A0A096MVT7_PAPAN Loading...

Early growth response 4

AlphaFold DB , UniProt , Accession A0A096MVT7, Species PAPAN (Papio anubis, Olive baboon), Gene EGR4, Length 589 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
1M33.4Very low38.1Very low241 Ų241139.4 Ų139.4100%1.18785%0.85SS**  0136.80-76-58.1-162.600108.3
2A35.7Very low38.4Very low97 Ų97137.7 Ų137.780%0.80284%0.844SS**  trans56.5126.9-178.800000115.9
3V38.1Very low38.7Very low137 Ų137134.3 Ų134.383%0.8384%0.839SS**  cis90.688.823.8-171.20000115.2
4A41.9Very low39.3Very low86 Ų86132.7 Ų132.771%0.71183%0.831SS**  trans42.9125132.100000122.5
5R40.1Very low39.7Very low253 Ų253132.5 Ų132.596%0.95583%0.832SS**  -173.1152.2125-96.3148.2176.2166.7-2107.9
6G34.2Very low39.5Very low71 Ų71135.3 Ų135.373%0.73283%0.831SS**  cis136.885.82.800000110.3
7V41.8Very low39Very low147 Ų147136.1 Ų136.189%0.89183%0.828SS**  trans-125.6130.3-179.7-177.30000108.6
8G34.1Very low38.7Very low71 Ų71140.5 Ų140.573%0.73283%0.829SS**PPolyproline II helixtrans-84.5152-174.200000114.1
9S37.1Very low38.2Very low119 Ų119143.9 Ų143.983%0.83283%0.832SS**PPolyproline II helixtrans-81.3149.2166.9-57.60000111.3
10P43.2Very low37.9Very low126 Ų126149.8 Ų149.882%0.81884%0.84SS**PPolyproline II helixtrans-74.2151.817431.5-35.1000112.5
11E39.7Very low37.5Very low185 Ų185145.9 Ų145.986%0.86483%0.833SS**PPolyproline II helixtrans-81.6137.9179.2-172.8-177169.900112.1
12P41.7Very low37.4Very low119 Ų119138.3 Ų138.377%0.77382%0.817SS**PPolyproline II helixtrans-81.3123.8176.731.4-33.1000112.4
13A42.5Very low37.2Very low94 Ų94139.9 Ų139.978%0.77782%0.821SS**PPolyproline II helixtrans-72.8149.9-177.200000114.3
14P47.3Very low36.8Very low112 Ų112136.5 Ų136.573%0.72781%0.813SS**PPolyproline II helixtrans-75.9153.3-179.730.9-36.1000113.7
15P44.5Very low36.5Very low130 Ų130141.3 Ų141.384%0.84483%0.826SS**PPolyproline II helixtrans-71.5141-176.928.7-35.1000113.5
16Q36.3Very low36Very low177 Ų177132.4 Ų132.483%0.82781%0.813SS**PPolyproline II helixtrans-71.5137-174.9-75.3-73.2-2.600114.1
17L32.2Very low36Very low148 Ų148137.7 Ų137.778%0.77582%0.819SS**PPolyproline II helixtrans-83.7117.6171-93158.7000110.9K19L17-K19 PolarHBondContact O-N 3.04Å; L17-K19 VanDerWaalsContact O-N 3.08Å
18Y33Very low36.3Very low216 Ų216136.6 Ų136.685%0.84782%0.815SS**  trans-68.1102.8175.228.5-92.3000111.5
19K30Very low36.2Very low205 Ų205136.1 Ų136.189%0.89181%0.81SS**PPolyproline II helixtrans-67.7128.5168.6-68.7178.2179175.10109.9L17L17-K19 PolarHBondContact O-N 3.04Å; L17-K19 VanDerWaalsContact O-N 3.08Å
20W31.5Very low35.8Very low262 Ų262137 Ų13799%0.99282%0.815SS**PPolyproline II helixtrans-96119.8160.7-141.91000108.3
21G29.5Very low35.1Very low67 Ų67135.4 Ų135.469%0.69181%0.812SS**PPolyproline II helixtrans-71.4139.3-178.700000112.1
22G31.3Very low34.9Very low82 Ų82133.3 Ų133.385%0.84581%0.806SS**PPolyproline II helixtrans-87.4130.4169.200000110.9
23C30.8Very low34.3Very low131 Ų131135.6 Ų135.689%0.88581%0.806SS**PPolyproline II helixtrans-103.3121.2169.4-59.20000109
24G30.9Very low34.1Very low65 Ų65141 Ų14167%0.6781%0.807SS**  trans-90.8-171.4164.500000111.5
25L34.4Very low33.4Very low187 Ų187147.1 Ų147.198%0.97982%0.815SS**  trans69.3143.5-165.7-45.2170.4000111.8
26G29.5Very low33Very low66 Ų66145 Ų14568%0.6882%0.818SS**  cis168.2143.7-4.600000109.1
27E35.2Very low32.9Very low182 Ų182141.6 Ų141.685%0.8582%0.819SS**  trans-60.1143.7174.2-71.3-74.1132.100110.4
28P46.9Very low32.8Very low124 Ų124139.1 Ų139.181%0.80582%0.82SS**  -133.3138.292.736.8-27.7000113.7
29G31.9Very low32.8Very low62 Ų62133.6 Ų133.664%0.63982%0.819SS**  trans-78148.8172.600000113.3
30C28.7Very low33Very low138 Ų138135.7 Ų135.793%0.93282%0.822SS**  trans-151.1169.6156.8-146.40000111.1
31A30.3Very low33Very low91 Ų91126.1 Ų126.175%0.75281%0.805SS**  trans-78.5140-155.200000116.7
32L33.9Very low33.2Very low142 Ų142135 Ų13574%0.74382%0.817SS**  36112.3128.3-166.284.7000119.6
33E29.1Very low33.2Very low166 Ų166137.1 Ų137.178%0.77682%0.818SS**  trans-151.8150.8143.4-120.1-8070.800109.7
34R38.6Very low33.4Very low208 Ų208134 Ų13479%0.78581%0.808SS**  trans-112.5117.7-168.2-57.8-176.7-166.5-163.74.5112.8
