS**  trans64.4111.4176.7-50.3173.4000114.6T82I80-T82 HydrophobicContact CG2-CG2 4.38Å
81R38.7Very low40.4Very low237 Ų237137.6 Ų137.689%0.89482%0.822SS**  trans-94.5135.5161.7-61.6174177.5-1353.1108.5
82T36.3Very low40.2Very low128 Ų128138.2 Ų138.279%0.78583%0.825SS**  trans-132.1151.4158.245.30000109.4I80I80-T82 HydrophobicContact CG2-CG2 4.38Å
83F34.8Very low40.4Very low195 Ų195138 Ų13886%0.85582%0.824SS**  trans-83.9157.4-168.6-75-102.4000112.4
84A40.8Very low40.1Very low107 Ų107131.7 Ų131.788%0.88481%0.808SS**  trans-71.7127.7166.500000109.9
85S35.9Very low40.5Very low118 Ų118132.1 Ų132.183%0.82581%0.811SS**  trans-130.4143.3170.6-68.10000109.3
86S33.9Very low40.2Very low115 Ų115137.7 Ų137.780%0.80482%0.818SS**  trans-73.7145.8-173.350.70000113.9
87S39.4Very low39.4Very low117 Ų117137.1 Ų137.182%0.81882%0.815SS**  trans-64.9142.2167.3-440000112.5
88P43Very low39.3Very low115 Ų115140.1 Ų140.175%0.74782%0.818SS**  trans-104.5144.1147.134.9-28.4000110.7
89P51.8Low39.7Very low133 Ų133140.7 Ų140.786%0.86481%0.809SS**  trans-92.1135.5172.934.4-31000111.9
90S35.6Very low40.5Very low119 Ų119147 Ų14783%0.83281%0.813SS**  trans-151.2136.6163.360.70000111.5
91I42.4Very low41.2Very low178 Ų178142.8 Ų142.891%0.91380%0.803SS**  trans-94.1126.4-178.2-64161.4000109.5
92C33Very low41.8Very low127 Ų127133.3 Ų133.386%0.85878%0.779SS**  trans-161.3160.3140.5-1520000111.1
93G34.9Very low42.7Very low76 Ų76132.7 Ų132.778%0.78477%0.771SS**  trans-79162.6178.100000113.5
94G33.1Very low43.6Very low53 Ų53131.5 Ų131.555%0.54676%0.761SS.*  trans176.4105.1178.400000112.7
95Y49.2Very low44.3Very low239 Ų239131.3 Ų131.394%0.93774%0.744SS**  trans-47.8134.7176.6-33.3-86.5000111.8
96R43.5Very low45.2Very low230 Ų230134.8 Ų134.887%0.86874%0.74SS**  trans-127124.8177.5-127.1-179-68.7-99.51.2110.5
97C37.8Very low46.5Very low101 Ų101131.9 Ų131.968%0.68272%0.722SS**  trans-76.2142.7-165.5-56.40000114.6H99C97-H99 PolarHBondContact O-N 2.59Å
98H46.1Very low47.7Very low183 Ų183130 Ų13085%0.84770%0.7SS**  trans-85.363.9172.6-83.8-95.5000112.3
99H49.9Very low48.9Very low149 Ų149128.1 Ų128.169%0.6968%0.684SS**  trans-122.68.7-173.7-68.2-38.9000117.3C97C97-H99 PolarHBondContact O-N 2.59Å
100Y51.2Low49.8Very low201 Ų201126.6 Ų126.679%0.78867%0.666SS**SBendtrans-113.914.8176.1-64.3-69.8000114.7
101A53.4Low51.7Low77 Ų77127.5 Ų127.564%0.63666%0.657SS**SBendtrans-86.2-18.8178.400000114
102G52.1Low53.3Low38 Ų38123.6 Ų123.639%0.39263%0.633SS.*SBendtrans-77.4-60.3-176.900000113.4R104 L105 W106G102-R104 PolarHBondContact O-N 2.81Å; G102-L105 WeakPolarHBondContact O-CB 3.5Å; G102-L105 PolarHBondContact O-N 3.24Å; G102-W106 PolarHBondContact O-N 3.21Å
103D54.8Low55.6Low115 Ų115123.9 Ų123.962%0.61562%0.622SS**Hα-helixtrans-57.8-28.8-170.9-54.5-20.5000113.7W106 A107D103-W106 PolarHBondContact O-N 3.26Å; D103-A107 PolarHBondContact O-N 2.91Å; D103-A107 VanDerWaalsContact O-N 3.15Å
104R54.7Low58Low170 Ų170125.7 Ų125.764%0.64261%0.608SS**Hα-helixtrans-68.5-33.1178.4-146.9179.1-163-76.31.7112.7G102 E108G102-R104 PolarHBondContact O-N 2.81Å; R104-E108 IonicContact NH1-OE1 3.36Å; R104-E108 PolarHBondContact NH1-OE1 3.44Å; R104-E108 WeakPolarHBondContact O-CG 3.22Å; R104-E108 PolarHBondContact O-N 3.18Å
105L55.1Low60.3Low103 Ų103127.4 Ų127.454%0.53960%0.602SS.*Hα-helixtrans-67.8-47.9173.3-11471.4000110.8G102 A107 E108 D109G102-L105 WeakPolarHBondContact O-CB 3.5Å; G102-L105 PolarHBondContact O-N 3.24Å; L105-A107 VanDerWaalsContact C-N 3.25Å; L105-A107 PolarHBondContact O-N 2.96Å; L105-E108 PolarHBondContact O-N 3.42Å; L105-E108 VanDerWaalsContact O-N 3.11Å; L105-D109 WeakPolarHBondContact O-CB 3.21Å; L105-D109 PolarHBondContact O-N 2.89Å
106W53.4Low62.1Low192 Ų192121.5 Ų121.573%0.72758%0.583SS**Hα-helixtrans-58.6-35.2179.4-71.1103.4000113.2G102 D103 Q110G102-W106 PolarHBondContact O-N 3.21Å; D103-W106 PolarHBondContact O-N 3.26Å; W106-Q110 PolarHBondContact O-N 3.35Å; W106-Q110 VanDerWaalsContact O-N 3.15Å
107A61.5Low64.3Low54 Ų54113.6 Ų113.645%0.44656%0.563SS.*Hα-helixtrans-67.2-48.9173.200000112.2D103 L105 D109 Q110 E111D103-A107 PolarHBondContact O-N 2.91Å; D103-A107 VanDerWaalsContact O-N 3.15Å; L105-A107 VanDerWaalsContact C-N 3.25Å; L105-A107 PolarHBondContact O-N 2.96Å; A107-D109 VanDerWaalsContact C-N 3.33Å; A107-D109 PolarHBondContact O-N 3.35Å; A107-Q110 PolarHBondContact O-N 3.34Å; A107-E111 PolarHBondContact O-N 2.96Å; A107-E111 VanDerWaalsContact O-N 3.12Å
108E64.9Low66.7Low76 Ų76115 Ų11536%0.35556%0.555SS.*Hα-helixtrans-65.1-34.1179-70.9175.7-158.200112.3R104 L105 E111 K112R104-E108 IonicContact NH1-OE1 3.36Å; R104-E108 PolarHBondContact NH1-OE1 3.44Å; R104-E108 WeakPolarHBondContact O-CG 3.22Å; R104-E108 PolarHBondContact O-N 3.18Å; L105-E108 PolarHBondContact O-N 3.42Å; L105-E108 VanDerWaalsContact O-N 3.11Å; E108-E111 PolarHBondContact O-N 3.2Å; E108-K112 VanDerWaalsContact O-CE 3.25Å; E108-K112 WeakPolarHBondContact O-CE 3.35Å; E108-K112 VanDerWaalsContact O-CG 3.31Å; E108-K112 WeakPolarHBondContact O-CG 3.42Å; E108-K112 PolarHBondContact O-N 2.91Å
109D68.8Low68.8Low76 Ų76111.5 Ų111.541%0.40653%0.534SS..Hα-helixtrans-72.4-37.7176.8-70.5-26.3000112.5L105 A107 E111 K112 E113L105-D109 WeakPolarHBondContact O-CB 3.21Å; L105-D109 PolarHBondContact O-N 2.89Å; A107-D109 VanDerWaalsContact C-N 3.33Å; A107-D109 PolarHBondContact O-N 3.35Å; D109-E111 VanDerWaalsContact C-N 3.29Å; D109-E111 PolarHBondContact O-N 2.93Å; D109-K112 PolarHBondContact O-N 2.95Å; D109-K112 IonicContact OD1-NZ 2.88Å; D109-K112 PolarHBondContact OD1-NZ 3.06Å; D109-E113 PolarHBondContact O-N 2.65Å
110Q70.5Confident70.9Confident101 Ų101110.1 Ų110.147%0.47253%0.531SS..Hα-helixtrans-62.9-33.2169-86.5-164.642.100113.1W106 A107 K114W106-Q110 PolarHBondContact O-N 3.35Å; W106-Q110 VanDerWaalsContact O-N 3.15Å; A107-Q110 PolarHBondContact O-N 3.34Å; Q110-K114 WeakPolarHBondContact O-CB 3.39Å; Q110-K114 WeakPolarHBondContact O-CD 3.47Å; Q110-K114 WeakPolarHBondContact O-CE 3.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.25Å; Q110-K114 PolarHBondContact O-N 3.14Å
111E75.6Confident72.8Confident139 Ų139109.4 Ų109.465%0.6553%0.527SS*.Hα-helixtrans-70.8-37.3174.8-72.7-170.5168.500111.9A107 E108 D109 K114 E115A107-E111 PolarHBondContact O-N 2.96Å; A107-E111 VanDerWaalsContact O-N 3.12Å; E108-E111 PolarHBondContact O-N 3.2Å; D109-E111 VanDerWaalsContact C-N 3.29Å; D109-E111 PolarHBondContact O-N 2.93Å; E111-K114 PolarHBondContact O-N 3.05Å; E111-E115 PolarHBondContact O-N 3.21Å
112K76.2Confident74.7Confident95 Ų95110.7 Ų110.741%0.41352%0.515SS..Hα-helixtrans-61.5-48.2171.6-66.8159.8-147.9158.90111.2E108 D109 K114 E115 E116E108-K112 VanDerWaalsContact O-CE 3.25Å; E108-K112 WeakPolarHBondContact O-CE 3.35Å; E108-K112 VanDerWaalsContact O-CG 3.31Å; E108-K112 WeakPolarHBondContact O-CG 3.42Å; E108-K112 PolarHBondContact O-N 2.91Å; D109-K112 PolarHBondContact O-N 2.95Å; D109-K112 IonicContact OD1-NZ 2.88Å; D109-K112 PolarHBondContact OD1-NZ 3.06Å; K112-K114 VanDerWaalsContact C-N 3.32Å; K112-K114 PolarHBondContact O-N 3.16Å; K112-E115 PolarHBondContact O-N 3.04Å; K112-E115 VanDerWaalsContact O-N 3.13Å; K112-E116 WeakPolarHBondContact O-CB 3.39Å; K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 2.88Å
113E82Confident76.5Confident134 Ų134113.5 Ų113.563%0.62652%0.521SS*.Hα-helixtrans-58.9-42.4176.8-173.9-176.9-160.100111.7D109 E116 S117D109-E113 PolarHBondContact O-N 2.65Å; E113-E116 PolarHBondContact O-N 3.28Å; E113-S117 WeakPolarHBondContact O-CB 3.4Å; E113-S117 PolarHBondContact O-N 2.93Å
114K83.8Confident78.3Confident113 Ų113115.1 Ų115.149%0.49152%0.522SS..Hα-helixtrans-62.5-44174.6-71.3158.6-160.2163.60111.4Q110 E111 K112 S117 Y118Q110-K114 WeakPolarHBondContact O-CB 3.39Å; Q110-K114 WeakPolarHBondContact O-CD 3.47Å; Q110-K114 WeakPolarHBondContact O-CE 3.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.25Å; Q110-K114 PolarHBondContact O-N 3.14Å; E111-K114 PolarHBondContact O-N 3.05Å; K112-K114 VanDerWaalsContact C-N 3.32Å; K112-K114 PolarHBondContact O-N 3.16Å; K114-S117 PolarHBondContact O-N 3.44Å; K114-S117 PolarHBondContact O-OG 3.46Å; K114-Y118 PolarHBondContact O-N 2.88Å; K114-Y118 VanDerWaalsContact O-N 3.15Å
115E82.6Confident79.9Confident90 Ų90110.8 Ų110.842%0.42151%0.51SS..Hα-helixtrans-66.4-38.7176.8-146.2-141.2132.200112.2E111 K112 Y118 R119E111-E115 PolarHBondContact O-N 3.21Å; K112-E115 PolarHBondContact O-N 3.04Å; K112-E115 VanDerWaalsContact O-N 3.13Å; E115-Y118 PolarHBondContact O-N 3.49Å; E115-R119 VanDerWaalsContact CD-NE 3.34Å; E115-R119 VanDerWaalsContact O-CG 3.26Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.95Å; E115-R119 IonicContact OE1-CZ 2.63Å; E115-R119 IonicContact OE1-NE 2.74Å; E115-R119 PolarHBondContact OE1-NE 3.39Å; E115-R119 IonicContact OE1-NH2 2.9Å; E115-R119 PolarHBondContact OE1-NH2 3.42Å; E115-R119 IonicContact OE2-CZ 2.78Å; E115-R119 IonicContact OE2-NE 3.67Å; E115-R119 IonicContact OE2-NH2 2.79Å; E115-R119 PolarHBondContact OE2-NH2 2.91Å
116E86.4Confident81.5Confident115 Ų115113.3 Ų113.354%0.53751%0.512SS..Hα-helixtrans-66.8-40.6176-73.4-176.5174.100112.1K112 E113 Y118 R119 L120K112-E116 WeakPolarHBondContact O-CB 3.39Å; K112-E116 WeakPolarHBondContact O-CG 3.49Å; K112-E116 PolarHBondContact O-N 2.88Å; E113-E116 PolarHBondContact O-N 3.28Å; E116-Y118 PolarHBondContact O-N 3.29Å; E116-R119 PolarHBondContact O-N 3.44Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 PolarHBondContact O-N 3.47Å
117S88.6Confident83.2Confident63 Ų63109.6 Ų109.644%0.44150%0.503SS..Hα-helixtrans-59.5-36.1171.6840000112E113 K114 R121E113-S117 WeakPolarHBondContact O-CB 3.4Å; E113-S117 PolarHBondContact O-N 2.93Å; K114-S117 PolarHBondContact O-N 3.44Å; K114-S117 PolarHBondContact O-OG 3.46Å; S117-R121 VanDerWaalsContact O-CB 3.3Å; S117-R121 WeakPolarHBondContact O-CB 3.41Å; S117-R121 PolarHBondContact O-N 3.44Å
118Y89.4Confident84.6Confident130 Ų130112.4 Ų112.451%0.5150%0.502SS..Hα-helixtrans-76.2-35.2176.4-178.6-113.2000112.9K114 E115 E116 R122K114-Y118 PolarHBondContact O-N 2.88Å; K114-Y118 VanDerWaalsContact O-N 3.15Å; E115-Y118 PolarHBondContact O-N 3.49Å; E116-Y118 PolarHBondContact O-N 3.29Å; Y118-R122 HydrophobicContact CE2-CG 4.32Å; Y118-R122 WeakPolarHBondContact O-CG 3.37Å; Y118-R122 PolarHBondContact O-N 3.46Å; Y118-R122 VanDerWaalsContact O-N 3.11Å
119R90.1Very high85.5Confident111 Ų111113 Ų11342%0.41951%0.507SS..Hα-helixtrans-62.1-47.8169.4-69.8165.3-178.7-175.73.9110.3E115 E116 R122 L123E115-R119 VanDerWaalsContact CD-NE 3.34Å; E115-R119 VanDerWaalsContact O-CG 3.26Å; E115-R119 WeakPolarHBondContact O-CG 3.46Å; E115-R119 PolarHBondContact O-N 2.95Å; E115-R119 IonicContact OE1-CZ 2.63Å; E115-R119 IonicContact OE1-NE 2.74Å; E115-R119 PolarHBondContact OE1-NE 3.39Å; E115-R119 IonicContact OE1-NH2 2.9Å; E115-R119 PolarHBondContact OE1-NH2 3.42Å; E115-R119 IonicContact OE2-CZ 2.78Å; E115-R119 IonicContact OE2-NE 3.67Å; E115-R119 IonicContact OE2-NH2 2.79Å; E115-R119 PolarHBondContact OE2-NH2 2.91Å; E116-R119 PolarHBondContact O-N 3.44Å; R119-R122 PolarHBondContact O-N 2.9Å; R119-L123 WeakPolarHBondContact O-CG 3.45Å; R119-L123 PolarHBondContact O-N 3.05Å
120L93.1Very high86.2Confident120 Ų120112.4 Ų112.463%0.62852%0.518SS*.Hα-helixtrans-62.9-45.5178.3-166.275.2000111.8E116 R122 L123 K124E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 PolarHBondContact O-N 3.47Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.29Å; L120-L123 WeakPolarHBondContact O-CB 3.23Å; L120-L123 PolarHBondContact O-N 2.69Å; L120-K124 PolarHBondContact O-N 3.45Å
121R91.8Very high86.8Confident186 Ų186114.7 Ų114.770%0.70253%0.529SS*.Hα-helixtrans-58-41.2175-170.5179.6-62.9-162.20.6112.1S117 L123 E125S117-R121 VanDerWaalsContact O-CB 3.3Å; S117-R121 WeakPolarHBondContact O-CB 3.41Å; S117-R121 PolarHBondContact O-N 3.44Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 PolarHBondContact O-N 2.85Å
122R92.8Very high87.1Confident103 Ų103113.3 Ų113.339%0.38953%0.525SS..Hα-helixtrans-72.5-20.6175-72.7-170.8-61.8156.4-0.1114.2Y118 R119 L120 R126Y118-R122 HydrophobicContact CE2-CG 4.32Å; Y118-R122 WeakPolarHBondContact O-CG 3.37Å; Y118-R122 PolarHBondContact O-N 3.46Å; Y118-R122 VanDerWaalsContact O-N 3.11Å; R119-R122 PolarHBondContact O-N 2.9Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.29Å; R122-R126 VanDerWaalsContact O-CD 3.24Å; R122-R126 WeakPolarHBondContact O-CD 3.49Å; R122-R126 VanDerWaalsContact O-CG 3.24Å; R122-R126 WeakPolarHBondContact O-CG 3.49Å
123L90.8Very high87.3Confident98 Ų98110.7 Ų110.751%0.51353%0.525SS..Hα-helixtrans-76.9-50.8170.2-72.1167.9000110.3R119 L120 R121 E125 R126 E127R119-L123 WeakPolarHBondContact O-CG 3.45Å; R119-L123 PolarHBondContact O-N 3.05Å; L120-L123 WeakPolarHBondContact O-CB 3.23Å; L120-L123 PolarHBondContact O-N 2.69Å; R121-L123 VanDerWaalsContact C-N 3.33Å; L123-E125 VanDerWaalsContact C-N 3.26Å; L123-E125 PolarHBondContact O-N 3.25Å; L123-R126 WeakPolarHBondContact O-CA 3.45Å; L123-R126 WeakPolarHBondContact O-CB 3.38Å; L123-R126 PolarHBondContact O-N 3.11Å; L123-E127 PolarHBondContact O-N 3.05Å
124K91.6Very high87Confident148 Ų148106.2 Ų106.264%0.64351%0.511SS*.Hα-helixtrans-60.7-32.8177.6-169.8166.3-171.8171.30113.2L120 E127 R128L120-K124 PolarHBondContact O-N 3.45Å; K124-E127 WeakPolarHBondContact O-CB 3.46Å; K124-E127 PolarHBondContact O-N 3.34Å; K124-R128 WeakPolarHBondContact O-CB 3.16Å; K124-R128 PolarHBondContact O-N 3.26Å
125E88.8Confident86.3Confident80 Ų80105.1 Ų105.137%0.37452%0.515SS..Hα-helixtrans-70.2-32.8173.7-177.958-167.400112.7R121 L123 R128 I129R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 PolarHBondContact O-N 2.85Å; L123-E125 VanDerWaalsContact C-N 3.26Å; L123-E125 PolarHBondContact O-N 3.25Å; E125-R128 IonicContact OE1-CZ 2.86Å; E125-R128 IonicContact OE1-NE 3.47Å; E125-R128 PolarHBondContact OE1-NE 2.85Å; E125-R128 IonicContact OE1-NH2 2.7Å; E125-R128 PolarHBondContact OE1-NH2 3.4Å; E125-R128 IonicContact OE2-CZ 2.74Å; E125-R128 IonicContact OE2-NE 3.72Å; E125-R128 PolarHBondContact OE2-NE 2.9Å; E125-R128 IonicContact OE2-NH2 3.63Å; E125-I129 HydrophobicContact CG-CD1 4.08Å; E125-I129 WeakPolarHBondContact O-CB 3.24Å; E125-I129 WeakPolarHBondContact O-CD1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.4Å; E125-I129 PolarHBondContact O-N 2.59Å
126R88.8Confident85.8Confident155 Ų155110.1 Ų110.159%0.58554%0.539SS*.Hα-helixtrans-72.1-37.1173.2-69.8163.2-179160.1-3112.1R122 L123 I129 G130R122-R126 VanDerWaalsContact O-CD 3.24Å; R122-R126 WeakPolarHBondContact O-CD 3.49Å; R122-R126 VanDerWaalsContact O-CG 3.24Å; R122-R126 WeakPolarHBondContact O-CG 3.49Å; L123-R126 WeakPolarHBondContact O-CA 3.45Å; L123-R126 WeakPolarHBondContact O-CB 3.38Å; L123-R126 PolarHBondContact O-N 3.11Å; R126-I129 PolarHBondContact O-N 3.5Å; R126-G130 PolarHBondContact O-N 2.88Å
127E89.5Confident85.2Confident115 Ų115109.8 Ų109.854%0.53755%0.545SS..Hα-helixtrans-59.1-53.7172-178.4173.6-125.700109.8L123 K124 I129 G130 E131L123-E127 PolarHBondContact O-N 3.05Å; K124-E127 WeakPolarHBondContact O-CB 3.46Å; K124-E127 PolarHBondContact O-N 3.34Å; E127-I129 VanDerWaalsContact C-N 3.32Å; E127-I129 PolarHBondContact O-N 2.81Å; E127-G130 CarbonylContact O-C 3.54Å; E127-G130 WeakPolarHBondContact O-CA 3.42Å; E127-G130 PolarHBondContact O-N 3.16Å; E127-E131 WeakPolarHBondContact O-CG 3.45Å; E127-E131 PolarHBondContact O-N 3Å
128R91Very high84.4Confident113 Ų113116.7 Ų116.743%0.42656%0.561SS.*Hα-helixtrans-54.8-41.2173.9-167.8-170.874.981.62.3113.6K124 E125 G130 E131 L132K124-R128 WeakPolarHBondContact O-CB 3.16Å; K124-R128 PolarHBondContact O-N 3.26Å; E125-R128 IonicContact OE1-CZ 2.86Å; E125-R128 IonicContact OE1-NE 3.47Å; E125-R128 PolarHBondContact OE1-NE 2.85Å; E125-R128 IonicContact OE1-NH2 2.7Å; E125-R128 PolarHBondContact OE1-NH2 3.4Å; E125-R128 IonicContact OE2-CZ 2.74Å; E125-R128 IonicContact OE2-NE 3.72Å; E125-R128 PolarHBondContact OE2-NE 2.9Å; E125-R128 IonicContact OE2-NH2 3.63Å; R128-G130 VanDerWaalsContact C-N 3.32Å; R128-E131 PolarHBondContact O-N 3.44Å; R128-L132 HydrophobicContact CG-CD1 3.93Å; R128-L132 WeakPolarHBondContact O-CB 3.41Å; R128-L132 WeakPolarHBondContact O-CG 3.21Å; R128-L132 PolarHBondContact O-N 3.08Å
129I84.5Confident83.6Confident89 Ų89113.3 Ų113.346%0.45657%0.566SS.*Hα-helixtrans-70.4-28.9175.7-70.5165.2000111.7E125 R126 E127 G133E125-I129 HydrophobicContact CG-CD1 4.08Å; E125-I129 WeakPolarHBondContact O-CB 3.24Å; E125-I129 WeakPolarHBondContact O-CD1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.4Å; E125-I129 PolarHBondContact O-N 2.59Å; R126-I129 PolarHBondContact O-N 3.5Å; E127-I129 VanDerWaalsContact C-N 3.32Å; E127-I129 PolarHBondContact O-N 2.81Å; I129-G133 VanDerWaalsContact O-CA 3.22Å; I129-G133 WeakPolarHBondContact O-CA 3.33Å; I129-G133 PolarHBondContact O-N 3.03Å
130G81.5Confident82.9Confident63 Ų63115.8 Ų115.865%0.64959%0.586SS**Hα-helixtrans-72.2-41.517200000112.9R126 E127 R128R126-G130 PolarHBondContact O-N 2.88Å; E127-G130 CarbonylContact O-C 3.54Å; E127-G130 WeakPolarHBondContact O-CA 3.42Å; E127-G130 PolarHBondContact O-N 3.16Å; R128-G130 VanDerWaalsContact C-N 3.32Å
131E83.6Confident82Confident149 Ų149115.1 Ų115.170%0.69659%0.592SS**Hα-helixtrans-67.2-48178-68.9175.2146.200112.6E127 R128E127-E131 WeakPolarHBondContact O-CG 3.45Å; E127-E131 PolarHBondContact O-N 3Å; R128-E131 PolarHBondContact O-N 3.44Å
132L81.9Confident81.2Confident110 Ų110112.3 Ų112.358%0.57660%0.598SS**Hα-helixtrans-79.5-20.8179.5-62.3173.8000112.7R128R128-L132 HydrophobicContact CG-CD1 3.93Å; R128-L132 WeakPolarHBondContact O-CB 3.41Å; R128-L132 WeakPolarHBondContact O-CG 3.21Å; R128-L132 PolarHBondContact O-N 3.08Å
133G79.9Confident80.2Confident39 Ų39116.7 Ų116.740%0.40262%0.62SS.*  trans59.2-154-171.100000112.8I129I129-G133 VanDerWaalsContact O-CA 3.22Å; I129-G133 WeakPolarHBondContact O-CA 3.33Å; I129-G133 PolarHBondContact O-N 3.03Å
134A77.4Confident78.7Confident41 Ų41121.3 Ų121.334%0.33964%0.636SS.*  trans-147.873.116700000110.5E136 V137 W138A134-E136 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact O-N 3.14Å; A134-V137 HydrophobicContact CB-CB 4.18Å; A134-V137 HydrophobicContact CB-CG2 4.28Å; A134-V137 PolarHBondContact O-N 2.98Å; A134-W138 PolarHBondContact O-N 2.72Å
135P69.2Low77.7Confident89 Ų89119.4 Ų119.458%0.57864%0.639SS**THydrogen-bonded Turntrans-61.3-22.8-175-23.234.8000114.5W138 G139P135-W138 CarbonylContact O-C 3.4Å; P135-G139 WeakPolarHBondContact O-CA 3.37Å; P135-G139 PolarHBondContact O-N 2.81Å
136E71.8Confident76.3Confident196 Ų196124.2 Ų124.292%0.91666%0.661SS**THydrogen-bonded Turntrans-72.9-29.3175.5-172.1178.2-169.200112.7A134A134-E136 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact O-N 3.14Å
137V73.8Confident75.1Confident108 Ų108122.7 Ų122.766%0.65567%0.671SS**THydrogen-bonded Turntrans-94.6-38.6178.4-179.30000110.9A134A134-V137 HydrophobicContact CB-CB 4.18Å; A134-V137 HydrophobicContact CB-CG2 4.28Å; A134-V137 PolarHBondContact O-N 2.98Å
138W71.8Confident73.2Confident207 Ų207125.1 Ų125.178%0.78469%0.688SS**SBendtrans-114.582.4176.9-53.2102.1000108.2A134 P135A134-W138 PolarHBondContact O-N 2.72Å; P135-W138 CarbonylContact O-C 3.4Å
139G72.6Confident71.7Confident60 Ų60125.8 Ų125.862%0.61971%0.71SS**PPolyproline II helixtrans-53.5156.3178.900000112.9P135 S141P135-G139 WeakPolarHBondContact O-CA 3.37Å; P135-G139 PolarHBondContact O-N 2.81Å; G139-S141 PolarHBondContact O-N 2.93Å
140L74.5Confident70.3Confident162 Ų162128.8 Ų128.885%0.84873%0.727SS**PPolyproline II helixtrans-47.4137-177-59.6178000111.8
141S73.5Confident69Low107 Ų107134.4 Ų134.475%0.74874%0.737SS**PPolyproline II helixtrans-47.6137.1175.4-74.70000110.9G139 K143G139-S141 PolarHBondContact O-N 2.93Å; S141-K143 PolarHBondContact O-N 3.49Å
142P76.4Confident67Low127 Ų127136.1 Ų136.183%0.82574%0.744SS**PPolyproline II helixtrans-50.3126.5176.5-27.935.1000110.7
143K71Confident65.4Low194 Ų194137.2 Ų137.284%0.84376%0.756SS**PPolyproline II helixtrans-60.9151.8167.6-66.8-177.2178.3-178.90108.4S141S141-K143 PolarHBondContact O-N 3.49Å
144F60.1Low63.6Low195 Ų195140.6 Ų140.686%0.85577%0.77SS**PPolyproline II helixtrans-51.7139.9176.5-121.6-101.4000109.9E146F144-E146 PolarHBondContact O-N 2.82Å
145P69.6Low62Low108 Ų108142.9 Ų142.970%0.70179%0.789SS**PPolyproline II helixtrans-58.9139.6168.127.8-34000108.8
146E60.6Low61Low182 Ų182147.4 Ų147.485%0.8580%0.803SS**PPolyproline II helixtrans-63.8145.7172.6-66177.4156.600109.2F144F144-E146 PolarHBondContact O-N 2.82Å
147P63.2Low59.7Low122 Ų122145 Ų14579%0.79280%0.796SS**PPolyproline II helixtrans-62.8138.7178.526.7-33.9000110.5S149P147-S149 PolarHBondContact O-N 3.25Å; P147-S149 VanDerWaalsContact O-N 3.16Å
148D49.2Very low58.2Low166 Ų166149.4 Ų149.489%0.88881%0.81SS**PPolyproline II helixtrans-60.4116.6-176.5-117.3-29.6000110.7D150D148-D150 VanDerWaalsContact C-N 3.28Å; D148-D150 PolarHBondContact O-N 3.48Å
149S59.3Low56.8Low127 Ų127145.2 Ų145.289%0.88881%0.807SS**  trans-89.256.7-168.9-1700000112.3P147P147-S149 PolarHBondContact O-N 3.25Å; P147-S149 VanDerWaalsContact O-N 3.16Å
150D55.2Low55.2Low152 Ų152151.3 Ų151.381%0.81382%0.816SS**  trans-132.138.5-179.9-160.421.8000112.7D148D148-D150 VanDerWaalsContact C-N 3.28Å; D148-D150 PolarHBondContact O-N 3.48Å
151E55.4Low53Low182 Ų182149.8 Ų149.885%0.8581%0.809SS**  trans-110.364.7168.6-166.7170.9-162.700110.4
152H40.3Very low51.1Low184 Ų184151.5 Ų151.585%0.85281%0.805SS**  trans-141.173.9171.7-113.447.1000113P154H152-P154 WeakPolarHBondContact O-CD 3.33Å
153T48.3Very low49Very low134 Ų134153.6 Ų153.682%0.82280%0.801SS**PPolyproline II helixtrans-82.5121.4156.950.50000110.5
154P42.4Very low47.2Very low109 Ų109149.7 Ų149.771%0.70880%0.798SS**PPolyproline II helixtrans-82.6121.3147.231.2-26.3000108.5H152H152-P154 WeakPolarHBondContact O-CD 3.33Å
155A44.8Very low45.9Very low89 Ų89146 Ų14674%0.73680%0.797SS**PPolyproline II helixtrans-87.6120.3165.100000108.3
156E47.1Very low43.9Very low184 Ų184146.4 Ų146.486%0.8680%0.802SS**  trans-92.4114.6169.5-70.4-71.6140.300108.5
157D43.8Very low42.3Very low147 Ų147142.1 Ų142.179%0.78679%0.792SS**  trans-76.1129.9174.3-81.3-55.2000111
158E43Very low40.6Very low200 Ų200141.4 Ų141.494%0.93578%0.781SS**  trans-130141152.4-88.2-130.2129.100111.4
159V43.1Very low39.6Very low119 Ų119141.6 Ų141.672%0.72178%0.775SS**  trans-114.6132.4-156.5-179.90000111.7
160K37.5Very low38.3Very low188 Ų188141.3 Ų141.382%0.81777%0.768SS**  trans-166.5131.1141.3-103.6136.9-160.3158.40117.3
161N29.7Very low37.1Very low129 Ų129141.8 Ų141.869%0.6977%0.77SS**  trans72.193.1137.9-66.4-8.2000122.7
162Q32.9Very low35.9Very low144 Ų144139.5 Ų139.567%0.67376%0.76SS**  60.2117.4114.3-69.3-165.155.400121.9
163K33.5Very low35.6Very low171 Ų171137.9 Ų137.974%0.74376%0.757SS**  91.9148.8125.3-82.6178.9178.2151.60122.2
164S32.3Very low35Very low111 Ų111137.6 Ų137.678%0.77675%0.745SS**  trans66.1105.8154.639.80000119.1
165S31.9Very low34.8Very low118 Ų118143.4 Ų143.483%0.82575%0.753SS**  trans-56.8138.7141.252.20000112.3
166S27.6Very low34.2Very low116 Ų116144 Ų14481%0.81175%0.751SS**  -163163122.272.20000111.7
167S28.4Very low33.7Very low92 Ų92145 Ų14564%0.64375%0.753SS**  trans-73.5-179.9156.461.40000110.2
168D26.9Very low33.2Very low107 Ų107144.5 Ų144.557%0.57276%0.755SS**  cis-163.8163.69.4-136.2-28.6000111.3
169F28.3Very low32.5Very low171 Ų171140.1 Ų140.175%0.7575%0.747SS**  trans55.4167.3157.2-56.7-42.6000119.7
170T31.3Very low32Very low121 Ų121142.4 Ų142.474%0.74275%0.749SS**  cis-159.5149.6-27.5250000108.4
171N30.1Very low31.8Very low162 Ų162137.4 Ų137.487%0.86674%0.738SS**  trans-161.6160.6130.2-133.2-31.3000112.6
172E30.5Very low32.2Very low134 Ų134138 Ų13863%0.62675%0.746SS**  trans-98.6161.4176.2-63-172101.800112.2K174E172-K174 VanDerWaalsContact CD-NZ 3.25Å; E172-K174 WeakPolarHBondContact OE1-CE 3.4Å; E172-K174 IonicContact OE1-NZ 2.72Å; E172-K174 PolarHBondContact OE1-NZ 3.23Å; E172-K174 WeakPolarHBondContact OE2-CE 3.41Å; E172-K174 IonicContact OE2-NZ 3.23Å; E172-K174 PolarHBondContact OE2-NZ 3.24Å
173D33.4Very low32.4Very low149 Ų149140.2 Ų140.280%0.79775%0.754SS**  -152.6163.7105.7-140.6-23.4000113.3
174K37.4Very low32.6Very low128 Ų128144.2 Ų144.256%0.55776%0.764SS**  trans-81.2175179.1-61.690.1168.1178.60110E172E172-K174 VanDerWaalsContact CD-NZ 3.25Å; E172-K174 WeakPolarHBondContact OE1-CE 3.4Å; E172-K174 IonicContact OE1-NZ 2.72Å; E172-K174 PolarHBondContact OE1-NZ 3.23Å; E172-K174 WeakPolarHBondContact OE2-CE 3.41Å; E172-K174 IonicContact OE2-NZ 3.23Å; E172-K174 PolarHBondContact OE2-NZ 3.24Å
175R37.2Very low33Very low232 Ų232147.9 Ų147.988%0.87577%0.766SS**  cis-162.3160.524.5-145.7152.1-168.7179.23.8112.6