35R33.1Very low33.4Very low240 Ų240143 Ų14391%0.90682%0.822SS**  trans-133.6116.3156.9-66-167.8-179.8-156.1-1.7111.5
36G36Very low33.2Very low87 Ų87140.7 Ų140.790%0.89782%0.815SS**PPolyproline II helixtrans-84.2124.4-173.200000113.5
37A33.6Very low33.3Very low104 Ų104148.8 Ų148.886%0.8683%0.825SS**PPolyproline II helixtrans-91118.5171.200000111A39A37-A39 PolarHBondContact O-N 3.42Å
38A30.8Very low33.1Very low96 Ų96144.6 Ų144.679%0.79382%0.821SS**PPolyproline II helixtrans-71117.1-17300000113.2R40A38-R40 PolarHBondContact O-N 3.3Å
39A33.2Very low32.5Very low101 Ų101144.4 Ų144.484%0.83582%0.82SS**  trans-66.3113.8172.800000111A37 G41A37-A39 PolarHBondContact O-N 3.42Å; A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 3.02Å
40R34.5Very low32.4Very low248 Ų248152.9 Ų152.994%0.93683%0.833SS**  trans-72.274.5-179.3-70-172.7175.7-167.9-0.4112.8A38A38-R40 PolarHBondContact O-N 3.3Å
41G31.6Very low32.5Very low62 Ų62153.5 Ų153.564%0.63983%0.826SS**  trans-63.2132.1168.800000111.8A39 C43A39-G41 VanDerWaalsContact C-N 3.28Å; A39-G41 PolarHBondContact O-N 3.02Å; G41-C43 PolarHBondContact O-N 3.08Å; G41-C43 VanDerWaalsContact O-N 3.16Å
42R33.3Very low32.7Very low253 Ų253154.6 Ų154.696%0.95583%0.825SS**  trans-82.190.6176.5-63.1-175-167-133.11.3110.4G44R42-G44 PolarHBondContact O-N 3.29Å; R42-G44 VanDerWaalsContact O-N 3.14Å
43C30.3Very low32.7Very low127 Ų127154.6 Ų154.686%0.85883%0.826SS**  trans-64.3111.2171-64.50000110.6G41G41-C43 PolarHBondContact O-N 3.08Å; G41-C43 VanDerWaalsContact O-N 3.16Å
44G35.5Very low32.6Very low66 Ų66152.1 Ų152.168%0.6883%0.828SS**  trans-70129167.900000110.1R42 V46R42-G44 PolarHBondContact O-N 3.29Å; R42-G44 VanDerWaalsContact O-N 3.14Å; G44-V46 PolarHBondContact O-N 3.02Å
45R31.1Very low32.2Very low254 Ų254152 Ų15296%0.95883%0.833SS**  trans-65.5104.1176.4-76.4-178172.1178.4-3.6110.7
46V30.9Very low32.1Very low138 Ų138150.1 Ų150.184%0.83683%0.834SS**PPolyproline II helixtrans-77.3132.7159.7-179.70000107.9G44G44-V46 PolarHBondContact O-N 3.02Å
47R31.6Very low31.8Very low235 Ų235157.7 Ų157.789%0.88784%0.836SS**PPolyproline II helixtrans-75.6133.9170.5-79.1-178.1170.9177.3-3.3109
48A30.3Very low31.5Very low94 Ų94156.1 Ų156.178%0.77783%0.829SS**PPolyproline II helixtrans-63.4133.4167.400000110.2
49P33.4Very low31.5Very low120 Ų120160.5 Ų160.578%0.77983%0.834SS**PPolyproline II helixtrans-70.4149.7165.731.3-33.2000109.8
50R29.9Very low31.2Very low240 Ų240161.5 Ų161.591%0.90683%0.833SS**PPolyproline II helixtrans-78.2146.4169.5-67.9-177.6175.5-175.4-2.6109.6
51L31Very low31.3Very low152 Ų152155.7 Ų155.780%0.79683%0.827SS**PPolyproline II helixtrans-62.6141.4163-87.468000109.7
52P35.9Very low31.3Very low113 Ų113162.2 Ų162.273%0.73484%0.838SS**PPolyproline II helixtrans-96.8116.1153.232.9-23.5000109.6
53D32.4Very low32.3Very low142 Ų142156.4 Ų156.476%0.75983%0.833SS**PPolyproline II helixtrans-68.2134.1164.4-67.5-62.3000109.8
54S28.8Very low32.1Very low115 Ų115153.8 Ų153.880%0.80483%0.828SS**  trans-158.3118.5168.8-76.30000109.9
55F29.5Very low31.9Very low205 Ų205155.9 Ų155.990%0.89984%0.839SS**  trans-72.2154.9-179.6-80.7-108.6000112
56H30.5Very low31.7Very low201 Ų201155.3 Ų155.393%0.93184%0.837SS**  trans-57.5146.1169.1-85.1-90.2000112
57R30.3Very low31.7Very low245 Ų245153.2 Ų153.293%0.92583%0.834SS**  trans-135.7119.8160.8-151.2177.8-162.1-150.52.4109.8
58G27.4Very low32.5Very low71 Ų71147.2 Ų147.273%0.73283%0.825SS**  trans-80.6177.7170.900000112.5
59E30.1Very low32.6Very low188 Ų188154.1 Ų154.188%0.87983%0.832SS**  trans-100.7-174.4-166.9-59.8-174.291.800114.8
60C27.2Very low32.5Very low122 Ų122153.5 Ų153.582%0.82483%0.83SS**  trans78.5156169.5-59.30000117.7
61P36.5Very low32.7Very low126 Ų126146.2 Ų146.282%0.81882%0.821SS**  cis-128.6-159.2-47.437.9-23.3000112.3
62K32.2Very low32.8Very low200 Ų200150.5 Ų150.587%0.8783%0.826SS**  trans-90.6-170.5-176-47.3-177.3179.4175.70113
63P52.8Low32.5Very low130 Ų130151.2 Ų151.284%0.84483%0.833SS**  -127.1170-107.437.4-17.4000115.8
64G27.8Very low32.4Very low73 Ų73147.9 Ų147.975%0.75383%0.832SS**  trans179.4164.1168.400000117.2