176S32.8Very low33.3Very low101 Ų101153.4 Ų153.471%0.70677%0.769SS**  trans-55.6161.6-18052.80000118.3
177K36.5Very low33.9Very low205 Ų205156.7 Ų156.789%0.89177%0.768SS**  trans-158130.9130.2-108.1155.1-171.1173.50115.1
178T33Very low34.7Very low136 Ų136162.5 Ų162.583%0.83478%0.782SS**  trans-74.317016036.20000110.3
179S29.2Very low35.4Very low109 Ų109166.6 Ų166.676%0.76280%0.795SS**  cis-149.2-178.4-4.151.10000107
180H31.9Very low35.9Very low167 Ų167165.5 Ų165.577%0.77380%0.796SS**  -178.416959.2174.5-92.2000109.8
181S33.2Very low36.1Very low83 Ų83165.6 Ų165.658%0.5880%0.801SS**  trans-77.5165.9-178.279.30000116
182T38.2Very low36.7Very low140 Ų140166.7 Ų166.786%0.85980%0.799SS**  -153.5152.3125.130.50000111.9
183K37.7Very low37.2Very low192 Ų192171.8 Ų171.884%0.83581%0.812SS**  trans-91.2135.9179.1-67.4162.3177.9155.70111.8
184R37.3Very low37.6Very low254 Ų254174.4 Ų174.496%0.95882%0.816SS**  trans-136.9135.7143.7-73.7-162.2168.3-176.8-2.7112.4
185K40.8Very low37.5Very low188 Ų188175.2 Ų175.282%0.81782%0.822SS**  trans-99.5145.4-179.2-55.7170.7179175.10110
186R37.2Very low37.7Very low234 Ų234175.8 Ų175.888%0.88382%0.824SS**  trans-173107137.4-102.7151.7-168.6-152.13116.5
187K40Very low37.9Very low186 Ų186178 Ų17881%0.80982%0.821SS**  trans46.1106.4132.8-58.2178.4-179.3177.30120.3
188K46.9Very low37.7Very low213 Ų213177.5 Ų177.593%0.92682%0.815SS**  trans-57.4136.2150.3-65.9-179176.6-178.40110.8
189K40Very low37.8Very low193 Ų193175.5 Ų175.584%0.83981%0.806SS**  trans-150.3154.2156.9-81.6-150.5175-174.20113.5
190L38.9Very low38Very low149 Ų149177 Ų17778%0.7881%0.805SS**  trans-53.7142.8-172.2-72.556.8000115
191S36.5Very low38.3Very low122 Ų122176.1 Ų176.185%0.85381%0.806SS**  trans-69.3143.4154.253.70000110.9
192K42.9Very low38.3Very low186 Ų186179.5 Ų179.581%0.80982%0.818SS**  trans-135.9113.5173.2-89.4-171176-179.20111.2
193R40.1Very low38.2Very low240 Ų240178.4 Ų178.491%0.90682%0.816SS**  trans-28.7128.1161.1176.7-175.4-178.11773.9113.8
194K41.4Very low38.1Very low204 Ų204176.9 Ų176.989%0.88782%0.816SS**  trans-125.2149.2150-79.1-171.8173.6-177.20108.3
195H36.5Very low38Very low146 Ų146170.5 Ų170.568%0.67681%0.811SS**  trans-99.5151168.793.9-3.1000109.4
196R40.5Very low37.8Very low243 Ų243168.6 Ų168.692%0.91781%0.81SS**  trans-116.4130.8160.2-166.1170.4-174164.70.4106.6
197K37.4Very low37.8Very low149 Ų149163.1 Ų163.165%0.64881%0.807SS**  trans-87.8145.5160.9-78.1-175.2167.5-159.40107.5
198Y31.7Very low37.6Very low193 Ų193160.4 Ų160.476%0.75780%0.802SS**  trans-124.7165.3138.7-158.7-110.8000107.3D200Y198-D200 VanDerWaalsContact CD1-OD2 3.3Å; Y198-D200 WeakPolarHBondContact CD1-OD2 3.3Å; Y198-D200 WeakPolarHBondContact CE1-OD2 3.37Å
199C34.8Very low37.1Very low95 Ų95158.3 Ų158.364%0.64280%0.799SS**  trans-134.3128.4176.9-56.70000106.3
200D33.6Very low36.8Very low139 Ų139156.5 Ų156.574%0.74379%0.793SS**  trans-123.6152.5159.3-70.1-63000107.4Y198Y198-D200 VanDerWaalsContact CD1-OD2 3.3Å; Y198-D200 WeakPolarHBondContact CD1-OD2 3.3Å; Y198-D200 WeakPolarHBondContact CE1-OD2 3.37Å
201N38.8Very low36.4Very low149 Ų149155.1 Ų155.180%0.79780%0.796SS**  trans-155.6106-166.1172101.4000108.2
202D33.5Very low36.2Very low155 Ų155154.5 Ų154.583%0.82979%0.792SS**  trans-151.7161.9177.5-88.5-50.2000111.3
203S35.2Very low35.8Very low117 Ų117151.2 Ų151.282%0.81879%0.792SS**  trans69.6110.8173.7-630000118.5
204D36Very low35.4Very low159 Ų159143.1 Ų143.185%0.8578%0.783SS**  trans-62.1162.3171.6-50.6-88.9000115.2
205S34.8Very low35.5Very low121 Ų121137.6 Ų137.685%0.84678%0.784SS**  trans-158.5124.7139.2-174.20000109.3
206D37.6Very low36Very low147 Ų147136.2 Ų136.279%0.78678%0.782SS**  trans-69.9148.7-176.8-81.2-52.3000114.6
207S36.7Very low36.2Very low120 Ų120136.3 Ų136.384%0.83978%0.782SS**  trans-173.7115.1138.335.10000111.1
208D35Very low36.5Very low128 Ų128138.7 Ų138.768%0.68479%0.792SS**  trans-78.7147.9174.5-83.1-61.3000112.9
209I37.9Very low37.1Very low170 Ų170137.3 Ų137.387%0.87279%0.79SS**  trans-168.1137.4135.2-99.1153.8000108.2
210H33Very low37.4Very low155 Ų155141.5 Ų141.572%0.71880%0.798SS**  trans-91.2165.3-164.9-61.5-57.1000116
211S31.3Very low38Very low119 Ų119143.6 Ų143.683%0.83280%0.8SS**  trans82.7135.2152.8-67.50000118.6
212S32.3Very low38.4Very low110 Ų110141.2 Ų141.277%0.76979%0.791SS**  cis-159.7-176.4-4.865.80000112.7
213S33.4Very low39.1Very low117 Ų117142.3 Ų142.382%0.81879%0.789SS**  trans84.5110.6159.5-158.30000120.7
214G31.9Very low39.6Very low70 Ų70145.9 Ų145.972%0.72279%0.789SS**  80.168.4107.900000118.3
215G43.4Very low40.2Very low87 Ų87146.9 Ų146.990%0.89779%0.786SS**  trans-71.5126.9-174.800000116.8
216D47Very low40.8Very low118 Ų118146.9 Ų146.963%0.63177%0.773SS**  trans-121.826.7173.7-158.69000114.7
217R44.3Very low41.3Very low245 Ų245148.3 Ų148.393%0.92577%0.772SS**  trans-89.2-2-175.7-71.3-176.1174.5-178.7-0.6115.9
218K45.2Very low41.9Very low198 Ų198151.4 Ų151.486%0.86177%0.771SS**SBendtrans-95.5-23.2-177.1-76.3179.8179.2171.20115.2F220K218-F220 PolarHBondContact O-N 2.93Å
219K43.7Very low42.7Very low164 Ų164153.7 Ų153.771%0.71377%0.774SS**THydrogen-bonded Turntrans-75.5-24.6-168.4-137.3167.2-170.4169.40115.4T222K219-T222 PolarHBondContact O-OG1 3.12Å
220F41.2Very low43.4Very low184 Ų184152.4 Ų152.481%0.80776%0.762SS**Hα-helixtrans-81.1-22.7-174.1-96.8-89.7000116K218 T222K218-F220 PolarHBondContact O-N 2.93Å; F220-T222 PolarHBondContact O-N 3.36Å
221K44.8Very low44Very low183 Ų183152.3 Ų152.380%0.79676%0.762SS**Hα-helixtrans-78-15.9-173.4-73.5-178.7178.2172.20114.3
222T48.5Very low45Very low99 Ų99156 Ų15661%0.60776%0.757SS**Hα-helixtrans-82.3-51.3-177.852.20000112.9K219 F220 K224 K225K219-T222 PolarHBondContact O-OG1 3.12Å; F220-T222 PolarHBondContact O-N 3.36Å; T222-K224 PolarHBondContact O-N 2.9Å; T222-K225 WeakPolarHBondContact O-CB 3.27Å; T222-K225 PolarHBondContact O-N 2.85Å
223K47.5Very low46Very low178 Ų178153.8 Ų153.877%0.77475%0.746SS**Hα-helixtrans-58-25.1-175.8-71.7-173.2176.3-179.40114.4K225K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.3Å
224K46Very low46.9Very low191 Ų191156.6 Ų156.683%0.8374%0.744SS**Hα-helixtrans-74.2-17.1178.1-160.7165.8-174.9171.20113.8T222T222-K224 PolarHBondContact O-N 2.9Å
225K47.8Very low47.8Very low181 Ų181160 Ų16079%0.78774%0.741SS**Hα-helixtrans-84.9-26.2-175.7-142.6173.5-173.3179.60113.3T222 K223T222-K225 WeakPolarHBondContact O-CB 3.27Å; T222-K225 PolarHBondContact O-N 2.85Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.3Å
226E48.3Very low48.3Very low120 Ų120161.6 Ų161.656%0.56173%0.728SS**Hα-helixtrans-82.6-46.8-171.8-156.9-156.113600113.8K228 K229 K230E226-K228 PolarHBondContact O-N 2.91Å; E226-K229 PolarHBondContact O-N 3.26Å; E226-K230 IonicContact OE1-NZ 3.19Å
227K48.2Very low48.6Very low178 Ų178164.2 Ų164.277%0.77473%0.734SS**Hα-helixtrans-53.9-28.3-179.6-75.5-169.7175.3-175.40113K229K227-K229 PolarHBondContact O-N 3.18Å
228K49.9Very low48.7Very low185 Ų185160.3 Ų160.380%0.80472%0.724SS**Hα-helixtrans-74.4-16.1179.6-153.2168-174.1174.90114.3E226E226-K228 PolarHBondContact O-N 2.91Å
229K51.8Low48.6Very low175 Ų175159.2 Ų159.276%0.76172%0.719SS**Hα-helixtrans-77.9-43.4175-108.1-176.3175.8-1760112.5E226 K227 H231 R232E226-K229 PolarHBondContact O-N 3.26Å; K227-K229 PolarHBondContact O-N 3.18Å; K229-H231 PolarHBondContact O-N 3.39Å; K229-R232 PolarHBondContact O-N 2.89Å
230K52.3Low48.6Very low143 Ų143161.8 Ų161.862%0.62272%0.724SS**Hα-helixtrans-64.5-33.4-171.6-74.9177.8175.71650114.2E226E226-K230 IonicContact OE1-NZ 3.19Å
231H46.2Very low48.7Very low153 Ų153162.7 Ų162.771%0.70872%0.722SS**Hα-helixtrans-69.2-31.9178-94.9-98.1000114.6K229 A233K229-H231 PolarHBondContact O-N 3.39Å; H231-A233 VanDerWaalsContact C-N 3.34Å; H231-A233 PolarHBondContact O-N 3.19Å
232R50.7Low48.6Very low196 Ų196159.3 Ų159.374%0.7472%0.717SS**Hα-helixtrans-70.5-30.3-176.6-168.8174.3176.5-166.5-2.9112.4K229K229-R232 PolarHBondContact O-N 2.89Å
233A53.1Low48.3Very low65 Ų65164 Ų16454%0.53773%0.729SS.*Hα-helixtrans-69.8-4018000000113.2H231 Q235 L236 K237H231-A233 VanDerWaalsContact C-N 3.34Å; H231-A233 PolarHBondContact O-N 3.19Å; A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.5Å; A233-L236 PolarHBondContact O-N 3.48Å; A233-K237 PolarHBondContact O-N 3.34Å
234K52.6Low47.8Very low175 Ų175164.1 Ų164.176%0.76173%0.729SS**Hα-helixtrans-63.1-36.1-179.9-72.9-168.2173.5-172.20112.5L236K234-L236 PolarHBondContact O-N 3.07Å
235Q50.9Low47.3Very low141 Ų141161.5 Ų161.566%0.65972%0.724SS**Hα-helixtrans-66.4-34.7179.7-72.6-71.111.100113.7A233A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.5Å
236L54Low46.9Very low121 Ų121164.3 Ų164.363%0.63473%0.732SS**Hα-helixtrans-75.7-32.1179.2-89.1124.4000113.5A233 K234A233-L236 PolarHBondContact O-N 3.48Å; K234-L236 PolarHBondContact O-N 3.07Å
237K52.9Low46.9Very low174 Ų174162 Ų16276%0.75774%0.74SS**Hα-helixtrans-68.7-34.5176.4-75.8-161.3174.6-169.30112.8A233 K239 R240A233-K237 PolarHBondContact O-N 3.34Å; K237-K239 PolarHBondContact O-N 2.83Å; K237-R240 PolarHBondContact O-N 3.17Å
238K46.9Very low46.5Very low162 Ų162160.5 Ų160.570%0.70474%0.741SS**Hα-helixtrans-66-38.8179.9-160.9170.9-176.2179.40112.5R240 R241K238-R240 VanDerWaalsContact C-N 3.26Å; K238-R240 PolarHBondContact O-N 2.84Å; K238-R241 PolarHBondContact O-N 3.43Å
239K43.8Very low46Very low175 Ų175159.9 Ų159.976%0.76174%0.744SS**THydrogen-bonded Turntrans-71.1-7.4177.2-74-162.8172.4-164.80115.7K237K237-K239 PolarHBondContact O-N 2.83Å
240R43.6Very low45.1Very low219 Ų219156.1 Ų156.183%0.82673%0.732SS**THydrogen-bonded Turntrans-96.5-10.7175.8-81.1-166.668.2-177.7-0.2114.8K237 K238K237-R240 PolarHBondContact O-N 3.17Å; K238-R240 VanDerWaalsContact C-N 3.26Å; K238-R240 PolarHBondContact O-N 2.84Å
241R43.6Very low44.4Very low203 Ų203159.6 Ų159.677%0.76674%0.743SS**THydrogen-bonded Turntrans-88.1-46.8175.2-59.2-165.884.9167.45.5111.4K238 K243 K244K238-R241 PolarHBondContact O-N 3.43Å; R241-K243 PolarHBondContact O-N 2.97Å; R241-K244 PolarHBondContact O-N 3.24Å
242T42.8Very low44Very low111 Ų111159.1 Ų159.168%0.68174%0.739SS**THydrogen-bonded Turntrans-71.332.8-178.766.30000115.1
243K40.6Very low43.1Very low197 Ų197154.6 Ų154.686%0.85774%0.744SS**THydrogen-bonded Turntrans-149.624.1173.1-146.6-167.8179.4-1690112.5R241R241-K243 PolarHBondContact O-N 2.97Å
244K38.4Very low42.5Very low181 Ų181160.1 Ų160.179%0.78776%0.763SS**SBendtrans-140.635.3174.5-156.8-133.3171.4-166.90112.2R241R241-K244 PolarHBondContact O-N 3.24Å
245D35.1Very low41.9Very low136 Ų136158.8 Ų158.873%0.72776%0.76SS**SBendtrans-13835.6177.6-58.8-63.1000110
246Y40Very low41Very low240 Ų240162.3 Ų162.394%0.94177%0.767SS**SBendtrans-151.1100.8174.6-131.6-88000109.1
247G47.9Very low40Very low71 Ų71162.9 Ų162.973%0.73277%0.766SS**SBendtrans136.4128.1-167.700000109.7
248D39.8Very low39.1Very low147 Ų147161.3 Ų161.379%0.78677%0.765SS**  trans7276.9-180-154.78.5000116.9
249I38.9Very low38.6Very low173 Ų173159.1 Ų159.189%0.88777%0.768SS**  trans-12890.1143.6-59.5-176.2000107.9
250N33.2Very low38.2Very low95 Ų95158 Ų15851%0.50877%0.765SS.*  trans6.6123.7155.7-169.117.2000119.9K252N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.4Å; N250-K252 PolarHBondContact OD1-N 2.7Å
251Y37.5Very low37.7Very low217 Ų217153.8 Ų153.885%0.85176%0.759SS**SBendtrans-82.946.7172.134.9-99.4000113.4
252K38.4Very low37.3Very low143 Ų143148.9 Ų148.962%0.62276%0.762SS**  trans-141.583170.7-90.5-160.6166-91.70112.5N250 E255N250-K252 VanDerWaalsContact C-N 3.3Å; N250-K252 PolarHBondContact O-N 3.4Å; N250-K252 PolarHBondContact OD1-N 2.7Å; K252-E255 IonicContact NZ-OE2 3.73Å; K252-E255 PolarHBondContact NZ-OE2 2.74Å
253A30.8Very low37Very low101 Ų101155.3 Ų155.384%0.83577%0.774SS**  trans-152.226.9174.700000113.3
254L40.6Very low36.7Very low180 Ų180153.7 Ų153.794%0.94277%0.771SS**SBendtrans-130.533.3-177.7-16272.7000111.4
255E39.5Very low36.5Very low148 Ų148154.2 Ų154.269%0.69278%0.776SS**SBendtrans-155.553.6-168.1-165.1174.6-141.300110.9K252K252-E255 IonicContact NZ-OE2 3.73Å; K252-E255 PolarHBondContact NZ-OE2 2.74Å
256R33Very low36.6Very low214 Ų214156.1 Ų156.181%0.80878%0.781SS**SBendtrans-161.3129.2172.8-153.975.9-153-129.5-6.7112.6
257E32.3Very low36.4Very low133 Ų133149.8 Ų149.862%0.62177%0.772SS**  trans46.2120.2174.1-40.6-36.8167.100120.4
258L34.7Very low35.7Very low141 Ų141154.9 Ų154.974%0.73878%0.779SS**  trans-102.9114.8158.1-175.8174.2000106.7E260L258-E260 WeakPolarHBondContact CD2-OE2 3.12Å
259P37.1Very low35.3Very low116 Ų116153.6 Ų153.675%0.75378%0.782SS**  trans-87.1122.3165.4-1431.6000111
260E34.4Very low35.7Very low151 Ų151150 Ų15071%0.70678%0.778SS**  trans-71174.2171.6-152.477.6166.100111.1L258L258-E260 WeakPolarHBondContact CD2-OE2 3.12Å
261D33.3Very low36.2Very low132 Ų132153.4 Ų153.471%0.70680%0.796SS**  trans60.696.7165.4-71.7-37.2000119.5
262A34.6Very low36.8Very low99 Ų99147.5 Ų147.582%0.81879%0.792SS**  trans-149.853.3151.300000111.3M264A262-M264 PolarHBondContact O-N 3.01Å; A262-M264 VanDerWaalsContact O-N 3.08Å
263W36.4Very low37.3Very low246 Ų246149 Ų14993%0.93280%0.803SS**  trans-63.1108.1172.6-7288.3000110.1
264M34.9Very low38.5Very low163 Ų163151.1 Ų151.180%0.80380%0.801SS**  trans-12397.2170.5-150.6-176.6-56.900109.9A262A262-M264 PolarHBondContact O-N 3.01Å; A262-M264 VanDerWaalsContact O-N 3.08Å
265E33.8Very low39.4Very low192 Ų192150.4 Ų150.490%0.89780%0.797SS**  trans-58.4130.5174.6-176174.1-152.500110.7
266Q38.3Very low40Very low176 Ų176151.3 Ų151.382%0.82281%0.805SS**  trans-143.5132170.9-137.1166.3109.900109.9
267S35.6Very low41.7Very low107 Ų107143.7 Ų143.775%0.74879%0.793SS**  trans-85.8129-153.8550000114.7
268M31.6Very low43.6Very low178 Ų178143.7 Ų143.788%0.87781%0.805SS**  trans29.5104.5142.1-60.3177.869.900118.1
269S32.8Very low45.1Very low121 Ų121145.1 Ų145.185%0.84681%0.807SS**  trans-118.5125.6139.855.40000108.2
270A46Very low46.2Very low98 Ų98143.5 Ų143.581%0.8180%0.804SS**  trans-109.278.8-163.400000112.4
271D45.3Very low47.3Very low165 Ų165141.9 Ų141.988%0.88281%0.806SS**  trans-156.653.6166-152.15.9000112.7
272A48.4Very low48.6Very low94 Ų94139.9 Ų139.978%0.77780%0.799SS**  trans-150.361.3-176.200000112.9
273M50.8Low49.4Very low174 Ų174142.3 Ų142.386%0.85780%0.796SS**  trans-76142.7172.5-64.7-63.4-17800111.6
274D54.7Low49.8Very low146 Ų146136.7 Ų136.778%0.78178%0.78SS**SBendtrans61.547.3167.2-65.7-9.7000119.5
275L59.9Low50.4Low165 Ų165135 Ų13586%0.86478%0.78SS**  trans-12672.2148.9-83.3110.8000112.1G277L275-G277 PolarHBondContact O-N 3.29Å
276I51.7Low51.1Low166 Ų166128.6 Ų128.685%0.85176%0.756SS**  trans-75.1107.9169.4-84.758.9000109.3
277G68.3Low51.8Low54 Ų54124.8 Ų124.856%0.55774%0.738SS**SBendtrans149.8151.8172.800000112L275 E279L275-G277 PolarHBondContact O-N 3.29Å; G277-E279 PolarHBondContact O-N 3.42Å
278P71.9Confident52.6Low134 Ų134124.7 Ų124.787%0.8773%0.729SS**PPolyproline II helixtrans-62.5132.217227.9-33.9000109.9A280P278-A280 PolarHBondContact O-N 2.89Å; P278-A280 VanDerWaalsContact O-N 3.13Å
279E67.3Low53.6Low170 Ų170123.9 Ų123.979%0.79472%0.723SS**PPolyproline II helixtrans-52.6120.2-177.4-169.3-17315700110.5G277 P281G277-E279 PolarHBondContact O-N 3.42Å; E279-P281 VanDerWaalsContact O-N 3.17Å
280A60Low54.9Low83 Ų83124.1 Ų124.169%0.68671%0.709SS**PPolyproline II helixtrans-63.2119.4-176.500000109.2P278 V282P278-A280 PolarHBondContact O-N 2.89Å; P278-A280 VanDerWaalsContact O-N 3.13Å; A280-V282 PolarHBondContact O-N 2.89Å; A280-V282 VanDerWaalsContact O-N 3.09Å
281P58.5Low55.5Low116 Ų116125.7 Ų125.775%0.75371%0.711SS**PPolyproline II helixtrans-59.7119.4-16621.6-33.8000110.6E279 I283E279-P281 VanDerWaalsContact O-N 3.17Å; P281-I283 WeakPolarHBondContact O-CG1 3.21Å; P281-I283 PolarHBondContact O-N 2.78Å
282V59.1Low56.3Low91 Ų91120.3 Ų120.355%0.55268%0.682SS**  trans-49.5105.2-169.2179.60000110.9A280 H284A280-V282 PolarHBondContact O-N 2.89Å; A280-V282 VanDerWaalsContact O-N 3.09Å; V282-H284 PolarHBondContact O-CD2 2.65Å; V282-H284 VanDerWaalsContact O-CD2 3.28Å; V282-H284 PolarHBondContact O-N 2.79Å
283I51.2Low57.4Low149 Ų149122.8 Ų122.876%0.76468%0.682SS**  trans-75.485.4176.4-53.2177.8000106.8P281 T285P281-I283 WeakPolarHBondContact O-CG1 3.21Å; P281-I283 PolarHBondContact O-N 2.78Å; I283-T285 PolarHBondContact O-N 2.92Å
284H45.8Very low58.4Low128 Ų128115.8 Ų115.859%0.59365%0.646SS**  trans-55.998.7172.3-61.9-81.3000109.2V282 S286V282-H284 PolarHBondContact O-CD2 2.65Å; V282-H284 VanDerWaalsContact O-CD2 3.28Å; V282-H284 PolarHBondContact O-N 2.79Å; H284-S286 PolarHBondContact O-N 2.98Å
285T48Very low59.3Low129 Ų129110.2 Ų110.279%0.79162%0.623SS**SBendtrans-68.8-27.6-176.244.20000111.5I283 Q287I283-T285 PolarHBondContact O-N 2.92Å; T285-Q287 VanDerWaalsContact C-N 3.27Å; T285-Q287 PolarHBondContact O-N 2.82Å
286S48.2Very low60Low56 Ų56111.7 Ų111.739%0.39263%0.625SS.*  trans-73.272.4165.747.10000112.1H284 D288 E289H284-S286 PolarHBondContact O-N 2.98Å; S286-D288 PolarHBondContact O-N 3.28Å; S286-D288 VanDerWaalsContact O-N 3.07Å; S286-E289 PolarHBondContact O-N 2.92Å
287Q52.1Low61Low97 Ų97107 Ų10745%0.45361%0.611SS.*G310 helixtrans-57.2-14.3159.9-77.2-86.8-30.100112.2T285T285-Q287 VanDerWaalsContact C-N 3.27Å; T285-Q287 PolarHBondContact O-N 2.82Å
288D52.5Low61.5Low105 Ų105105.2 Ų105.256%0.56159%0.589SS**G310 helixtrans-74.3-21-177.3-61.1-51.1000115.3S286 R365S286-D288 PolarHBondContact O-N 3.28Å; S286-D288 VanDerWaalsContact O-N 3.07Å; D288-R365 VanDerWaalsContact CA-NH2 3.32Å; D288-R365 IonicContact OD1-CZ 3.58Å; D288-R365 IonicContact OD1-NE 3.45Å; D288-R365 IonicContact OD1-NH2 3.38Å; D288-R365 PolarHBondContact OD1-NH2 3.29Å
289E53.3Low61.7Low160 Ų160104.9 Ų104.975%0.74858%0.579SS**G310 helixtrans-86-12.5-179.2-71.1-67.8124.100113.5S286S286-E289 PolarHBondContact O-N 2.92Å
290K59.6Low62.2Low126 Ų126103.1 Ų103.155%0.54858%0.582SS.*SBendtrans-70126-178.8-87.1179.6175.1171.40110.3L292K290-L292 PolarHBondContact O-N 3.28Å
291P58.4Low63.1Low131 Ų131101.8 Ų101.885%0.85158%0.577SS**  trans-61.5104.5-175.723.2-33.4000110.5N293P291-N293 PolarHBondContact O-N 3.3Å
292L63.2Low64.1Low53 Ų5398.9 Ų98.928%0.27755%0.553SS.*  trans-68.8128.2-167.5-130.776.9000110.8K290 Y294K290-L292 PolarHBondContact O-N 3.28Å; L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 HydrophobicContact CB-CD2 3.98Å; L292-Y294 HydrophobicContact CB-CE1 4.21Å; L292-Y294 HydrophobicContact CB-CE2 3.46Å; L292-Y294 VanDerWaalsContact CB-CE2 3.46Å; L292-Y294 HydrophobicContact CD2-CD1 4.31Å; L292-Y294 HydrophobicContact CD2-CE1 3.64Å; L292-Y294 HydrophobicContact CD2-CE2 4.43Å; L292-Y294 WeakPolarHBondContact O-CD2 3.18Å; L292-Y294 PolarHBondContact O-N 3.39Å
293N70.1Confident65.2Low145 Ų14594.7 Ų94.778%0.77553%0.528SS*.  trans-78.981.2172.8-169.3-20.9000109.8P291 G295P291-N293 PolarHBondContact O-N 3.3Å; N293-G295 PolarHBondContact O-N 3.33Å; N293-G295 WeakPolarHBondContact OD1-CA 3.39Å; N293-G295 PolarHBondContact OD1-N 3.32Å
294Y72.4Confident66.7Low28 Ų2890 Ų9011%0.1151%0.512CS..  trans-63.85.3173.2-62.3-80.2000113.7L292 G303 A304 A307 Q357 I358 A361L292-Y294 VanDerWaalsContact C-N 3.28Å; L292-Y294 HydrophobicContact CB-CD2 3.98Å; L292-Y294 HydrophobicContact CB-CE1 4.21Å; L292-Y294 HydrophobicContact CB-CE2 3.46Å; L292-Y294 VanDerWaalsContact CB-CE2 3.46Å; L292-Y294 HydrophobicContact CD2-CD1 4.31Å; L292-Y294 HydrophobicContact CD2-CE1 3.64Å; L292-Y294 HydrophobicContact CD2-CE2 4.43Å; L292-Y294 WeakPolarHBondContact O-CD2 3.18Å; L292-Y294 PolarHBondContact O-N 3.39Å; Y294-G303 VanDerWaalsContact CE2-C 3.49Å; Y294-A304 HydrophobicContact CE2-CB 4.08Å; Y294-A307 HydrophobicContact CE1-CB 3.65Å; Y294-A307 HydrophobicContact CE2-CB 4.4Å; Y294-A307 VanDerWaalsContact OH-CB 3.3Å; Y294-A307 WeakPolarHBondContact OH-CB 3.12Å; Y294-Q357 WeakPolarHBondContact O-CG 3.27Å; Y294-Q357 PolarHBondContact O-NE2 2.93Å; Y294-I358 HydrophobicContact CD1-CG1 4.43Å; Y294-I358 HydrophobicContact CD1-CG2 4.44Å; Y294-I358 HydrophobicContact CE1-CG2 4.41Å; Y294-A361 HydrophobicContact CD1-CB 3.93Å; Y294-A361 HydrophobicContact CE1-CB 4.48Å
295G73.4Confident68.3Low28 Ų2886.5 Ų86.529%0.28951%0.505SS..  trans94.7150.6173.100000114.6N293 A297 L298 Q357N293-G295 PolarHBondContact O-N 3.33Å; N293-G295 WeakPolarHBondContact OD1-CA 3.39Å; N293-G295 PolarHBondContact OD1-N 3.32Å; G295-A297 PolarHBondContact O-N 2.92Å; G295-L298 PolarHBondContact O-N 2.88Å; G295-Q357 PolarHBondContact O-NE2 3.08Å
296H74.6Confident69.6Low196 Ų19681.5 Ų81.591%0.90747%0.473SS*.THydrogen-bonded Turntrans-67.82.2-164.3-152.7-36.9000116.3
297A74.1Confident71.1Confident67 Ų6779.1 Ų79.155%0.55446%0.457SS*.THydrogen-bonded Turntrans-97.91.7177.100000114.1G295G295-A297 PolarHBondContact O-N 2.92Å
298L76.9Confident72.6Confident18 Ų1881 Ų819%0.09447%0.466CS..SBendtrans-107.6153.8165.8-58.6179.2000109.1G295 E302 M306 K354 I358G295-L298 PolarHBondContact O-N 2.88Å; L298-E302 VanDerWaalsContact CA-OE2 3.29Å; L298-E302 WeakPolarHBondContact CA-OE2 3.49Å; L298-E302 HydrophobicContact CB-CB 4.33Å; L298-M306 HydrophobicContact CD2-SD 4.23Å; L298-K354 HydrophobicContact CD2-CB 3.93Å; L298-K354 HydrophobicContact CD2-CD 3.41Å; L298-K354 VanDerWaalsContact CD2-CD 3.41Å; L298-K354 HydrophobicContact CD2-CG 3.58Å; L298-I358 HydrophobicContact CD1-CD1 4.26Å; L298-I358 HydrophobicContact CD1-CG1 4.02Å
299L76.6Confident73.8Confident126 Ų12680.8 Ų80.866%0.6646%0.458SS*.  trans-69.7157170.3-74.3117000110.9G301 E302L299-G301 PolarHBondContact O-N 3.36Å; L299-E302 HydrophobicContact CB-CB 4.06Å; L299-E302 PolarHBondContact N-OE2 3.48Å; L299-E302 WeakPolarHBondContact O-CB 3.44Å; L299-E302 PolarHBondContact O-N 2.72Å
300P78.4Confident75Confident133 Ų13374.7 Ų74.786%0.86443%0.431SS*.THydrogen-bonded Turntrans-51.4132.6168.6-25.135.1000110.8E302P300-E302 PolarHBondContact O-N 3.12Å; P300-E302 VanDerWaalsContact O-N 3.15Å
301G78.6Confident76.1Confident56 Ų5677.7 Ų77.758%0.57745%0.445SS*.THydrogen-bonded Turntrans79.5-32.1-174.800000115.6L299 G303 A304 A305L299-G301 PolarHBondContact O-N 3.36Å; G301-G303 PolarHBondContact O-N 2.85Å; G301-A304 PolarHBondContact O-N 3.13Å; G301-A304 VanDerWaalsContact O-N 3.08Å; G301-A305 PolarHBondContact O-N 2.94Å
302E80.7Confident77.1Confident54 Ų5474.5 Ų74.525%0.25243%0.429SS..Hα-helixtrans-55.8-46.9-176-177.2-175.1-160.300112L298 L299 P300 A304 A305 M306 K354L298-E302 VanDerWaalsContact CA-OE2 3.29Å; L298-E302 WeakPolarHBondContact CA-OE2 3.49Å; L298-E302 HydrophobicContact CB-CB 4.33Å; L299-E302 HydrophobicContact CB-CB 4.06Å; L299-E302 PolarHBondContact N-OE2 3.48Å; L299-E302 WeakPolarHBondContact O-CB 3.44Å; L299-E302 PolarHBondContact O-N 2.72Å; P300-E302 PolarHBondContact O-N 3.12Å; P300-E302 VanDerWaalsContact O-N 3.15Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 2.93Å; E302-A305 PolarHBondContact O-N 3.32Å; E302-M306 HydrophobicContact CG-CG 4.43Å; E302-M306 HydrophobicContact CG-SD 3.82Å; E302-M306 WeakPolarHBondContact O-CB 3.47Å; E302-M306 VanDerWaalsContact O-CG 3.26Å; E302-M306 WeakPolarHBondContact O-CG 3.41Å; E302-M306 PolarHBondContact O-N 2.99Å; E302-K354 IonicContact OE1-NZ 2.81Å; E302-K354 PolarHBondContact OE1-NZ 3.05Å; E302-K354 IonicContact OE2-NZ 3.22Å; E302-K354 PolarHBondContact OE2-NZ 3.27Å
303G81.8Confident77.8Confident3 Ų375.3 Ų75.33%0.03145%0.45CS..Hα-helixtrans-64.9-31179.600000114.5Y294 G301 A307Y294-G303 VanDerWaalsContact CE2-C 3.49Å; G301-G303 PolarHBondContact O-N 2.85Å; G303-A307 VanDerWaalsContact O-CB 3.24Å; G303-A307 WeakPolarHBondContact O-CB 3.47Å; G303-A307 PolarHBondContact O-N 3.2Å
304A81.4Confident78.3Confident51 Ų5172.9 Ų72.942%0.42143%0.433SS..Hα-helixtrans-71.2-48.2178.600000111.1Y294 G301 E302 M306 A307 E308Y294-A304 HydrophobicContact CE2-CB 4.08Å; G301-A304 PolarHBondContact O-N 3.13Å; G301-A304 VanDerWaalsContact O-N 3.08Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 2.93Å; A304-M306 VanDerWaalsContact C-N 3.32Å; A304-M306 PolarHBondContact O-N 3.41Å; A304-A307 PolarHBondContact O-N 3.29Å; A304-E308 PolarHBondContact O-N 2.83Å
305A80Confident78.4Confident54 Ų5474.3 Ų74.345%0.44644%0.438SS..Hα-helixtrans-61.8-39.1175.700000112.1G301 E302 Y309G301-A305 PolarHBondContact O-N 2.94Å; E302-A305 PolarHBondContact O-N 3.32Å; A305-Y309 WeakPolarHBondContact O-CD2 3.42Å; A305-Y309 PolarHBondContact O-N 3.22Å