65A30.5Very low32.5Very low110 Ų110151.3 Ų151.391%0.90984%0.835SS**  trans66116.1162.700000121.3
66R27.9Very low33.6Very low241 Ų241145.9 Ų145.991%0.90982%0.821SS**  trans-47.2133.5173.1-61.3165.8170.2-169.7-4118
67A29.3Very low33.7Very low95 Ų95143.6 Ų143.679%0.78582%0.815SS**  53.5177.9115.800000121
68P48.2Very low34.6Very low108 Ų108137.4 Ų137.470%0.70181%0.806SS**  cis-136.5166.1-13.738.8-21.5000117
69R32.8Very low35.8Very low240 Ų240139.7 Ų139.791%0.90681%0.808SS**  trans68.4159.2146.3-78168-175.2-170.6-0.2118.9
70S32.6Very low35.9Very low106 Ų106135.8 Ų135.874%0.74181%0.808SS**  cis-162.4168.7-1.941.90000113.9
71A32.4Very low36.3Very low87 Ų87135.3 Ų135.372%0.71981%0.806SS**  trans73.4123.7158.300000117.4
72R34.5Very low37.2Very low242 Ų242134.8 Ų134.891%0.91380%0.803SS**  70.7142.766.4-73-171.2178.4-151.41.1113.8
73C29.5Very low37.9Very low128 Ų128130.8 Ų130.887%0.86580%0.797SS**  cis151.5132.2-22.6-92.20000108.3
74G30.6Very low37.8Very low73 Ų73130.1 Ų130.175%0.75379%0.793SS**  trans105.4132.9179.600000112.8
75E30.3Very low38Very low186 Ų186131.2 Ų131.287%0.86980%0.795SS**  cis79.5148.635.3-75.6-14695.600116.2
76P51.5Low38Very low91 Ų91137.6 Ų137.659%0.59180%0.796SS**  cis-146-164.7-32.639.3-19000115.3
77L32.4Very low38.5Very low154 Ų154131.8 Ų131.881%0.80679%0.789SS**  trans83.6172.4157.4-65.4169.4000118.9
78P49.6Very low38.8Very low114 Ų114136 Ų13674%0.7479%0.792SS**  -127.3-126.3-91.931.5-5.5000117.4
79P54Low38.1Very low119 Ų119136 Ų13677%0.77380%0.801SS**  -126.8162.2-103.640.1-23.3000118.2
80A31.6Very low38.3Very low107 Ų107133.3 Ų133.388%0.88480%0.799SS**  trans-167.5168155.700000112.9
81S34.7Very low38.4Very low111 Ų111140.1 Ų140.178%0.77681%0.809SS**  trans-155.5176.6-177.967.80000112.2
82P55.9Low38.5Very low115 Ų115143.8 Ų143.875%0.74781%0.811SS**  cis-113.3-100.5-8.330.4-7.6000112.2
83P47.6Very low38.5Very low116 Ų116142.6 Ų142.675%0.75381%0.806SS**  cis-113.6-115.8-10.730.2-4.1000114.5
84P49.3Very low38.9Very low117 Ų117142.9 Ų142.976%0.7681%0.806SS**  trans-127.9132-138.136.3-13.8000120.6
85A32.2Very low39.1Very low96 Ų96150.6 Ų150.679%0.79381%0.813SS**  trans55.4120.4130.100000124.1
86R31.4Very low39.4Very low244 Ų244145.9 Ų145.992%0.92181%0.806SS**  -159165.7114.7-105.7-176178.2-164-1.4110.8
87P38.9Very low39Very low119 Ų119147.7 Ų147.777%0.77382%0.818SS**  trans-94.1162.8-145.336.1-39.6000117
88Q34.8Very low39.2Very low183 Ų183149.1 Ų149.186%0.85582%0.82SS**  trans-125.3130.5162.9-68.2-175.7-6.600110.3
89A33.3Very low38.5Very low108 Ų108149.5 Ų149.589%0.89383%0.825SS**  trans-93.4130.4167.300000109.6
90Q37.4Very low37.7Very low183 Ų183154.4 Ų154.486%0.85583%0.828SS**  trans-87.3152.1-171.5-67.3-173.3-6.800113.5
91R35.3Very low37.9Very low249 Ų249161.3 Ų161.394%0.9483%0.831SS**  trans-109.985.9-172.7-164.4-178.2-168.5-154.85.6110.5
92E34.5Very low37.9Very low165 Ų165166.8 Ų166.877%0.77184%0.835SS**PPolyproline II helixtrans-66.3155.8-177-96.4-738600114.2
93R34.1Very low36.8Very low217 Ų217165.9 Ų165.982%0.81984%0.837SS**PPolyproline II helixtrans-94.3143.3-174.4-66.3179.5175.6-175-1.1113
94P37.7Very low36Very low133 Ų133168.7 Ų168.786%0.86484%0.842SS**PPolyproline II helixtrans-70.8138.5178.329.1-34.8000112.8
95R35.3Very low35.4Very low235 Ų235171.1 Ų171.189%0.88785%0.848SS**PPolyproline II helixtrans-98.9147.7171.3-66.1-177.3-179.4-178.21111.1
96A34.9Very low35.3Very low88 Ų88175 Ų17573%0.72785%0.849SS**PPolyproline II helixtrans-74.9153.2177.800000112.5
97P44Very low35.3Very low128 Ų128171.4 Ų171.483%0.83185%0.847SS**PPolyproline II helixtrans-83.5141.3-165.531.7-36.1000114.9
98H37.6Very low34.8Very low185 Ų185169.9 Ų169.986%0.85684%0.84SS**PPolyproline II helixtrans-79.8137163.6-78.8-103.8000111R100H98-R100 PolarHBondContact O-N 3.45Å
99S33.7Very low34.6Very low121 Ų121169 Ų16985%0.84684%0.835SS**PPolyproline II helixtrans-69.9120.4174.255.20000111.2R101S99-R101 PolarHBondContact O-N 3.01Å
100R38.3Very low34.3Very low222 Ų222172.5 Ų172.584%0.83883%0.831SS**PPolyproline II helixtrans-59.8129.9-176.3-65172.7174.3164.8-4.2112.4H98H98-R100 PolarHBondContact O-N 3.45Å
101R35.2Very low33.8Very low252 Ų252168.6 Ų168.695%0.95182%0.824SS**PPolyproline II helixtrans-78.5144.9140.9-66.3-173.9-178.7-160.21.7107.1S99S99-R101 PolarHBondContact O-N 3.01Å