306M75.7Confident78.5Confident24 Ų2474.2 Ų74.212%0.11843%0.431CS..Hα-helixtrans-66.7-39.7175-69.8178.474.500112.5L298 E302 A304 V310 I316 K354 I358L298-M306 HydrophobicContact CD2-SD 4.23Å; E302-M306 HydrophobicContact CG-CG 4.43Å; E302-M306 HydrophobicContact CG-SD 3.82Å; E302-M306 WeakPolarHBondContact O-CB 3.47Å; E302-M306 VanDerWaalsContact O-CG 3.26Å; E302-M306 WeakPolarHBondContact O-CG 3.41Å; E302-M306 PolarHBondContact O-N 2.99Å; A304-M306 VanDerWaalsContact C-N 3.32Å; A304-M306 PolarHBondContact O-N 3.41Å; M306-V310 WeakPolarHBondContact O-CG2 3.23Å; M306-V310 PolarHBondContact O-N 3.41Å; M306-I316 HydrophobicContact CB-CD1 4.14Å; M306-I316 HydrophobicContact CB-CG2 4.49Å; M306-I316 HydrophobicContact CE-CD1 3.62Å; M306-I316 HydrophobicContact CE-CG2 4.14Å; M306-I316 HydrophobicContact CG-CD1 4.45Å; M306-I316 HydrophobicContact CG-CG2 3.97Å; M306-K354 HydrophobicContact CE-CB 4.05Å; M306-I358 HydrophobicContact CB-CD1 3.42Å; M306-I358 VanDerWaalsContact CB-CD1 3.42Å; M306-I358 HydrophobicContact CE-CD1 3.62Å; M306-I358 HydrophobicContact CG-CD1 4.24Å; M306-I358 HydrophobicContact SD-CD1 3.92Å
307A79.8Confident78.4Confident7 Ų767.1 Ų67.16%0.05840%0.402CS..Hα-helixtrans-68.6-32178.100000112.8Y294 G303 A304 V310 K311 I358Y294-A307 HydrophobicContact CE1-CB 3.65Å; Y294-A307 HydrophobicContact CE2-CB 4.4Å; Y294-A307 VanDerWaalsContact OH-CB 3.3Å; Y294-A307 WeakPolarHBondContact OH-CB 3.12Å; G303-A307 VanDerWaalsContact O-CB 3.24Å; G303-A307 WeakPolarHBondContact O-CB 3.47Å; G303-A307 PolarHBondContact O-N 3.2Å; A304-A307 PolarHBondContact O-N 3.29Å; A307-V310 PolarHBondContact O-N 2.96Å; A307-K311 VanDerWaalsContact O-CB 3.3Å; A307-K311 WeakPolarHBondContact O-CB 3.47Å; A307-K311 PolarHBondContact O-N 3.44Å; A307-I358 HydrophobicContact CB-CG2 3.9Å
308E83.8Confident78.3Confident137 Ų13767.2 Ų67.264%0.6439%0.388SS*.Hα-helixtrans-62.4-47174.5-172.8179.1-176.200112A304 V310 K311 A312A304-E308 PolarHBondContact O-N 2.83Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 3.27Å; E308-K311 PolarHBondContact O-N 3.34Å; E308-A312 WeakPolarHBondContact O-CB 3.01Å; E308-A312 PolarHBondContact O-N 3.45Å
309Y77.8Confident77.7Confident99 Ų9978.1 Ų78.139%0.38843%0.428SS..Hα-helixtrans-59.4-44.1173.9-87-105.5000111.6A305 A312 G313 K314 P317A305-Y309 WeakPolarHBondContact O-CD2 3.42Å; A305-Y309 PolarHBondContact O-N 3.22Å; Y309-A312 CarbonylContact O-C 3.53Å; Y309-A312 PolarHBondContact O-N 3.42Å; Y309-G313 PolarHBondContact O-N 3.07Å; Y309-K314 CarbonylContact C-O 3.54Å; Y309-K314 HydrophobicContact CD1-CB 3.93Å; Y309-K314 PolarHBondContact O-N 2.77Å; Y309-P317 HydrophobicContact CD1-CG 4.16Å; Y309-P317 HydrophobicContact CE1-CG 3.63Å
310V78.6Confident77.2Confident33 Ų3375 Ų7520%0.243%0.427CS..Hα-helixtrans-63.5-41.8176.9169.80000112M306 A307 E308 A312 G313 I316 Y359M306-V310 WeakPolarHBondContact O-CG2 3.23Å; M306-V310 PolarHBondContact O-N 3.41Å; A307-V310 PolarHBondContact O-N 2.96Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 3.27Å; V310-A312 VanDerWaalsContact C-N 3.27Å; V310-A312 PolarHBondContact O-N 2.81Å; V310-G313 PolarHBondContact O-N 2.99Å; V310-I316 HydrophobicContact CG2-CD1 3.88Å; V310-I316 HydrophobicContact CG2-CG1 4.04Å; V310-Y359 HydrophobicContact CG1-CD1 4.16Å; V310-Y359 HydrophobicContact CG1-CE1 3.54Å; V310-Y359 HydrophobicContact CG2-CE1 4.43Å
311K83Confident76.9Confident189 Ų18969 Ų6982%0.82239%0.387SS*.Hα-helixtrans-62.4-33.9174.9-177.1-175.2176.3-171.40111.9A307 E308 G313A307-K311 VanDerWaalsContact O-CB 3.3Å; A307-K311 WeakPolarHBondContact O-CB 3.47Å; A307-K311 PolarHBondContact O-N 3.44Å; E308-K311 PolarHBondContact O-N 3.34Å; K311-G313 PolarHBondContact O-N 3.43Å
312A78.9Confident76.2Confident63 Ų6373.6 Ų73.652%0.52140%0.397SS..THydrogen-bonded Turntrans-79.22.3172.700000113.9E308 Y309 V310 K314E308-A312 WeakPolarHBondContact O-CB 3.01Å; E308-A312 PolarHBondContact O-N 3.45Å; Y309-A312 CarbonylContact O-C 3.53Å; Y309-A312 PolarHBondContact O-N 3.42Å; V310-A312 VanDerWaalsContact C-N 3.27Å; V310-A312 PolarHBondContact O-N 2.81Å; A312-K314 HydrophobicContact CB-CD 4.32Å; A312-K314 HydrophobicContact CB-CG 4.12Å; A312-K314 PolarHBondContact O-N 3.24Å
313G76.8Confident75.7Confident71 Ų7174.8 Ų74.873%0.73242%0.424SS*.THydrogen-bonded Turntrans71.57.9-175.900000114.5Y309 V310 K311Y309-G313 PolarHBondContact O-N 3.07Å; V310-G313 PolarHBondContact O-N 2.99Å; K311-G313 PolarHBondContact O-N 3.43Å
314K80.5Confident75.5Confident93 Ų9377.8 Ų77.840%0.40444%0.439SS..PPolyproline II helixtrans-91.1141-172.2-62.9-173177-162.90111.7Y309 A312 I316Y309-K314 CarbonylContact C-O 3.54Å; Y309-K314 HydrophobicContact CD1-CB 3.93Å; Y309-K314 PolarHBondContact O-N 2.77Å; A312-K314 HydrophobicContact CB-CD 4.32Å; A312-K314 HydrophobicContact CB-CG 4.12Å; A312-K314 PolarHBondContact O-N 3.24Å; K314-I316 PolarHBondContact O-N 2.81Å
315R76.1Confident75.5Confident59 Ų5978.9 Ų78.922%0.22344%0.44CS..PPolyproline II helixtrans-59.8130.2170.3-178.4-166.9171-78.331.3109.7R318 E321 E333R315-R318 VanDerWaalsContact NH2-NH1 3.18Å; R315-R318 VanDerWaalsContact NH2-NH2 3.19Å; R315-E321 IonicContact CZ-OE1 3.74Å; R315-E321 IonicContact CZ-OE2 3.74Å; R315-E321 IonicContact NH1-OE1 2.74Å; R315-E321 IonicContact NH1-OE2 2.72Å; R315-E321 PolarHBondContact NH1-OE2 3.42Å; R315-E321 IonicContact NH2-OE1 3.48Å; R315-E321 PolarHBondContact NH2-OE1 3.25Å; R315-E321 IonicContact NH2-OE2 2.59Å; R315-E321 PolarHBondContact NH2-OE2 3.17Å; R315-E333 IonicContact CZ-OE2 2.87Å; R315-E333 VanDerWaalsContact CZ-OE2 3.23Å; R315-E333 IonicContact NE-OE2 2.59Å; R315-E333 PolarHBondContact NE-OE2 3.12Å; R315-E333 VanDerWaalsContact NH2-CD 3.29Å; R315-E333 IonicContact NH2-OE1 3.6Å; R315-E333 PolarHBondContact NH2-OE1 2.92Å; R315-E333 IonicContact NH2-OE2 3.47Å; R315-E333 PolarHBondContact NH2-OE2 2.98Å
316I74.5Confident75.2Confident26 Ų2677.3 Ų77.313%0.13343%0.426CS..PPolyproline II helixtrans-66.7129.9179.9-51.6175.2000110M306 V310 K314 E355M306-I316 HydrophobicContact CB-CD1 4.14Å; M306-I316 HydrophobicContact CB-CG2 4.49Å; M306-I316 HydrophobicContact CE-CD1 3.62Å; M306-I316 HydrophobicContact CE-CG2 4.14Å; M306-I316 HydrophobicContact CG-CD1 4.45Å; M306-I316 HydrophobicContact CG-CG2 3.97Å; V310-I316 HydrophobicContact CG2-CD1 3.88Å; V310-I316 HydrophobicContact CG2-CG1 4.04Å; K314-I316 PolarHBondContact O-N 2.81Å; I316-E355 HydrophobicContact CD1-CG 4.05Å
317P71.8Confident75.4Confident47 Ų4782.3 Ų82.331%0.30545%0.449SS..PPolyproline II helixtrans-64.1139.6175.6-23.134.2000112.9Y309Y309-P317 HydrophobicContact CD1-CG 4.16Å; Y309-P317 HydrophobicContact CE1-CG 3.63Å
318R73.1Confident75.6Confident69 Ų6985.9 Ų85.926%0.2646%0.464SS..PPolyproline II helixtrans-97.1166.1175.6-50.2-179.7-168.5141.72.6111.2R315 G320 E321 E333R315-R318 VanDerWaalsContact NH2-NH1 3.18Å; R315-R318 VanDerWaalsContact NH2-NH2 3.19Å; R318-G320 PolarHBondContact O-N 2.9Å; R318-G320 VanDerWaalsContact O-N 3.09Å; R318-E321 VanDerWaalsContact CB-CD 3.5Å; R318-E321 HydrophobicContact CB-CG 4.26Å; R318-E321 WeakPolarHBondContact CB-OE1 3.42Å; R318-E321 WeakPolarHBondContact CB-OE2 3.37Å; R318-E321 VanDerWaalsContact CD-OE1 3.3Å; R318-E321 WeakPolarHBondContact CD-OE1 3.45Å; R318-E321 WeakPolarHBondContact CG-OE1 3.31Å; R318-E321 WeakPolarHBondContact CG-OE2 3.4Å; R318-E321 PolarHBondContact N-OE2 2.86Å; R318-E321 IonicContact NE-OE1 3.43Å; R318-E321 IonicContact NH1-OE1 2.81Å; R318-E321 WeakPolarHBondContact O-CB 3.39Å; R318-E321 PolarHBondContact O-N 3.28Å; R318-E333 IonicContact CZ-OE1 2.7Å; R318-E333 IonicContact NH1-OE1 3.59Å; R318-E333 PolarHBondContact NH1-OE1 3.2Å; R318-E333 IonicContact NH2-OE1 3.63Å; R318-E333 PolarHBondContact NH2-OE1 3.23Å; R318-E333 IonicContact NH2-OE2 2.68Å; R318-E333 PolarHBondContact NH2-OE2 2.89Å
319R64.6Low75.1Confident246 Ų24679.5 Ų79.593%0.92843%0.434SS*.THydrogen-bonded Turntrans-63.7112.7175.8-176.9178.7-178-119.50.4110.3
320G66Low75.1Confident62 Ų6276.8 Ų76.864%0.63943%0.433SS*.THydrogen-bonded Turntrans108.3-6.7-173.300000114.2R318R318-G320 PolarHBondContact O-N 2.9Å; R318-G320 VanDerWaalsContact O-N 3.09Å
321E71.8Confident75.4Confident5 Ų578.5 Ų78.52%0.02345%0.446CS..  trans-99.15.6173-64.5168-169.900111.9R315 R318 G323 L324 I329 M339R315-E321 IonicContact CZ-OE1 3.74Å; R315-E321 IonicContact CZ-OE2 3.74Å; R315-E321 IonicContact NH1-OE1 2.74Å; R315-E321 IonicContact NH1-OE2 2.72Å; R315-E321 PolarHBondContact NH1-OE2 3.42Å; R315-E321 IonicContact NH2-OE1 3.48Å; R315-E321 PolarHBondContact NH2-OE1 3.25Å; R315-E321 IonicContact NH2-OE2 2.59Å; R315-E321 PolarHBondContact NH2-OE2 3.17Å; R318-E321 VanDerWaalsContact CB-CD 3.5Å; R318-E321 HydrophobicContact CB-CG 4.26Å; R318-E321 WeakPolarHBondContact CB-OE1 3.42Å; R318-E321 WeakPolarHBondContact CB-OE2 3.37Å; R318-E321 VanDerWaalsContact CD-OE1 3.3Å; R318-E321 WeakPolarHBondContact CD-OE1 3.45Å; R318-E321 WeakPolarHBondContact CG-OE1 3.31Å; R318-E321 WeakPolarHBondContact CG-OE2 3.4Å; R318-E321 PolarHBondContact N-OE2 2.86Å; R318-E321 IonicContact NE-OE1 3.43Å; R318-E321 IonicContact NH1-OE1 2.81Å; R318-E321 WeakPolarHBondContact O-CB 3.39Å; R318-E321 PolarHBondContact O-N 3.28Å; E321-G323 PolarHBondContact O-N 3.09Å; E321-G323 VanDerWaalsContact O-N 3.08Å; E321-L324 PolarHBondContact O-N 3.13Å; E321-L324 VanDerWaalsContact O-N 3.16Å; E321-I329 HydrophobicContact CB-CD1 3.79Å; E321-I329 HydrophobicContact CB-CG1 4.39Å; E321-I329 HydrophobicContact CG-CD1 4.22Å; E321-I329 HydrophobicContact CG-CG1 4.41Å; E321-I329 HydrophobicContact CG-CG2 4.5Å; E321-M339 HydrophobicContact CG-CE 3.56Å; E321-M339 HydrophobicContact CG-SD 3.63Å
322I63.2Low75.2Confident154 Ų15473.6 Ų73.679%0.7943%0.425SS*.THydrogen-bonded Turntrans-71.4102.4179.9-54.4174000108.4
323G70.8Confident75.1Confident79 Ų7973.5 Ų73.581%0.81441%0.414SS*.THydrogen-bonded Turntrans123.5-7.3-175.300000114.4E321E321-G323 PolarHBondContact O-N 3.09Å; E321-G323 VanDerWaalsContact O-N 3.08Å
324L77.1Confident75Confident66 Ų6675.7 Ų75.735%0.34642%0.417SS..SBendtrans-106.3147.8170-63.8175.8000110.5E321 I329 F332 M339E321-L324 PolarHBondContact O-N 3.13Å; E321-L324 VanDerWaalsContact O-N 3.16Å; L324-I329 HydrophobicContact CB-CD1 4Å; L324-I329 HydrophobicContact CB-CG1 3.7Å; L324-I329 HydrophobicContact CD1-CG1 4.26Å; L324-F332 HydrophobicContact CD1-CD2 4.42Å; L324-F332 HydrophobicContact CD1-CE2 4.3Å; L324-F332 HydrophobicContact CD2-CE2 4.46Å; L324-M339 HydrophobicContact CD1-CE 4.35Å
325T81.4Confident75Confident74 Ų7475.5 Ų75.545%0.45443%0.427SS..  trans-74.8158.4173.266.70000111.7E327 E328 I329T325-E327 PolarHBondContact O-N 2.76Å; T325-E328 VanDerWaalsContact CB-OE2 3.26Å; T325-E328 WeakPolarHBondContact CB-OE2 3.49Å; T325-E328 WeakPolarHBondContact CG2-OE2 3.3Å; T325-E328 PolarHBondContact N-OE2 3.17Å; T325-E328 PolarHBondContact O-N 3.25Å; T325-E328 VanDerWaalsContact OG1-CD 3.27Å; T325-E328 VanDerWaalsContact OG1-CG 3.27Å; T325-E328 WeakPolarHBondContact OG1-CG 3.43Å; T325-E328 PolarHBondContact OG1-N 3.37Å; T325-E328 PolarHBondContact OG1-OE2 2.97Å; T325-I329 VanDerWaalsContact O-CD1 3.27Å; T325-I329 WeakPolarHBondContact O-CD1 3.18Å; T325-I329 WeakPolarHBondContact O-CG1 3.42Å; T325-I329 PolarHBondContact O-N 2.73Å; T325-I329 VanDerWaalsContact O-N 3.08Å
326S74.7Confident74.8Confident20 Ų2075.2 Ų75.214%0.1444%0.443CS..Hα-helixtrans-59-26.8176.646.20000113.9A330S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.89Å
327E80.1Confident74.7Confident129 Ų12981.7 Ų81.760%0.60347%0.467SS*.Hα-helixtrans-85.8-39.9-176.7-72.5149.3-128.700112T325 A330 S331T325-E327 PolarHBondContact O-N 2.76Å; E327-A330 PolarHBondContact O-N 3.25Å; E327-S331 WeakPolarHBondContact O-CB 3.47Å; E327-S331 PolarHBondContact O-N 3.44Å; E327-S331 PolarHBondContact O-OG 3.16Å
328E83.3Confident74.1Confident83 Ų8382.8 Ų82.839%0.38847%0.472SS..Hα-helixtrans-60-45.8167.9-69.9162.2128.900111.2T325 A330 S331 F332T325-E328 VanDerWaalsContact CB-OE2 3.26Å; T325-E328 WeakPolarHBondContact CB-OE2 3.49Å; T325-E328 WeakPolarHBondContact CG2-OE2 3.3Å; T325-E328 PolarHBondContact N-OE2 3.17Å; T325-E328 PolarHBondContact O-N 3.25Å; T325-E328 VanDerWaalsContact OG1-CD 3.27Å; T325-E328 VanDerWaalsContact OG1-CG 3.27Å; T325-E328 WeakPolarHBondContact OG1-CG 3.43Å; T325-E328 PolarHBondContact OG1-N 3.37Å; T325-E328 PolarHBondContact OG1-OE2 2.97Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.11Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 2.86Å; E328-S331 VanDerWaalsContact O-N 3.13Å; E328-F332 HydrophobicContact CB-CD2 4.38Å; E328-F332 HydrophobicContact CB-CE2 4.02Å; E328-F332 WeakPolarHBondContact O-CD2 3.41Å; E328-F332 WeakPolarHBondContact O-CG 3.07Å; E328-F332 PolarHBondContact O-N 3.11Å