102R35.3Very low33.4Very low227 Ų227165.4 Ų165.486%0.85782%0.82SS**  trans-132.3114.9172.2-145.4177-169.2-176.3-0.1107.5
103A32Very low34.2Very low96 Ų96162.5 Ų162.579%0.79382%0.815SS**  trans-77.5162.5167.900000109.4
104M31.2Very low33.8Very low175 Ų175159.5 Ų159.586%0.86282%0.815SS**  trans-78.5150.6174.3-60.6-168.5-67.200110.6
105L35.3Very low33.3Very low168 Ų168156.6 Ų156.688%0.8880%0.803SS**  trans-120.6133.4156.3-71.9174.4000106.3
106H31.9Very low32.9Very low177 Ų177153 Ų15382%0.81980%0.8SS**  trans-103.1132.1169.1-127.8-96000107.5
107L29.7Very low32.7Very low168 Ų168156 Ų15688%0.8880%0.803SS**  trans-148130.5160.1-95.8125.7000106.6
108S29.8Very low31.9Very low87 Ų87155.3 Ų155.361%0.60880%0.796SS**  trans-105.2152176.244.70000109.7
109E30.3Very low31.5Very low164 Ų164155.1 Ų155.177%0.76679%0.793SS**  trans65.3125169-61.3156.2-162.400114.4
110F26Very low31.2Very low182 Ų182154 Ų15480%0.79879%0.785SS**  -163.4150.173.3-118-99.7000113.2
111S27.4Very low31Very low101 Ų101149 Ų14971%0.70678%0.779SS**  trans42.2124.5150.160.90000122.7
112E26.8Very low31Very low183 Ų183145.3 Ų145.386%0.85577%0.773SS**  trans-64.3-179.6147.2-60.8-165.8118.900112.2
113P52.1Low30.7Very low104 Ų104137.8 Ų137.868%0.67577%0.766SS**  cis-133.3-173.9-0.728.5-4.4000115.8
114D25.8Very low30.5Very low154 Ų154138.4 Ų138.482%0.82476%0.763SS**  100.6156.6129.9-113.1-39.7000123.3
115A26.9Very low30.3Very low72 Ų72136.1 Ų136.160%0.59576%0.763SS**  trans76.691.3155.500000122.8
116L27.1Very low29.9Very low158 Ų158132.4 Ų132.483%0.82776%0.757SS**  83.1158.5121.7-66.4174.1000123.1
117L29.8Very low29.6Very low152 Ų152131.6 Ų131.680%0.79675%0.753SS**  trans65.8105.3170.5-96.659.4000117.8
118V27.6Very low30.4Very low113 Ų113128.8 Ų128.869%0.68575%0.745SS**  cis100.7133.931.2173.80000113.5
119K28.8Very low30.5Very low182 Ų182129.7 Ų129.779%0.79175%0.751SS**  trans74.5115.3170.6-78.8165.6-176178.80115.6
120S28Very low30.6Very low97 Ų97126.1 Ų126.168%0.67875%0.75SS**  78.6147.666.376.60000112.6
121T33.7Very low30.7Very low117 Ų117125 Ų12572%0.71875%0.747SS**  cis-153.1163.839.137.20000111.9
122E34.9Very low30.9Very low175 Ų175126.9 Ų126.982%0.81875%0.748SS**  cis-121.8-115.4-23.7-69.5-149144.300108.8
123G29.7Very low31.9Very low68 Ų68122.2 Ų122.270%0.70173%0.734SS**  cis141156.1-9.400000113.8
124C27.5Very low30.7Very low110 Ų110127.5 Ų127.574%0.74374%0.741SS**  cis-157.8176.8-18.8-136.80000111.8
125C28.1Very low30.8Very low126 Ų126127.7 Ų127.785%0.85174%0.74SS**  trans76.1140.7178.8-54.10000118.2
126A26.3Very low31.9Very low91 Ų91129.7 Ų129.775%0.75275%0.747SS**  cis-174.7123.8-35.700000109.4
127E25.6Very low32Very low159 Ų159126.4 Ų126.474%0.74374%0.743SS**  10153125.7-73.1-50.6118.700120.2S129E127-S129 PolarHBondContact OE2-N 3.22Å; E127-S129 VanDerWaalsContact OE2-N 3.09Å
128P46.7Very low32.1Very low110 Ų110129.2 Ų129.271%0.71474%0.743SS**  cis-146.8147.943.439.6-19.1000121.2
129S31.6Very low32.1Very low106 Ų106129.5 Ų129.574%0.74174%0.741SS**  trans65.8145.7137-60.90000119.4E127E127-S129 PolarHBondContact OE2-N 3.22Å; E127-S129 VanDerWaalsContact OE2-N 3.09Å
130A32.3Very low32.2Very low88 Ų88125.2 Ų125.273%0.72774%0.739SS**  cis-148.4-167.16.700000109.8
131E29Very low33.1Very low159 Ų159126.5 Ų126.574%0.74375%0.745SS**  cis-152.2179.95.2-137.7-4868.200110.2
132L30.5Very low32.9Very low140 Ų140125.3 Ų125.373%0.73375%0.747SS**  trans-101.6-166.9176.6-82.2167.1000111.3
133P48.7Very low32.6Very low86 Ų86121.3 Ų121.356%0.55874%0.744SS**  cis-134.9161-0.616.510.1000119.1
134R26.5Very low32.6Very low215 Ų215125.6 Ų125.681%0.81176%0.757SS**  trans67.8128.2144.2-66.7163.4-176.1144.41.3118.6
135L28.5Very low32.7Very low157 Ų157124.1 Ų124.182%0.82276%0.76SS**  69.8146.752.4-64.1176000114.4
136P49.8Very low32.7Very low114 Ų114128.7 Ų128.774%0.7476%0.761SS**  cis-141.6-172.6-28.140.2-21.2000115.1
137A28.4Very low33.8Very low89 Ų89130.9 Ų130.974%0.73677%0.767SS**  trans-13.7159.5161.800000122.3
138R31.5Very low34Very low212 Ų212126 Ų12680%0.876%0.76SS**  -174.7150.2107.2-95.9-179.982.2145.77.4115.6
139D27.5Very low33.3Very low119 Ų119126.4 Ų126.464%0.63677%0.773SS**  trans50.1130.2144.3-51.3-1.9000123.6
140A32.3Very low33.2Very low91 Ų91125 Ų12575%0.75277%0.774SS**  trans-90.7170.7148.400000110
141P46.6Very low33.3Very low124 Ų124127.9 Ų127.981%0.80578%0.778SS**  -154.3179.8100.140.5-22.6000116.6
142A29.4Very low33.3Very low92 Ų92128.5 Ų128.576%0.7678%0.778SS**  trans25120.715300000120.3
143A28Very low33.3Very low91 Ų91129.2 Ų129.275%0.75278%0.782SS**  cis79.8119.449.200000116.2
144T30.3Very low32.3Very low159 Ų159131.1 Ų131.198%0.97580%0.797SS**  trans-179.2155144.817.40000110.1
145G29.3Very low32.4Very low78 Ų78132.6 Ų132.680%0.80480%0.803SS**  trans115.480.2165.600000117.9
146Y29.3Very low32.3Very low222 Ų222128.7 Ų128.787%0.87179%0.793SS**  trans-101.4145151.1-101.9-88.8000107.4
147P47.4Very low31.4Very low137 Ų137131.1 Ų131.189%0.8980%0.8SS**  -138.4176.472.138.3-22.5000113.8
148G30Very low31.4Very low58 Ų58134 Ų13460%0.59880%0.802SS**  cis163.7156.9-6.500000112.2
149A32.6Very low31.2Very low118 Ų118129.3 Ų129.398%0.97580%0.802SS**  trans63.4146.4179.600000117.7
150G30.1Very low31Very low75 Ų75128.9 Ų128.977%0.77381%0.807SS**  trans136.587.9175.100000115
151D34.4Very low30.7Very low149 Ų149130 Ų13080%0.79781%0.81SS**  trans-55.6146.3-166.6-61.6-66.2000120.8
152F28.3Very low29.9Very low173 Ų173129 Ų12976%0.75981%0.812SS**  trans57.4104.9138.1-82.6-109.9000122.8
153L31.7Very low29.9Very low154 Ų154130.3 Ų130.381%0.80682%0.816SS**  trans68.889.6134.3-57.3-178.2000121.2
154S27.6Very low30Very low126 Ų126129.2 Ų129.288%0.88181%0.813SS**  trans-164.781.4136.961.10000115.6
155W27.8Very low29.8Very low246 Ų246129 Ų12993%0.93281%0.805SS**  trans-171.2153157.8115.2-64.9000109.6
156A26.8Very low30Very low75 Ų75133 Ų13362%0.6281%0.808SS**  cis-159.4172.7-22.300000109.6
157L30.2Very low30.1Very low166 Ų166125.8 Ų125.887%0.86979%0.794SS**  trans-76.1118.2176.8-78.3157.4000112.9
158N27.6Very low29.2Very low148 Ų148126.3 Ų126.379%0.79179%0.789SS**  trans175.3145138.4-92.9-35000109.1
159S27.3Very low29.5Very low115 Ų115128.9 Ų128.980%0.80480%0.798SS**  cis-143.8167.236.1-60.50000115.5
160C25Very low29.2Very low109 Ų109129.6 Ų129.674%0.73680%0.795SS**  trans-45.4133177-560000117.9
161S25Very low29.2Very low115 Ų115135.8 Ų135.880%0.80480%0.801SS**  trans45.5110.5132.467.50000121
162A30.1Very low29.1Very low102 Ų102135.8 Ų135.884%0.84380%0.8SS**  trans-144.2149.1138.200000111.1
163S29.2Very low29.2Very low121 Ų121136.3 Ų136.385%0.84681%0.805SS**  trans-56.5141.6-173.349.10000118.5
164G29.2Very low29Very low67 Ų67132.1 Ų132.169%0.69180%0.799SS**  111.6123.2117.900000119.7
165D27.4Very low29.5Very low154 Ų154132.2 Ų132.282%0.82480%0.797SS**  7.8137.8129.5-53.3-37.2000118.5
166L32.8Very low29.7Very low162 Ų162124.7 Ų124.785%0.84879%0.787SS**  cis-160.2-176.4-3.3-149.784.7000109.7
167A31.1Very low30.2Very low72 Ų72127.3 Ų127.360%0.59580%0.798SS**  trans-75.5168.9-169.800000117.7
168D30.2Very low30.7Very low147 Ų147125.8 Ų125.879%0.78680%0.795SS**  trans80106.1146.7-60.3-31.8000122.7
169S35.4Very low31.5Very low112 Ų112124.3 Ų124.378%0.78379%0.794SS**  83.5133.2122.676.80000121.1
170C26.8Very low32.3Very low134 Ų134124.9 Ų124.991%0.90579%0.794SS**  -145.6142.1124.8-105.90000109
171F29.7Very low33.2Very low205 Ų205125.8 Ų125.890%0.89980%0.799SS**  trans-95.9-170.1173.4-131.3-101.5000109.8
172L32.5Very low33.4Very low149 Ų149123.8 Ų123.878%0.7880%0.797SS**  trans97.3134.2172.6-56.2167.5000115.2
173E29.7Very low33.5Very low184 Ų184127.5 Ų127.586%0.8680%0.802SS**  cis-159.6151-22.3-148.4176.4166.100109.4
174G27.8Very low33.6Very low66 Ų66127.2 Ų127.268%0.6880%0.8SS**  trans-170.6140.7179.200000111.6
175P39.1Very low33.7Very low128 Ų128134.4 Ų134.483%0.83181%0.807SS**  trans-94.6146.2-150.134.7-37.2000117.2
176A31.8Very low34.1Very low88 Ų88132 Ų13273%0.72780%0.803SS**  trans24137.4146.400000120.8
177P35.5Very low34Very low130 Ų130127 Ų12784%0.84479%0.791SS**  -130.7169.986.638.7-31.6000115.6
178T41.9Very low34.4Very low134 Ų134129.1 Ų129.182%0.82280%0.801SS**  trans-87.3152.7-174.550.60000114.8
179P44.4Very low34.4Very low117 Ų117131 Ų13176%0.7680%0.802SS**  trans-108.5152.9145.735.2-29.1000113.1