329I73.1Confident73.4Confident2 Ų282 Ų821%0.0147%0.472CS..Hα-helixtrans-62.3-41.2179.4-62.5158.6000111.3E321 L324 T325 S331 F332 E333E321-I329 HydrophobicContact CB-CD1 3.79Å; E321-I329 HydrophobicContact CB-CG1 4.39Å; E321-I329 HydrophobicContact CG-CD1 4.22Å; E321-I329 HydrophobicContact CG-CG1 4.41Å; E321-I329 HydrophobicContact CG-CG2 4.5Å; L324-I329 HydrophobicContact CB-CD1 4Å; L324-I329 HydrophobicContact CB-CG1 3.7Å; L324-I329 HydrophobicContact CD1-CG1 4.26Å; T325-I329 VanDerWaalsContact O-CD1 3.27Å; T325-I329 WeakPolarHBondContact O-CD1 3.18Å; T325-I329 WeakPolarHBondContact O-CG1 3.42Å; T325-I329 PolarHBondContact O-N 2.73Å; T325-I329 VanDerWaalsContact O-N 3.08Å; I329-S331 VanDerWaalsContact C-N 3.34Å; I329-F332 PolarHBondContact O-N 3.22Å; I329-E333 PolarHBondContact O-N 2.86Å
330A78.2Confident72.7Confident43 Ų4376.2 Ų76.236%0.35547%0.47SS..Hα-helixtrans-62.9-42.6174.100000111.4S326 E327 E328 E333 C334S326-A330 WeakPolarHBondContact O-CB 3.43Å; S326-A330 PolarHBondContact O-N 2.89Å; E327-A330 PolarHBondContact O-N 3.25Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 3.11Å; A330-E333 PolarHBondContact O-N 2.99Å; A330-C334 WeakPolarHBondContact O-CB 3.22Å; A330-C334 PolarHBondContact O-N 3.2Å; A330-C334 PolarHBondContact O-SG 2.96Å; A330-C334 VanDerWaalsContact O-SG 3.34Å
331S84.3Confident72.4Confident69 Ų6975 Ų7548%0.48346%0.457SS..Hα-helixtrans-62.9-43.3177.9-56.30000111.9E327 E328 I329 C334 S335E327-S331 WeakPolarHBondContact O-CB 3.47Å; E327-S331 PolarHBondContact O-N 3.44Å; E327-S331 PolarHBondContact O-OG 3.16Å; E328-S331 WeakPolarHBondContact O-CB 3.45Å; E328-S331 PolarHBondContact O-N 2.86Å; E328-S331 VanDerWaalsContact O-N 3.13Å; I329-S331 VanDerWaalsContact C-N 3.34Å; S331-C334 PolarHBondContact O-N 2.77Å; S331-S335 WeakPolarHBondContact O-CB 3.18Å; S331-S335 PolarHBondContact O-N 3.18Å; S331-S335 PolarHBondContact O-OG 2.89Å; S331-S335 VanDerWaalsContact O-OG 3.12Å
332F78.8Confident71.8Confident85 Ų8577.5 Ų77.537%0.37348%0.475SS..Hα-helixtrans-65.5-40.8174.8-67.3-50.2000112.6L324 E328 I329 S335 G336 Y337L324-F332 HydrophobicContact CD1-CD2 4.42Å; L324-F332 HydrophobicContact CD1-CE2 4.3Å; L324-F332 HydrophobicContact CD2-CE2 4.46Å; E328-F332 HydrophobicContact CB-CD2 4.38Å; E328-F332 HydrophobicContact CB-CE2 4.02Å; E328-F332 WeakPolarHBondContact O-CD2 3.41Å; E328-F332 WeakPolarHBondContact O-CG 3.07Å; E328-F332 PolarHBondContact O-N 3.11Å; I329-F332 PolarHBondContact O-N 3.22Å; F332-S335 CarbonylContact O-C 3.54Å; F332-S335 PolarHBondContact O-N 3.04Å; F332-G336 PolarHBondContact O-N 2.69Å; F332-Y337 WeakPolarHBondContact O-CB 3.49Å; F332-Y337 PolarHBondContact O-N 3.1Å
333E76.7Confident71.6Confident61 Ų6180.8 Ų80.829%0.28548%0.478SS..Hα-helixtrans-65.9-36.7175.4-74.3-166.9127.200112.3R315 R318 I329 A330 G336R315-E333 IonicContact CZ-OE2 2.87Å; R315-E333 VanDerWaalsContact CZ-OE2 3.23Å; R315-E333 IonicContact NE-OE2 2.59Å; R315-E333 PolarHBondContact NE-OE2 3.12Å; R315-E333 VanDerWaalsContact NH2-CD 3.29Å; R315-E333 IonicContact NH2-OE1 3.6Å; R315-E333 PolarHBondContact NH2-OE1 2.92Å; R315-E333 IonicContact NH2-OE2 3.47Å; R315-E333 PolarHBondContact NH2-OE2 2.98Å; R318-E333 IonicContact CZ-OE1 2.7Å; R318-E333 IonicContact NH1-OE1 3.59Å; R318-E333 PolarHBondContact NH1-OE1 3.2Å; R318-E333 IonicContact NH2-OE1 3.63Å; R318-E333 PolarHBondContact NH2-OE1 3.23Å; R318-E333 IonicContact NH2-OE2 2.68Å; R318-E333 PolarHBondContact NH2-OE2 2.89Å; I329-E333 PolarHBondContact O-N 2.86Å; A330-E333 PolarHBondContact O-N 2.99Å; E333-G336 PolarHBondContact O-N 3.38Å
334C74.9Confident71.8Confident118 Ų11882 Ų8280%0.79746%0.462SS*.Hα-helixtrans-64.7-42.4171.4-72.40000112.4A330 S331 G336A330-C334 WeakPolarHBondContact O-CB 3.22Å; A330-C334 PolarHBondContact O-N 3.2Å; A330-C334 PolarHBondContact O-SG 2.96Å; A330-C334 VanDerWaalsContact O-SG 3.34Å; S331-C334 PolarHBondContact O-N 2.77Å; C334-G336 PolarHBondContact O-N 2.93Å; C334-G336 VanDerWaalsContact O-N 3.07Å
335S81.4Confident71.7Confident88 Ų8889 Ų8962%0.61548%0.484SS*.THydrogen-bonded Turntrans-72.711.5174.3-60.80000114.2S331 F332 Y337S331-S335 WeakPolarHBondContact O-CB 3.18Å; S331-S335 PolarHBondContact O-N 3.18Å; S331-S335 PolarHBondContact O-OG 2.89Å; S331-S335 VanDerWaalsContact O-OG 3.12Å; F332-S335 CarbonylContact O-C 3.54Å; F332-S335 PolarHBondContact O-N 3.04Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; S335-Y337 PolarHBondContact O-N 2.9Å
336G71.8Confident71.2Confident54 Ų5495 Ų9556%0.55750%0.498SS*.THydrogen-bonded Turntrans76.57174.900000115.8F332 E333 C334 V338F332-G336 PolarHBondContact O-N 2.69Å; E333-G336 PolarHBondContact O-N 3.38Å; C334-G336 PolarHBondContact O-N 2.93Å; C334-G336 VanDerWaalsContact O-N 3.07Å; G336-V338 PolarHBondContact O-N 2.78Å
337Y71.6Confident70.7Confident161 Ų16199.6 Ų99.663%0.63152%0.519SS*.  trans-71.191.3175.7-84.5-92.9000110.8F332 S335 M339F332-Y337 WeakPolarHBondContact O-CB 3.49Å; F332-Y337 PolarHBondContact O-N 3.1Å; S335-Y337 VanDerWaalsContact C-N 3.31Å; S335-Y337 PolarHBondContact O-N 2.9Å; Y337-M339 PolarHBondContact O-N 2.79Å
338V59.2Low70.1Confident70 Ų7097.2 Ų97.242%0.42451%0.508SS..  trans-71.487.7176.7179.20000110.3G336 R343G336-V338 PolarHBondContact O-N 2.78Å; V338-R343 HydrophobicContact CG1-CG 3.81Å
339M59.3Low69.6Low52 Ų5295.3 Ų95.326%0.25651%0.506SS..  trans-55.3149.9166.8-59.3-1708000111E321 L324 Y337 G341 S342E321-M339 HydrophobicContact CG-CE 3.56Å; E321-M339 HydrophobicContact CG-SD 3.63Å; L324-M339 HydrophobicContact CD1-CE 4.35Å; Y337-M339 PolarHBondContact O-N 2.79Å; M339-G341 VanDerWaalsContact C-N 3.34Å; M339-G341 PolarHBondContact O-N 3.38Å; M339-S342 PolarHBondContact O-N 2.68Å
340S50.3Low69.7Low126 Ų12698.2 Ų98.288%0.88152%0.524SS*.THydrogen-bonded Turntrans-66.278.9-159.950.90000114.9
341G58.8Low69.7Low37 Ų37100.1 Ų100.138%0.38152%0.522SS..THydrogen-bonded Turntrans166.5-23.5175.300000115M339 R343 H344M339-G341 VanDerWaalsContact C-N 3.34Å; M339-G341 PolarHBondContact O-N 3.38Å; G341-R343 VanDerWaalsContact C-N 3.33Å; G341-R343 PolarHBondContact O-N 3.21Å; G341-H344 WeakPolarHBondContact O-CB 3.41Å; G341-H344 PolarHBondContact O-N 2.96Å
342S58.3Low69.4Low57 Ų57100.1 Ų100.140%0.39952%0.516SS..THydrogen-bonded Turntrans-61.6-35.2-169.7-166.60000113.7M339 H344M339-S342 PolarHBondContact O-N 2.68Å; S342-H344 PolarHBondContact O-N 3.42Å; S342-H344 VanDerWaalsContact O-N 3.11Å
343R60Low69.5Low222 Ų222103.7 Ų103.784%0.83853%0.527SS*.THydrogen-bonded Turntrans-66.8-9.5174.5-66.6-179.1-174.4-163.81.3114.6V338 G341V338-R343 HydrophobicContact CG1-CG 3.81Å; G341-R343 VanDerWaalsContact C-N 3.33Å; G341-R343 PolarHBondContact O-N 3.21Å
344H74.6Confident69.8Low106 Ų106103.3 Ų103.349%0.49152%0.524SS..  trans-104.385.2-167.2-149.690000112.6G341 S342 R346 M347 E348G341-H344 WeakPolarHBondContact O-CB 3.41Å; G341-H344 PolarHBondContact O-N 2.96Å; S342-H344 PolarHBondContact O-N 3.42Å; S342-H344 VanDerWaalsContact O-N 3.11Å; H344-R346 PolarHBondContact O-N 2.88Å; H344-M347 HydrophobicContact CB-CB 4.46Å; H344-M347 HydrophobicContact CB-CG 4.38Å; H344-M347 WeakPolarHBondContact O-CB 3.32Å; H344-M347 PolarHBondContact O-N 3.21Å; H344-E348 PolarHBondContact O-N 3.42Å
345R74.8Confident69.9Low212 Ų21298.8 Ų98.880%0.849%0.492SS*.Hα-helixtrans-44.8-27.6-177.6-73.9-170.9177-169.90.4116.2A349R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.37Å
346R72.3Confident70Confident201 Ų20198.9 Ų98.976%0.75849%0.485SS*.Hα-helixtrans-70.6-37.1175-64.4-178.5-178.6172.53.8113.1H344 V350H344-R346 PolarHBondContact O-N 2.88Å; R346-V350 WeakPolarHBondContact O-CG2 3.01Å; R346-V350 PolarHBondContact O-N 3.08Å
347M62.8Low70.4Confident116 Ų11698.5 Ų98.557%0.57147%0.469SS*.Hα-helixtrans-75.1-42.7175.9-68.8-59.5-6700110.8H344 A349 V350 R351H344-M347 HydrophobicContact CB-CB 4.46Å; H344-M347 HydrophobicContact CB-CG 4.38Å; H344-M347 WeakPolarHBondContact O-CB 3.32Å; H344-M347 PolarHBondContact O-N 3.21Å; M347-A349 VanDerWaalsContact C-N 3.33Å; M347-A349 PolarHBondContact O-N 3.4Å; M347-V350 CarbonylContact O-C 3.58Å; M347-V350 WeakPolarHBondContact O-CA 3.46Å; M347-V350 WeakPolarHBondContact O-CB 3.45Å; M347-V350 PolarHBondContact O-N 3.31Å; M347-R351 PolarHBondContact O-N 3.49Å
348E67.4Low70.8Confident78 Ų7890.9 Ų90.936%0.36444%0.439SS..Hα-helixtrans-56.1-47.3171.4-176.4-173.3-152.900111.4H344 V350 R351 L352H344-E348 PolarHBondContact O-N 3.42Å; E348-V350 PolarHBondContact O-N 2.99Å; E348-V350 VanDerWaalsContact O-N 3.11Å; E348-R351 WeakPolarHBondContact O-CB 3.3Å; E348-R351 PolarHBondContact O-N 2.63Å; E348-R351 VanDerWaalsContact O-N 3.16Å; E348-L352 HydrophobicContact CG-CD1 3.99Å; E348-L352 HydrophobicContact CG-CG 4.43Å; E348-L352 WeakPolarHBondContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CG 3.13Å; E348-L352 PolarHBondContact O-N 2.78Å
349A73Confident71.6Confident44 Ų4492.2 Ų92.236%0.36444%0.437SS..Hα-helixtrans-69-3.6174.200000114.3R345 M347 R353R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.37Å; M347-A349 VanDerWaalsContact C-N 3.33Å; M347-A349 PolarHBondContact O-N 3.4Å; A349-R353 VanDerWaalsContact O-CZ 3.23Å; A349-R353 PolarHBondContact O-NE 2.87Å; A349-R353 PolarHBondContact O-NH2 3.48Å
350V74.9Confident72.7Confident62 Ų6292 Ų9238%0.37644%0.441SS..Hα-helixtrans-95.3-43.5166.4168.30000110.2R346 M347 E348 R353 K354R346-V350 WeakPolarHBondContact O-CG2 3.01Å; R346-V350 PolarHBondContact O-N 3.08Å; M347-V350 CarbonylContact O-C 3.58Å; M347-V350 WeakPolarHBondContact O-CA 3.46Å; M347-V350 WeakPolarHBondContact O-CB 3.45Å; M347-V350 PolarHBondContact O-N 3.31Å; E348-V350 PolarHBondContact O-N 2.99Å; E348-V350 VanDerWaalsContact O-N 3.11Å; V350-R353 WeakPolarHBondContact O-CA 3.44Å; V350-R353 WeakPolarHBondContact O-CB 3.26Å; V350-R353 PolarHBondContact O-N 3.32Å; V350-K354 PolarHBondContact O-N 3.26Å
351R79Confident74.1Confident84 Ų8487 Ų8732%0.31741%0.407SS..Hα-helixtrans-50.5-58.3170.4175.4-176.873.582.5-2.2110.8M347 E348 R353 K354 E355M347-R351 PolarHBondContact O-N 3.49Å; E348-R351 WeakPolarHBondContact O-CB 3.3Å; E348-R351 PolarHBondContact O-N 2.63Å; E348-R351 VanDerWaalsContact O-N 3.16Å; R351-R353 PolarHBondContact O-N 2.73Å; R351-R353 VanDerWaalsContact O-N 3.1Å; R351-K354 PolarHBondContact O-N 2.59Å; R351-E355 WeakPolarHBondContact CD-OE1 3.47Å; R351-E355 VanDerWaalsContact CG-CD 3.48Å; R351-E355 HydrophobicContact CG-CG 4.39Å; R351-E355 WeakPolarHBondContact CG-OE1 3.32Å; R351-E355 IonicContact CZ-OE1 2.65Å; R351-E355 IonicContact CZ-OE2 3.35Å; R351-E355 IonicContact NE-OE1 3.9Å; R351-E355 IonicContact NH1-OE1 3.51Å; R351-E355 PolarHBondContact NH1-OE1 3.33Å; R351-E355 IonicContact NH1-OE2 2.69Å; R351-E355 PolarHBondContact NH1-OE2 2.84Å; R351-E355 WeakPolarHBondContact O-CG 3.44Å; R351-E355 PolarHBondContact O-N 3.44Å
352L77.4Confident75Confident68 Ų6887.1 Ų87.136%0.35640%0.399SS..Hα-helixtrans-58.4-25.9177.3-68.2169.4000113.1E348 N356E348-L352 HydrophobicContact CG-CD1 3.99Å; E348-L352 HydrophobicContact CG-CG 4.43Å; E348-L352 WeakPolarHBondContact O-CB 3.24Å; E348-L352 WeakPolarHBondContact O-CG 3.13Å; E348-L352 PolarHBondContact O-N 2.78Å; L352-N356 WeakPolarHBondContact O-CB 3.3Å; L352-N356 PolarHBondContact O-N 2.79Å; L352-N356 PolarHBondContact O-ND2 2.94Å; L352-N356 PolarHBondContact O-OD1 2.91Å
353R80.8Confident76.1Confident161 Ų16189.8 Ų89.861%0.60841%0.405SS*.Hα-helixtrans-78.5-35.7174.8-98.3-179-71.3160.34.1112.8A349 V350 R351 Q357A349-R353 VanDerWaalsContact O-CZ 3.23Å; A349-R353 PolarHBondContact O-NE 2.87Å; A349-R353 PolarHBondContact O-NH2 3.48Å; V350-R353 WeakPolarHBondContact O-CA 3.44Å; V350-R353 WeakPolarHBondContact O-CB 3.26Å; V350-R353 PolarHBondContact O-N 3.32Å; R351-R353 PolarHBondContact O-N 2.73Å; R351-R353 VanDerWaalsContact O-N 3.1Å; R353-Q357 WeakPolarHBondContact O-CB 3.18Å; R353-Q357 PolarHBondContact O-N 3.03Å
354K82.8Confident77.3Confident52 Ų5285.5 Ų85.523%0.22639%0.392CS..Hα-helixtrans-70.1-45.6172.6-72.6-163.9164.4-155.70111.2L298 E302 M306 V350 R351 Q357 I358L298-K354 HydrophobicContact CD2-CB 3.93Å; L298-K354 HydrophobicContact CD2-CD 3.41Å; L298-K354 VanDerWaalsContact CD2-CD 3.41Å; L298-K354 HydrophobicContact CD2-CG 3.58Å; E302-K354 IonicContact OE1-NZ 2.81Å; E302-K354 PolarHBondContact OE1-NZ 3.05Å; E302-K354 IonicContact OE2-NZ 3.22Å; E302-K354 PolarHBondContact OE2-NZ 3.27Å; M306-K354 HydrophobicContact CE-CB 4.05Å; V350-K354 PolarHBondContact O-N 3.26Å; R351-K354 PolarHBondContact O-N 2.59Å; K354-Q357 WeakPolarHBondContact O-CB 3.26Å; K354-Q357 PolarHBondContact O-N 3.48Å; K354-I358 PolarHBondContact O-N 2.91Å