180P43.3Very low34.2Very low126 Ų126134 Ų13482%0.81880%0.802SS**  trans-80.6174.3-179.234.5-36.7000113.8
181P44.3Very low34.7Very low128 Ų128135.4 Ų135.483%0.83180%0.798SS**  trans-107.6158.6-146.639.3-36.1000116.9
182G29.2Very low34.9Very low74 Ų74134 Ų13476%0.76380%0.795SS**  trans95125.4140.900000117.5
183L31.8Very low34.8Very low179 Ų179131.1 Ų131.194%0.93779%0.792SS**  -154.4128.4120.8-102.7178.1000108.8
184S31.8Very low35.3Very low115 Ų115128.3 Ų128.380%0.80479%0.787SS**  trans-89.1129.9175530000110.3
185Y32.3Very low35.6Very low218 Ų218130.7 Ų130.786%0.85579%0.791SS**  trans-131117.7163.2-164.2-100.5000111.4
186S35.7Very low35.7Very low104 Ų104132.3 Ų132.373%0.72779%0.787SS**  trans-87124.1173.951.50000110.1
187G29.2Very low36Very low58 Ų58135.8 Ų135.860%0.59879%0.788SS**  trans-140.472.6-177.800000113
188S40.2Very low36.3Very low115 Ų115135.4 Ų135.480%0.80479%0.786SS**  trans-83.9109.2176.8-57.60000111
189F30.8Very low36.6Very low187 Ų187137.8 Ų137.882%0.8279%0.787SS**  trans-132.6109.3170.9-88.2-81.4000113.8
190F30.7Very low36.8Very low176 Ų176137 Ų13777%0.77278%0.777SS**  trans29.9128.1149.8-74.9-91000122.2
191I37Very low37.4Very low162 Ų162136.1 Ų136.183%0.83177%0.771SS**  trans-86.3112.6156.6-60.6171.9000109.1
192Q33.9Very low37.9Very low177 Ų177136.7 Ų136.783%0.82776%0.762SS**  trans-147.7140.3155.1-76.5-170.6-9.900107.3
193A31.1Very low39.1Very low87 Ų87136.2 Ų136.272%0.71975%0.751SS**  cis-142.8165.6-10.300000109.1P195A193-P195 WeakPolarHBondContact O-CD 3.5Å
194V38.4Very low40.5Very low125 Ų125133.3 Ų133.376%0.75874%0.736SS**PPolyproline II helixtrans-94.5121.6176.5176.70000109.8
195P36Very low42Very low116 Ų116134.4 Ų134.475%0.75373%0.726SS**PPolyproline II helixtrans-76.3129163.5-11.729000110.2A193A193-P195 WeakPolarHBondContact O-CD 3.5Å
196E41.2Very low43.2Very low162 Ų162128.3 Ų128.376%0.75771%0.708SS**SBendtrans-64.9156.4167.5-71.4-84.810400110.9
197H38.1Very low44.8Very low162 Ų162129 Ų12975%0.7570%0.704SS**  trans69.395177.1-63.1-77.7000118.9H199H197-H199 PolarHBondContact O-N 3.42Å
198P40.1Very low46.3Very low122 Ų122130.6 Ų130.679%0.79270%0.697SS**  trans-90.493.4168.934.5-31.5000112.3
199H48.5Very low47.4Very low184 Ų184126.1 Ų126.185%0.85267%0.665SS**  trans-132.433173.7-93.9-45.5000115.2H197H197-H199 PolarHBondContact O-N 3.42Å
200D48.3Very low48.6Very low101 Ų101120 Ų12054%0.5466%0.655SS.*  trans-135.1122.8170.5-156.4-45.3000111.4E202D200-E202 PolarHBondContact OD1-N 3.02Å; D200-E202 VanDerWaalsContact OD1-N 3.08Å
201P56.5Low50Low107 Ų107117.2 Ų117.270%0.69565%0.647SS**Hα-helixtrans-73.2-23.8179.630-35.4000114F205P201-F205 PolarHBondContact O-N 3.04Å
202E54.8Low51Low140 Ų140115.4 Ų115.465%0.65464%0.638SS**Hα-helixtrans-76.8-37.7-172.3-61.1-170.2167.400111.7D200 L204 F205 N206D200-E202 PolarHBondContact OD1-N 3.02Å; D200-E202 VanDerWaalsContact OD1-N 3.08Å; E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.27Å; E202-F205 PolarHBondContact O-N 3.39Å; E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.78Å
203A54.8Low51.5Low64 Ų64110.3 Ų110.353%0.52963%0.633SS.*Hα-helixtrans-57-38.4173.900000112.7L207A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 PolarHBondContact O-N 3.14Å
204L61.5Low52.5Low118 Ų118111.8 Ų111.862%0.61863%0.628SS**Hα-helixtrans-72.2-35.6179.8-162.2154.2000111.7E202 M208E202-L204 VanDerWaalsContact C-N 3.26Å; E202-L204 PolarHBondContact O-N 3.27Å; L204-M208 HydrophobicContact CD2-CG 4.4Å; L204-M208 PolarHBondContact O-N 3.03Å; L204-M208 VanDerWaalsContact O-N 3.14Å
205F62.5Low52.6Low138 Ų138110 Ų11061%0.60563%0.627SS**Hα-helixtrans-66.9-43174.4-170.7-95.2000111.9P201 E202 M208 S209P201-F205 PolarHBondContact O-N 3.04Å; E202-F205 PolarHBondContact O-N 3.39Å; F205-M208 PolarHBondContact O-N 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.39Å; F205-S209 PolarHBondContact O-N 3.21Å; F205-S209 PolarHBondContact O-OG 3.17Å
206N57Low52.9Low89 Ų89109.5 Ų109.548%0.47662%0.624SS.*Hα-helixtrans-65.9-41.9177.4-71.5-28.1000112.2E202 M208 S209 G210E202-N206 PolarHBondContact O-N 3.11Å; E202-N206 PolarHBondContact O-ND2 2.78Å; N206-M208 VanDerWaalsContact C-N 3.33Å; N206-M208 PolarHBondContact O-N 3.14Å; N206-S209 PolarHBondContact O-N 2.94Å; N206-G210 PolarHBondContact O-N 3.34Å