355E76.6Confident77.6Confident24 Ų2483.7 Ų83.711%0.11238%0.381CS..Hα-helixtrans-59.5-53.6175.4-71164.217700111.3I316 R351 Q357 I358 Y359I316-E355 HydrophobicContact CD1-CG 4.05Å; R351-E355 WeakPolarHBondContact CD-OE1 3.47Å; R351-E355 VanDerWaalsContact CG-CD 3.48Å; R351-E355 HydrophobicContact CG-CG 4.39Å; R351-E355 WeakPolarHBondContact CG-OE1 3.32Å; R351-E355 IonicContact CZ-OE1 2.65Å; R351-E355 IonicContact CZ-OE2 3.35Å; R351-E355 IonicContact NE-OE1 3.9Å; R351-E355 IonicContact NH1-OE1 3.51Å; R351-E355 PolarHBondContact NH1-OE1 3.33Å; R351-E355 IonicContact NH1-OE2 2.69Å; R351-E355 PolarHBondContact NH1-OE2 2.84Å; R351-E355 WeakPolarHBondContact O-CG 3.44Å; R351-E355 PolarHBondContact O-N 3.44Å; E355-Q357 PolarHBondContact O-N 3.38Å; E355-Q357 VanDerWaalsContact O-N 3.12Å; E355-I358 WeakPolarHBondContact O-CB 3.27Å; E355-I358 PolarHBondContact O-N 3.06Å; E355-Y359 HydrophobicContact CB-CD2 4.32Å; E355-Y359 HydrophobicContact CB-CE2 3.93Å; E355-Y359 VanDerWaalsContact O-CD2 3.23Å; E355-Y359 WeakPolarHBondContact O-CD2 3.41Å; E355-Y359 PolarHBondContact O-N 3.45Å
356N83.7Confident78Confident90 Ų9076.6 Ų76.648%0.48137%0.368SS..Hα-helixtrans-62.5-23.1178.1-69.52.1000113.5L352 S360L352-N356 WeakPolarHBondContact O-CB 3.3Å; L352-N356 PolarHBondContact O-N 2.79Å; L352-N356 PolarHBondContact O-ND2 2.94Å; L352-N356 PolarHBondContact O-OD1 2.91Å; N356-S360 WeakPolarHBondContact O-CB 3.42Å; N356-S360 PolarHBondContact O-N 2.75Å; N356-S360 PolarHBondContact O-OG 3.08Å
357Q80.3Confident78.6Confident46 Ų4672.2 Ų72.222%0.21536%0.359CS..Hα-helixtrans-74.3-32.4174.6171.6-179.9-20.700112Y294 G295 R353 K354 E355 A361Y294-Q357 WeakPolarHBondContact O-CG 3.27Å; Y294-Q357 PolarHBondContact O-NE2 2.93Å; G295-Q357 PolarHBondContact O-NE2 3.08Å; R353-Q357 WeakPolarHBondContact O-CB 3.18Å; R353-Q357 PolarHBondContact O-N 3.03Å; K354-Q357 WeakPolarHBondContact O-CB 3.26Å; K354-Q357 PolarHBondContact O-N 3.48Å; E355-Q357 PolarHBondContact O-N 3.38Å; E355-Q357 VanDerWaalsContact O-N 3.12Å; Q357-A361 PolarHBondContact O-N 2.93Å
358I80Confident79.8Confident0 Ų069.3 Ų69.30%035%0.354CS..Hα-helixtrans-74.5-52.2172-64154.3000109.9Y294 L298 M306 A307 K354 E355 S360 A361 D362Y294-I358 HydrophobicContact CD1-CG1 4.43Å; Y294-I358 HydrophobicContact CD1-CG2 4.44Å; Y294-I358 HydrophobicContact CE1-CG2 4.41Å; L298-I358 HydrophobicContact CD1-CD1 4.26Å; L298-I358 HydrophobicContact CD1-CG1 4.02Å; M306-I358 HydrophobicContact CB-CD1 3.42Å; M306-I358 VanDerWaalsContact CB-CD1 3.42Å; M306-I358 HydrophobicContact CE-CD1 3.62Å; M306-I358 HydrophobicContact CG-CD1 4.24Å; M306-I358 HydrophobicContact SD-CD1 3.92Å; A307-I358 HydrophobicContact CB-CG2 3.9Å; K354-I358 PolarHBondContact O-N 2.91Å; E355-I358 WeakPolarHBondContact O-CB 3.27Å; E355-I358 PolarHBondContact O-N 3.06Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.16Å; I358-A361 WeakPolarHBondContact O-CA 3.42Å; I358-A361 WeakPolarHBondContact O-CB 3.46Å; I358-A361 PolarHBondContact O-N 3.09Å; I358-D362 VanDerWaalsContact CG2-OD2 3.31Å; I358-D362 WeakPolarHBondContact CG2-OD2 3.41Å; I358-D362 PolarHBondContact O-N 3.29Å
359Y76.8Confident80.6Confident99 Ų9967.9 Ų67.939%0.38835%0.352SS..Hα-helixtrans-53.4-47.7174.5-62.8-52.9000111.3V310 E355 A361 D362 E363V310-Y359 HydrophobicContact CG1-CD1 4.16Å; V310-Y359 HydrophobicContact CG1-CE1 3.54Å; V310-Y359 HydrophobicContact CG2-CE1 4.43Å; E355-Y359 HydrophobicContact CB-CD2 4.32Å; E355-Y359 HydrophobicContact CB-CE2 3.93Å; E355-Y359 VanDerWaalsContact O-CD2 3.23Å; E355-Y359 WeakPolarHBondContact O-CD2 3.41Å; E355-Y359 PolarHBondContact O-N 3.45Å; Y359-A361 PolarHBondContact O-N 3.15Å; Y359-A361 VanDerWaalsContact O-N 3.12Å; Y359-D362 PolarHBondContact O-N 3.06Å; Y359-E363 WeakPolarHBondContact O-CB 3.29Å; Y359-E363 WeakPolarHBondContact O-CG 3.44Å; Y359-E363 PolarHBondContact O-N 3.22Å
360S82.7Confident81.3Confident47 Ų4772.1 Ų72.133%0.32936%0.362SS..Hα-helixtrans-64.6-13.4174.7-74.70000114.8N356 I358 K364N356-S360 WeakPolarHBondContact O-CB 3.42Å; N356-S360 PolarHBondContact O-N 2.75Å; N356-S360 PolarHBondContact O-OG 3.08Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.16Å; S360-K364 WeakPolarHBondContact O-CD 3.33Å; S360-K364 VanDerWaalsContact O-CG 3.27Å; S360-K364 WeakPolarHBondContact O-CG 3.48Å; S360-K364 PolarHBondContact O-NZ 3.45Å
361A79.4Confident82.1Confident21 Ų2173.5 Ų73.517%0.17437%0.368CS..Hα-helixtrans-90.8-48.7172.600000110.4Y294 Q357 I358 Y359 K364 R365Y294-A361 HydrophobicContact CD1-CB 3.93Å; Y294-A361 HydrophobicContact CE1-CB 4.48Å; Q357-A361 PolarHBondContact O-N 2.93Å; I358-A361 WeakPolarHBondContact O-CA 3.42Å; I358-A361 WeakPolarHBondContact O-CB 3.46Å; I358-A361 PolarHBondContact O-N 3.09Å; Y359-A361 PolarHBondContact O-N 3.15Å; Y359-A361 VanDerWaalsContact O-N 3.12Å; A361-K364 PolarHBondContact O-N 3.45Å; A361-R365 PolarHBondContact O-N 2.99Å
362D76.9Confident82.6Confident40 Ų4073.8 Ų73.821%0.21437%0.373CS..Hα-helixtrans-70.4-36.8-177.6-66.4-43.4000112.7I358 Y359 K364 R365 A366I358-D362 VanDerWaalsContact CG2-OD2 3.31Å; I358-D362 WeakPolarHBondContact CG2-OD2 3.41Å; I358-D362 PolarHBondContact O-N 3.29Å; Y359-D362 PolarHBondContact O-N 3.06Å; D362-K364 VanDerWaalsContact C-N 3.3Å; D362-K364 PolarHBondContact O-N 2.94Å; D362-R365 PolarHBondContact O-N 3.32Å; D362-A366 WeakPolarHBondContact O-CB 3.35Å; D362-A366 PolarHBondContact O-N 3.35Å
363E81.5Confident83.2Confident112 Ų11274.5 Ų74.552%0.52337%0.374SS..Hα-helixtrans-55.8-44.5168.3-74.1164.5-16200111.4Y359 L367Y359-E363 WeakPolarHBondContact O-CB 3.29Å; Y359-E363 WeakPolarHBondContact O-CG 3.44Å; Y359-E363 PolarHBondContact O-N 3.22Å; E363-L367 WeakPolarHBondContact O-CB 3.39Å; E363-L367 VanDerWaalsContact O-CG 3.26Å; E363-L367 WeakPolarHBondContact O-CG 3.36Å; E363-L367 PolarHBondContact O-N 3.37Å
364K85.3Confident83.6Confident132 Ų13270.5 Ų70.557%0.57436%0.362SS*.Hα-helixtrans-70.4-36.9179.7-69.9-172.9-167.788.10111.8S360 A361 D362 A368S360-K364 WeakPolarHBondContact O-CD 3.33Å; S360-K364 VanDerWaalsContact O-CG 3.27Å; S360-K364 WeakPolarHBondContact O-CG 3.48Å; S360-K364 PolarHBondContact O-NZ 3.45Å; A361-K364 PolarHBondContact O-N 3.45Å; D362-K364 VanDerWaalsContact C-N 3.3Å; D362-K364 PolarHBondContact O-N 2.94Å; K364-A368 WeakPolarHBondContact O-CB 3.22Å; K364-A368 PolarHBondContact O-N 3.45Å
365R82.2Confident84.1Confident69 Ų6975.1 Ų75.126%0.2638%0.379SS..Hα-helixtrans-62.5-50.4173175.4179.1170.6-179.51.7110.6D288 A361 D362 L367 A368 S369D288-R365 VanDerWaalsContact CA-NH2 3.32Å; D288-R365 IonicContact OD1-CZ 3.58Å; D288-R365 IonicContact OD1-NE 3.45Å; D288-R365 IonicContact OD1-NH2 3.38Å; D288-R365 PolarHBondContact OD1-NH2 3.29Å; A361-R365 PolarHBondContact O-N 2.99Å; D362-R365 PolarHBondContact O-N 3.32Å; R365-L367 PolarHBondContact O-N 3.5Å; R365-A368 PolarHBondContact O-N 3.39Å; R365-S369 WeakPolarHBondContact O-CB 3.35Å; R365-S369 PolarHBondContact O-N 3.08Å; R365-S369 PolarHBondContact O-OG 3.32Å
366A83.2Confident84.8Confident62 Ų6279.6 Ų79.651%0.51239%0.394SS..Hα-helixtrans-57.6-47.9177.600000112D362 A368 S369 F370D362-A366 WeakPolarHBondContact O-CB 3.35Å; D362-A366 PolarHBondContact O-N 3.35Å; A366-A368 PolarHBondContact O-N 3.34Å; A366-S369 PolarHBondContact O-N 3.39Å; A366-F370 WeakPolarHBondContact O-CB 3.34Å; A366-F370 PolarHBondContact O-N 3.06Å
367L84.6Confident85.4Confident109 Ų10981.4 Ų81.457%0.57140%0.398SS*.Hα-helixtrans-65-37.4176.4-69.9170.1000112.9E363 R365 N371E363-L367 WeakPolarHBondContact O-CB 3.39Å; E363-L367 VanDerWaalsContact O-CG 3.26Å; E363-L367 WeakPolarHBondContact O-CG 3.36Å; E363-L367 PolarHBondContact O-N 3.37Å; R365-L367 PolarHBondContact O-N 3.5Å; L367-N371 WeakPolarHBondContact O-CB 3.49Å; L367-N371 PolarHBondContact O-N 3.01Å; L367-N371 PolarHBondContact O-ND2 3.02Å; L367-N371 VanDerWaalsContact O-ND2 3.08Å
368A86.9Confident86.1Confident56 Ų5685.7 Ų85.746%0.46341%0.412SS..Hα-helixtrans-67.9-46.4176.500000111.9K364 R365 A366 F370 N371 Q372K364-A368 WeakPolarHBondContact O-CB 3.22Å; K364-A368 PolarHBondContact O-N 3.45Å; R365-A368 PolarHBondContact O-N 3.39Å; A366-A368 PolarHBondContact O-N 3.34Å; A368-F370 PolarHBondContact O-N 3.01Å; A368-N371 PolarHBondContact O-N 3.14Å; A368-Q372 WeakPolarHBondContact O-CB 3.18Å; A368-Q372 PolarHBondContact O-N 3.01Å
369S84.2Confident86.8Confident47 Ų4789.1 Ų89.133%0.32943%0.428SS..Hα-helixtrans-59.7-44.7175.3-660000111.5R365 A366 Q372 E373R365-S369 WeakPolarHBondContact O-CB 3.35Å; R365-S369 PolarHBondContact O-N 3.08Å; R365-S369 PolarHBondContact O-OG 3.32Å; A366-S369 PolarHBondContact O-N 3.39Å; S369-Q372 PolarHBondContact O-N 3.47Å; S369-E373 WeakPolarHBondContact O-CB 3.41Å; S369-E373 PolarHBondContact O-N 3.45Å
370F88.4Confident87.7Confident133 Ų13389.2 Ų89.258%0.58344%0.435SS*.Hα-helixtrans-59-49.6175.5-178.2-94.7000111.8A366 A368 Q372 E373 E374A366-F370 WeakPolarHBondContact O-CB 3.34Å; A366-F370 PolarHBondContact O-N 3.06Å; A368-F370 PolarHBondContact O-N 3.01Å; F370-Q372 VanDerWaalsContact C-N 3.3Å; F370-Q372 PolarHBondContact O-N 2.87Å; F370-E373 PolarHBondContact O-N 2.9Å; F370-E374 WeakPolarHBondContact O-CB 3.24Å; F370-E374 PolarHBondContact O-N 3.42Å
371N91.8Very high88.4Confident92 Ų9294.8 Ų94.849%0.49245%0.454SS..Hα-helixtrans-62.1-36.2177.3-70.6-27.3000112.5L367 A368 R375L367-N371 WeakPolarHBondContact O-CB 3.49Å; L367-N371 PolarHBondContact O-N 3.01Å; L367-N371 PolarHBondContact O-ND2 3.02Å; L367-N371 VanDerWaalsContact O-ND2 3.08Å; A368-N371 PolarHBondContact O-N 3.14Å; N371-R375 WeakPolarHBondContact O-CB 3.36Å; N371-R375 PolarHBondContact O-N 2.87Å
372Q88.6Confident89.2Confident89 Ų8999.4 Ų99.442%0.41647%0.474SS..Hα-helixtrans-73.2-34.3176.7-168.6-172.99.400112.2A368 S369 F370 R376A368-Q372 WeakPolarHBondContact O-CB 3.18Å; A368-Q372 PolarHBondContact O-N 3.01Å; S369-Q372 PolarHBondContact O-N 3.47Å; F370-Q372 VanDerWaalsContact C-N 3.3Å; F370-Q372 PolarHBondContact O-N 2.87Å; Q372-R376 WeakPolarHBondContact O-CB 3.42Å; Q372-R376 WeakPolarHBondContact O-CG 3.37Å; Q372-R376 PolarHBondContact O-N 3.49Å; Q372-R376 PolarHBondContact O-NE 2.9Å
373E89.9Confident90.1Very high83 Ų83101.7 Ų101.739%0.38849%0.486SS..Hα-helixtrans-71.6-43.5174.6-163.3-163.9137.100111.5S369 F370 R375 R376 K377S369-E373 WeakPolarHBondContact O-CB 3.41Å; S369-E373 PolarHBondContact O-N 3.45Å; F370-E373 PolarHBondContact O-N 2.9Å; E373-R375 VanDerWaalsContact C-N 3.31Å; E373-R375 PolarHBondContact O-N 2.92Å; E373-R376 PolarHBondContact O-N 2.7Å; E373-K377 WeakPolarHBondContact O-CG 3.45Å; E373-K377 PolarHBondContact O-N 2.81Å; E373-K377 WeakPolarHBondContact OE1-CE 3.24Å; E373-K377 IonicContact OE1-NZ 3.64Å; E373-K377 PolarHBondContact OE1-NZ 3.28Å
374E90.9Very high90.8Very high77 Ų7799 Ų9936%0.3648%0.483SS..Hα-helixtrans-61-42.7173.8-157.8-145165.600110.8F370 K377 R378F370-E374 WeakPolarHBondContact O-CB 3.24Å; F370-E374 PolarHBondContact O-N 3.42Å; E374-K377 WeakPolarHBondContact O-CB 3.5Å; E374-K377 PolarHBondContact O-N 3.28Å; E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.01Å; E374-R378 IonicContact OE1-CZ 2.78Å; E374-R378 IonicContact OE1-NE 3.69Å; E374-R378 IonicContact OE1-NH2 3.16Å; E374-R378 PolarHBondContact OE1-NH2 3.01Å; E374-R378 IonicContact OE2-CZ 2.79Å; E374-R378 IonicContact OE2-NH1 3.86Å; E374-R378 IonicContact OE2-NH2 2.59Å; E374-R378 PolarHBondContact OE2-NH2 3.11Å
375R92.3Very high91.2Very high150 Ų15095.7 Ų95.757%0.56648%0.476SS*.Hα-helixtrans-60-48.9172.9-179.7173.7171.7150.88.2112N371 E373 K377 R378 E379N371-R375 WeakPolarHBondContact O-CB 3.36Å; N371-R375 PolarHBondContact O-N 2.87Å; E373-R375 VanDerWaalsContact C-N 3.31Å; E373-R375 PolarHBondContact O-N 2.92Å; R375-K377 VanDerWaalsContact C-N 3.28Å; R375-K377 PolarHBondContact O-N 2.9Å; R375-R378 WeakPolarHBondContact O-CB 3.35Å; R375-R378 PolarHBondContact O-N 3.35Å; R375-R378 VanDerWaalsContact O-N 3.11Å; R375-E379 HydrophobicContact CG-CG 4.41Å; R375-E379 IonicContact CZ-OE1 2.81Å; R375-E379 IonicContact NE-OE1 3.76Å; R375-E379 PolarHBondContact NE-OE1 2.95Å; R375-E379 IonicContact NE-OE2 3.26Å; R375-E379 IonicContact NH2-OE1 3.91Å; R375-E379 PolarHBondContact NH2-OE1 2.98Å; R375-E379 WeakPolarHBondContact O-CG 3.41Å; R375-E379 PolarHBondContact O-N 3.47Å