207L69.3Low52.5Low120 Ų120111 Ų11163%0.62863%0.628SS**Hα-helixtrans-56.7-46.3173.2-173.277.6000111.7A203 S209 I211A203-L207 WeakPolarHBondContact O-CB 3.43Å; A203-L207 PolarHBondContact O-N 3.14Å; L207-S209 VanDerWaalsContact C-N 3.35Å; L207-I211 HydrophobicContact CG-CD1 4.41Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.34Å
208M61Low52.7Low91 Ų91109 Ų10945%0.44863%0.629SS.*Hα-helixtrans-71.4-27.7179.5-77.1-96.254.500113.5L204 F205 N206 I211 L212L204-M208 HydrophobicContact CD2-CG 4.4Å; L204-M208 PolarHBondContact O-N 3.03Å; L204-M208 VanDerWaalsContact O-N 3.14Å; F205-M208 PolarHBondContact O-N 3.39Å; N206-M208 VanDerWaalsContact C-N 3.33Å; N206-M208 PolarHBondContact O-N 3.14Å; M208-I211 HydrophobicContact CE-CB 4.28Å; M208-I211 HydrophobicContact CE-CD1 4.13Å; M208-I211 HydrophobicContact CE-CG2 4.23Å; M208-L212 WeakPolarHBondContact O-CG 3.44Å
209S63.7Low52.8Low20 Ų20106 Ų10614%0.1462%0.62CS.*Hα-helixtrans-74.4-40.7177.3-57.40000111.7F205 N206 L207 I211 L212 G213 L214F205-S209 WeakPolarHBondContact O-CB 3.39Å; F205-S209 PolarHBondContact O-N 3.21Å; F205-S209 PolarHBondContact O-OG 3.17Å; N206-S209 PolarHBondContact O-N 2.94Å; L207-S209 VanDerWaalsContact C-N 3.35Å; S209-I211 VanDerWaalsContact C-N 3.32Å; S209-I211 PolarHBondContact O-N 3.09Å; S209-L212 CarbonylContact O-C 3.19Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.09Å; S209-G213 PolarHBondContact O-N 2.67Å; S209-L214 PolarHBondContact O-N 3.32Å
210G56.5Low52.5Low59 Ų59103.7 Ų103.761%0.60862%0.622SS**Hα-helixtrans-62.2-36.2174.500000113.5N206 L212 G213N206-G210 PolarHBondContact O-N 3.34Å; G210-L212 PolarHBondContact O-N 3.35Å; G210-G213 PolarHBondContact O-N 2.73Å
211I60.6Low51.6Low118 Ų118108 Ų10861%0.60564%0.639SS**Hα-helixtrans-66.9-21.9175.3-69.5165.8000112.4L207 M208 S209L207-I211 HydrophobicContact CG-CD1 4.41Å; L207-I211 WeakPolarHBondContact O-CD1 3.38Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.34Å; M208-I211 HydrophobicContact CE-CB 4.28Å; M208-I211 HydrophobicContact CE-CD1 4.13Å; M208-I211 HydrophobicContact CE-CG2 4.23Å; S209-I211 VanDerWaalsContact C-N 3.32Å; S209-I211 PolarHBondContact O-N 3.09Å
212L56.3Low50.4Low124 Ų124107.6 Ų107.665%0.64964%0.644SS**THydrogen-bonded Turntrans-104.74.7-178.9-64.9175.3000113.8M208 S209 G210 L214M208-L212 WeakPolarHBondContact O-CG 3.44Å; S209-L212 CarbonylContact O-C 3.19Å; S209-L212 PolarHBondContact O-N 3.43Å; S209-L212 VanDerWaalsContact O-N 3.09Å; G210-L212 PolarHBondContact O-N 3.35Å; L212-L214 PolarHBondContact O-N 2.81Å
213G44.8Very low49.2Very low70 Ų70106.3 Ų106.372%0.72266%0.657SS**THydrogen-bonded Turntrans67.319.5176.300000115.1S209 G210S209-G213 PolarHBondContact O-N 2.67Å; G210-G213 PolarHBondContact O-N 2.73Å
214L51.8Low48Very low117 Ų117107.8 Ų107.861%0.61367%0.67SS**PPolyproline II helixtrans-91.9137.1177.5-62.4179.2000110.5S209 L212S209-L214 PolarHBondContact O-N 3.32Å; L212-L214 PolarHBondContact O-N 2.81Å
215A42.3Very low46.5Very low88 Ų88107.2 Ų107.273%0.72768%0.675SS**PPolyproline II helixtrans-64.1138-179.700000111.6
216P41.9Very low45Very low106 Ų106111.9 Ų111.969%0.68869%0.689SS**PPolyproline II helixtrans-61.4145.7175.6-2334000112.8
217F32.9Very low43.6Very low193 Ų193113 Ų11385%0.84670%0.704SS**PPolyproline II helixtrans-71.4136168.3-97.9-97.9000110.4
218P42.3Very low42.5Very low120 Ų120112.7 Ų112.778%0.77971%0.709SS**PPolyproline II helixtrans-72.1128.2171.729.4-33000110.6
219G41.7Very low41.1Very low58 Ų58115.7 Ų115.760%0.59873%0.726SS**PPolyproline II helixtrans-74.3162.1168.500000112.1E221G219-E221 PolarHBondContact O-N 3.38Å
220P40.9Very low39.4Very low137 Ų137121.6 Ų121.689%0.8976%0.756SS**  trans-74.8113.1-178.929.9-33.5000111.5
221E30.6Very low38.1Very low192 Ų192122.3 Ų122.390%0.89776%0.756SS**  trans-69.2136.9172.3-69.2-154.7117.600112.1G219G219-E221 PolarHBondContact O-N 3.38Å
222A30.7Very low36.6Very low97 Ų97122.3 Ų122.380%0.80277%0.767SS**  trans-79.8119.6170.200000109.8A224A222-A224 PolarHBondContact O-N 2.91Å