376R92.3Very high92Very high118 Ų11898.5 Ų98.545%0.44549%0.491SS..Hα-helixtrans-58.9-36.8174.6-80.4178.9-69.7161.3-2.1112.5Q372 E373 E379 N380Q372-R376 WeakPolarHBondContact O-CB 3.42Å; Q372-R376 WeakPolarHBondContact O-CG 3.37Å; Q372-R376 PolarHBondContact O-N 3.49Å; Q372-R376 PolarHBondContact O-NE 2.9Å; E373-R376 PolarHBondContact O-N 2.7Å; R376-E379 PolarHBondContact O-N 2.9Å; R376-N380 VanDerWaalsContact O-CB 3.24Å; R376-N380 WeakPolarHBondContact O-CB 3.47Å; R376-N380 PolarHBondContact O-N 3.43Å; R376-N380 PolarHBondContact O-OD1 2.97Å
377K95.3Very high92.5Very high127 Ų127104.3 Ų104.355%0.55250%0.499SS*.Hα-helixtrans-64.4-40.3174.7-76.6166.5170.2170.60112E373 E374 R375 K381E373-K377 WeakPolarHBondContact O-CG 3.45Å; E373-K377 PolarHBondContact O-N 2.81Å; E373-K377 WeakPolarHBondContact OE1-CE 3.24Å; E373-K377 IonicContact OE1-NZ 3.64Å; E373-K377 PolarHBondContact OE1-NZ 3.28Å; E374-K377 WeakPolarHBondContact O-CB 3.5Å; E374-K377 PolarHBondContact O-N 3.28Å; R375-K377 VanDerWaalsContact C-N 3.28Å; R375-K377 PolarHBondContact O-N 2.9Å; K377-K381 PolarHBondContact O-N 3.02Å; K377-K381 VanDerWaalsContact O-N 3.14Å
378R95.4Very high93Very high137 Ų137104 Ų10452%0.51750%0.495SS..Hα-helixtrans-65.8-46.7172.5-61.9-178.3-160.1128.9-7111.7E374 R375 K381 I382E374-R378 WeakPolarHBondContact O-CG 3.47Å; E374-R378 PolarHBondContact O-N 3.01Å; E374-R378 IonicContact OE1-CZ 2.78Å; E374-R378 IonicContact OE1-NE 3.69Å; E374-R378 IonicContact OE1-NH2 3.16Å; E374-R378 PolarHBondContact OE1-NH2 3.01Å; E374-R378 IonicContact OE2-CZ 2.79Å; E374-R378 IonicContact OE2-NH1 3.86Å; E374-R378 IonicContact OE2-NH2 2.59Å; E374-R378 PolarHBondContact OE2-NH2 3.11Å; R375-R378 WeakPolarHBondContact O-CB 3.35Å; R375-R378 PolarHBondContact O-N 3.35Å; R375-R378 VanDerWaalsContact O-N 3.11Å; R378-K381 PolarHBondContact O-N 3.27Å; R378-I382 WeakPolarHBondContact O-CG1 3.3Å; R378-I382 PolarHBondContact O-N 3.31Å
379E95.1Very high93.3Very high71 Ų71106.9 Ų106.933%0.33250%0.5SS..Hα-helixtrans-63.5-43.6-179.9-72167.516000111.5R375 R376 K381 I382 L383R375-E379 HydrophobicContact CG-CG 4.41Å; R375-E379 IonicContact CZ-OE1 2.81Å; R375-E379 IonicContact NE-OE1 3.76Å; R375-E379 PolarHBondContact NE-OE1 2.95Å; R375-E379 IonicContact NE-OE2 3.26Å; R375-E379 IonicContact NH2-OE1 3.91Å; R375-E379 PolarHBondContact NH2-OE1 2.98Å; R375-E379 WeakPolarHBondContact O-CG 3.41Å; R375-E379 PolarHBondContact O-N 3.47Å; R376-E379 PolarHBondContact O-N 2.9Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 2.74Å; E379-I382 PolarHBondContact O-N 3.15Å; E379-I382 VanDerWaalsContact O-N 3.16Å; E379-L383 WeakPolarHBondContact O-CG 3.46Å; E379-L383 PolarHBondContact O-N 2.8Å
380N95.6Very high93.7Very high101 Ų101107.7 Ų107.754%0.5450%0.503SS..Hα-helixtrans-61.4-37173.4-74-5.3000112.7R376 L383 A384R376-N380 VanDerWaalsContact O-CB 3.24Å; R376-N380 WeakPolarHBondContact O-CB 3.47Å; R376-N380 PolarHBondContact O-N 3.43Å; R376-N380 PolarHBondContact O-OD1 2.97Å; N380-L383 PolarHBondContact O-N 3.2Å; N380-A384 WeakPolarHBondContact O-CB 3.34Å; N380-A384 PolarHBondContact O-N 2.83Å
381K96.4Very high93.9Very high165 Ų165108.6 Ų108.672%0.71750%0.504SS*.Hα-helixtrans-66.2-38.3174.8-174.1173.6-179.4176.10111.9K377 R378 E379 S385K377-K381 PolarHBondContact O-N 3.02Å; K377-K381 VanDerWaalsContact O-N 3.14Å; R378-K381 PolarHBondContact O-N 3.27Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 2.74Å; K381-S385 WeakPolarHBondContact O-CB 3.18Å; K381-S385 PolarHBondContact O-N 2.86Å
382I96.3Very high93.9Very high117 Ų117112.5 Ų112.560%0.651%0.511SS*.Hα-helixtrans-66-45.7174.4-65.8163.8000110.2R378 E379 A384 S385 F386R378-I382 WeakPolarHBondContact O-CG1 3.3Å; R378-I382 PolarHBondContact O-N 3.31Å; E379-I382 PolarHBondContact O-N 3.15Å; E379-I382 VanDerWaalsContact O-N 3.16Å; I382-A384 VanDerWaalsContact C-N 3.34Å; I382-A384 PolarHBondContact O-N 3.22Å; I382-S385 PolarHBondContact O-N 3.45Å; I382-F386 WeakPolarHBondContact O-CB 3.41Å; I382-F386 PolarHBondContact O-N 2.8Å
383L96Very high94Very high88 Ų88116 Ų11646%0.46153%0.525SS..Hα-helixtrans-61.7-39.3176.2-70.1172.2000112.5E379 N380 F386 R387E379-L383 WeakPolarHBondContact O-CG 3.46Å; E379-L383 PolarHBondContact O-N 2.8Å; N380-L383 PolarHBondContact O-N 3.2Å; L383-F386 PolarHBondContact O-N 3.36Å; L383-R387 WeakPolarHBondContact O-CB 3.26Å; L383-R387 VanDerWaalsContact O-CG 3.23Å; L383-R387 WeakPolarHBondContact O-CG 3.42Å; L383-R387 PolarHBondContact O-N 2.74Å
384A95.7Very high93.9Very high55 Ų55115.5 Ų115.546%0.45553%0.528SS..Hα-helixtrans-63.9-46.6174.700000111.8N380 I382 F386 R387 E388N380-A384 WeakPolarHBondContact O-CB 3.34Å; N380-A384 PolarHBondContact O-N 2.83Å; I382-A384 VanDerWaalsContact C-N 3.34Å; I382-A384 PolarHBondContact O-N 3.22Å; A384-F386 VanDerWaalsContact C-N 3.33Å; A384-F386 PolarHBondContact O-N 3.13Å; A384-R387 PolarHBondContact O-N 3.39Å; A384-E388 PolarHBondContact O-N 2.77Å
385S94.9Very high93.3Very high64 Ų64116.2 Ų116.245%0.44853%0.53SS..Hα-helixtrans-63.9-36.2176.6-177.50000112.6K381 I382 E388 M389K381-S385 WeakPolarHBondContact O-CB 3.18Å; K381-S385 PolarHBondContact O-N 2.86Å; I382-S385 PolarHBondContact O-N 3.45Å; S385-E388 PolarHBondContact O-N 2.83Å; S385-M389 WeakPolarHBondContact O-CB 3.45Å; S385-M389 PolarHBondContact O-N 3.26Å
386F97.3Very high91.9Very high127 Ų127112 Ų11256%0.55753%0.533SS*.Hα-helixtrans-67.8-43.1174-174.3-101000112.1I382 L383 A384 E388 M389 V390I382-F386 WeakPolarHBondContact O-CB 3.41Å; I382-F386 PolarHBondContact O-N 2.8Å; L383-F386 PolarHBondContact O-N 3.36Å; A384-F386 VanDerWaalsContact C-N 3.33Å; A384-F386 PolarHBondContact O-N 3.13Å; F386-E388 VanDerWaalsContact C-N 3.34Å; F386-E388 PolarHBondContact O-N 2.91Å; F386-M389 PolarHBondContact O-N 3.06Å; F386-V390 HydrophobicContact CD1-CG2 4.13Å; F386-V390 HydrophobicContact CE1-CG2 3.7Å; F386-V390 HydrophobicContact CE2-CG2 4.27Å; F386-V390 HydrophobicContact CZ-CG2 3.78Å; F386-V390 WeakPolarHBondContact O-CG2 3.38Å; F386-V390 PolarHBondContact O-N 3.12Å
387R95.1Very high90.3Very high185 Ų185114 Ų11470%0.69855%0.545SS*.Hα-helixtrans-58.7-44173.6-73.9168.4-178.3-172.1-0.3111.6L383 A384 V390 Y391L383-R387 WeakPolarHBondContact O-CB 3.26Å; L383-R387 VanDerWaalsContact O-CG 3.23Å; L383-R387 WeakPolarHBondContact O-CG 3.42Å; L383-R387 PolarHBondContact O-N 2.74Å; A384-R387 PolarHBondContact O-N 3.39Å; R387-V390 PolarHBondContact O-N 3.41Å; R387-Y391 VanDerWaalsContact O-CB 3.25Å; R387-Y391 WeakPolarHBondContact O-CB 3.43Å; R387-Y391 PolarHBondContact O-N 3.37Å
388E93.7Very high88.7Confident101 Ų101113 Ų11347%0.47255%0.545SS..Hα-helixtrans-60.8-47.4174.4-168.2-147.5131.900111.6A384 S385 F386 V390 Y391 R392A384-E388 PolarHBondContact O-N 2.77Å; S385-E388 PolarHBondContact O-N 2.83Å; F386-E388 VanDerWaalsContact C-N 3.34Å; F386-E388 PolarHBondContact O-N 2.91Å; E388-V390 PolarHBondContact O-N 3.36Å; E388-Y391 PolarHBondContact O-N 3.38Å; E388-R392 HydrophobicContact CG-CG 4.49Å; E388-R392 WeakPolarHBondContact O-CB 3.25Å; E388-R392 VanDerWaalsContact O-CG 3.28Å; E388-R392 WeakPolarHBondContact O-CG 3.31Å; E388-R392 PolarHBondContact O-N 3.11Å; E388-R392 WeakPolarHBondContact OE1-CD 3.16Å; E388-R392 IonicContact OE1-CZ 3.76Å; E388-R392 IonicContact OE1-NE 2.69Å; E388-R392 IonicContact OE1-NH1 3.92Å; E388-R392 PolarHBondContact OE1-NH1 3.06Å
389M93.4Very high86.9Confident118 Ų118113.1 Ų113.158%0.58156%0.557SS**Hα-helixtrans-60.7-43179.1-172.7-170.5-62.200112.3S385 F386 K393S385-M389 WeakPolarHBondContact O-CB 3.45Å; S385-M389 PolarHBondContact O-N 3.26Å; F386-M389 PolarHBondContact O-N 3.06Å; M389-K393 WeakPolarHBondContact O-CB 3.48Å; M389-K393 PolarHBondContact O-N 2.93Å
390V94.4Very high84.7Confident64 Ų64121.9 Ų121.939%0.38859%0.593SS.*Hα-helixtrans-66.2-49.5176.1172.60000110.4F386 R387 E388 R392 K393 T394F386-V390 HydrophobicContact CD1-CG2 4.13Å; F386-V390 HydrophobicContact CE1-CG2 3.7Å; F386-V390 HydrophobicContact CE2-CG2 4.27Å; F386-V390 HydrophobicContact CZ-CG2 3.78Å; F386-V390 WeakPolarHBondContact O-CG2 3.38Å; F386-V390 PolarHBondContact O-N 3.12Å; R387-V390 PolarHBondContact O-N 3.41Å; E388-V390 PolarHBondContact O-N 3.36Å; V390-R392 VanDerWaalsContact C-N 3.33Å; V390-R392 PolarHBondContact O-N 3.15Å; V390-K393 CarbonylContact O-C 3.52Å; V390-K393 WeakPolarHBondContact O-CA 3.42Å; V390-K393 PolarHBondContact O-N 2.63Å; V390-T394 HydrophobicContact CG1-CG2 4.33Å; V390-T394 PolarHBondContact O-N 3.26Å; V390-T394 PolarHBondContact O-OG1 3.15Å
391Y92.5Very high84.1Confident151 Ų151122.9 Ų122.959%0.59260%0.596SS**Hα-helixtrans-57.1-44.4179.9-175.1-93.2000112.2R387 E388 K393 T394 K395R387-Y391 VanDerWaalsContact O-CB 3.25Å; R387-Y391 WeakPolarHBondContact O-CB 3.43Å; R387-Y391 PolarHBondContact O-N 3.37Å; E388-Y391 PolarHBondContact O-N 3.38Å; Y391-K393 VanDerWaalsContact C-N 3.26Å; Y391-K393 PolarHBondContact O-N 2.84Å; Y391-T394 PolarHBondContact O-N 2.9Å; Y391-T394 PolarHBondContact O-OG1 3.44Å; Y391-K395 HydrophobicContact CD1-CG 4.38Å; Y391-K395 HydrophobicContact CD2-CG 4.42Å; Y391-K395 HydrophobicContact CE1-CG 3.97Å; Y391-K395 HydrophobicContact CE2-CG 4.03Å; Y391-K395 WeakPolarHBondContact O-CB 3.4Å; Y391-K395 PolarHBondContact O-N 3.27Å
392R89.9Confident83.5Confident174 Ų174120.7 Ų120.766%0.65759%0.59SS**Hα-helixtrans-64-29.1175.1-71.917263177.20.3113.2E388 V390E388-R392 HydrophobicContact CG-CG 4.49Å; E388-R392 WeakPolarHBondContact O-CB 3.25Å; E388-R392 VanDerWaalsContact O-CG 3.28Å; E388-R392 WeakPolarHBondContact O-CG 3.31Å; E388-R392 PolarHBondContact O-N 3.11Å; E388-R392 WeakPolarHBondContact OE1-CD 3.16Å; E388-R392 IonicContact OE1-CZ 3.76Å; E388-R392 IonicContact OE1-NE 2.69Å; E388-R392 IonicContact OE1-NH1 3.92Å; E388-R392 PolarHBondContact OE1-NH1 3.06Å; V390-R392 VanDerWaalsContact C-N 3.33Å; V390-R392 PolarHBondContact O-N 3.15Å
393K90.8Very high82.8Confident163 Ų163120.9 Ų120.971%0.70959%0.589SS**Hα-helixtrans-88.4-22.3-179.3-170.7171.1-179.3179.10113.6M389 V390 Y391M389-K393 WeakPolarHBondContact O-CB 3.48Å; M389-K393 PolarHBondContact O-N 2.93Å; V390-K393 CarbonylContact O-C 3.52Å; V390-K393 WeakPolarHBondContact O-CA 3.42Å; V390-K393 PolarHBondContact O-N 2.63Å; Y391-K393 VanDerWaalsContact C-N 3.26Å; Y391-K393 PolarHBondContact O-N 2.84Å
394T88.8Confident82Confident72 Ų72122.8 Ų122.844%0.44260%0.597SS.*Hα-helixtrans-85.5-56.9170.9540000110.9V390 Y391 G396 K397V390-T394 HydrophobicContact CG1-CG2 4.33Å; V390-T394 PolarHBondContact O-N 3.26Å; V390-T394 PolarHBondContact O-OG1 3.15Å; Y391-T394 PolarHBondContact O-N 2.9Å; Y391-T394 PolarHBondContact O-OG1 3.44Å; T394-G396 VanDerWaalsContact C-N 3.28Å; T394-G396 PolarHBondContact O-N 3.41Å; T394-K397 WeakPolarHBondContact O-CB 3.42Å; T394-K397 PolarHBondContact O-N 3.49Å
395K77.8Confident81.1Confident92 Ų92127.1 Ų127.140%0.461%0.606SS.*Hα-helixtrans-57.1-38-175.7-84-73.1173.3-161.90114Y391 K397 D398Y391-K395 HydrophobicContact CD1-CG 4.38Å; Y391-K395 HydrophobicContact CD2-CG 4.42Å; Y391-K395 HydrophobicContact CE1-CG 3.97Å; Y391-K395 HydrophobicContact CE2-CG 4.03Å; Y391-K395 WeakPolarHBondContact O-CB 3.4Å; Y391-K395 PolarHBondContact O-N 3.27Å; K395-K397 PolarHBondContact O-N 2.96Å; K395-D398 IonicContact NZ-OD2 3.38Å; K395-D398 PolarHBondContact O-N 3.05Å
396G62.2Low80.2Confident61 Ų61131.3 Ų131.363%0.62962%0.616SS**THydrogen-bonded Turntrans-66.39.217500000116.1T394T394-G396 VanDerWaalsContact C-N 3.28Å; T394-G396 PolarHBondContact O-N 3.41Å
397K60.1Low79Confident161 Ų161131.6 Ų131.670%0.762%0.62SS**THydrogen-bonded Turntrans-113.2-20.3169.4-68.4-173.3167-163.10114.2T394 K395T394-K397 WeakPolarHBondContact O-CB 3.42Å; T394-K397 PolarHBondContact O-N 3.49Å; K395-K397 PolarHBondContact O-N 2.96Å
398D60.7Low77.7Confident105 Ų105127.5 Ų127.556%0.56161%0.614SS**THydrogen-bonded Turntrans-82.6-24.5-173-52.8-29.5000111.5K395 K400K395-D398 IonicContact NZ-OD2 3.38Å; K395-D398 PolarHBondContact O-N 3.05Å; D398-K400 PolarHBondContact O-N 3.18Å
399D57.8Low76.4Confident140 Ų140129.7 Ų129.775%0.74963%0.626SS**  trans-94.941-177.7-57.4-46.6000112.6
400K48.5Very low74.9Confident255 Ų255130.7 Ų130.7100%1.10963%0.63SS**  trans-153.90-173.6-143.3179.8-172.1-177.30117.1D398D398-K400 PolarHBondContact O-N 3.18Å

Retrieved 400 of 400 residues in 129.6 ms (Link to these results)