223A29.8Very low35.5Very low113 Ų113125.9 Ų125.993%0.93478%0.777SS**  trans-67.1105.5-179.100000112
224A29.1Very low35.9Very low96 Ų96128 Ų12879%0.79378%0.779SS**  trans-131.7114169.600000110A222A222-A224 PolarHBondContact O-N 2.91Å
225S31.4Very low34.8Very low105 Ų105127.1 Ų127.173%0.73479%0.788SS**  trans-72.7139.5-176.3590000113.2
226R30.4Very low34.2Very low236 Ų236126.3 Ų126.389%0.89179%0.788SS**  178.8146.4113.3-96.6159.5-178.1-170.8-1.6113.6
227S27.4Very low35.2Very low112 Ų112126.8 Ų126.878%0.78379%0.791SS**  trans-118176.9163.1-450000108.2
228P47.1Very low35.2Very low114 Ų114124.7 Ų124.774%0.7479%0.789SS**  -115-139.9-71.338.4-24.6000109.5
229L31.2Very low34.7Very low154 Ų154122.8 Ų122.881%0.80678%0.784SS**  trans79.9141.3-178.9-54.3172.6000115
230D28.3Very low34.4Very low144 Ų144128.3 Ų128.377%0.7780%0.798SS**  cis-159.7172-25.3-149.2-20.2000110.2
231A28.6Very low34.1Very low74 Ų74129.7 Ų129.761%0.61280%0.797SS**  trans24.6115.2155.700000122.2
232S30Very low35Very low119 Ų119126.6 Ų126.683%0.83279%0.794SS**  68133.1121.2-55.60000124.1
233F33.1Very low35.2Very low198 Ų198125.1 Ų125.187%0.86879%0.788SS**  trans-48.5169.7149.6-70.1-84.7000113.7
234P51.7Low36.9Very low115 Ų115125.2 Ų125.275%0.74778%0.779SS**  cis-150.2-176.428.244.8-24.4000119.5
235A29.9Very low38Very low99 Ų99126.5 Ų126.582%0.81878%0.779SS**  trans72.4148147.800000121.7
236G28.4Very low38.2Very low70 Ų70128.2 Ų128.272%0.72278%0.78SS**  trans-108.3-146.3157.400000109.7
237P64.3Low38.3Very low116 Ų116124.4 Ų124.475%0.75378%0.777SS**  cis-120.2-169.21.140.7-24.8000112.5
238D31.8Very low38.5Very low150 Ų150129.3 Ų129.380%0.80278%0.78SS**  172.2140.9112.7-105.7-36.4000117.8
239A33.3Very low38Very low80 Ų80128.3 Ų128.366%0.66178%0.775SS**  trans66.4153.1135.300000126.8
240L34.7Very low39.3Very low173 Ų173126 Ų12691%0.90677%0.77SS**  trans88.7120.7155.1-52.5-171.3000122.5
241L35.4Very low39.7Very low166 Ų166125.2 Ų125.287%0.86977%0.765SS**  trans-76.1171.6154-75.4168.5000110.2
242P49.4Very low40.1Very low128 Ų128129.1 Ų129.183%0.83178%0.775SS**  cis-129.4-164.620.244.5-26.8000113.2
243G33.5Very low40.1Very low65 Ų65126.8 Ų126.867%0.6777%0.77SS**  cis-174.11731.400000111.8
244P66.4Low40Very low115 Ų115122.5 Ų122.575%0.74777%0.771SS**  trans-107.9-159.5-165.648.1-39.2000111.5
245P52.7Low39Very low124 Ų124123.7 Ų123.781%0.80578%0.776SS**  cis-132.8161.644.840.5-23.5000117.3
246D34.4Very low40Very low140 Ų140124.7 Ų124.775%0.74977%0.774SS**  trans-76.3176.6167.2-49.2-100.1000114
247L33.7Very low40.2Very low157 Ų157130.4 Ų130.482%0.82278%0.779SS**  161.5141.1124.5-83.4167.2000109
248Y30.6Very low39.7Very low214 Ų214130.6 Ų130.684%0.83978%0.781SS**  cis-151.4172.636.6-154.2-99.4000111.9
249S36.3Very low39.7Very low93 Ų93132 Ų13265%0.6578%0.782SS**  trans-135.9-164.2-172.7-135.40000110.6
250P58.8Low39.8Very low106 Ų106132.8 Ų132.869%0.68879%0.789SS**  cis-115.8-127.6-17.522.44000110.1
251D36.9Very low39.5Very low127 Ų127133 Ų13368%0.67978%0.782SS**  cis-167.1171.11.6-152.9-6.2000113.3
252L36Very low39.3Very low157 Ų157136 Ų13682%0.82278%0.782SS**  trans62.2133.7163.6-50.7-179000119.6
253G30.1Very low38.3Very low70 Ų70136.9 Ų136.972%0.72278%0.776SS**  cis169.2166-8.700000115.1
254A31.1Very low38.1Very low107 Ų107137.8 Ų137.888%0.88478%0.776SS**  trans74.1154.1165.500000121.6
255V30.8Very low36.5Very low141 Ų141137.8 Ų137.886%0.85578%0.779SS**  trans-148.9176.1-172.4-116.90000107.6
256P50.5Low36.8Very low119 Ų119136.9 Ų136.977%0.77377%0.773SS**  cis-135.8-162.9-7.236.2-13.3000115.3
257F34.1Very low36.5Very low191 Ų191136 Ų13684%0.83878%0.777SS**  trans-57.4170.1166-97.3-107.7000114.8
258P53.5Low36.4Very low120 Ų120133.2 Ų133.278%0.77978%0.777SS**  -151.3-160.153.744-20.5000119
259E32.2Very low36.3Very low180 Ų180127 Ų12784%0.84178%0.777SS**  trans-82.8162.4-167.3-52.41639200116.4
260A34.6Very low36Very low96 Ų96127.2 Ų127.279%0.79378%0.784SS**  163.8128.1121.100000117
261F28Very low35.7Very low176 Ų176127.7 Ų127.777%0.77279%0.788SS**  45125.1124.9-151.8-89.3000124
262W31Very low35.6Very low230 Ų230126.9 Ų126.987%0.87179%0.792SS**  trans-173.2176.9130.266-81.6000113.7
263E30Very low35.5Very low147 Ų147127.9 Ų127.969%0.68779%0.792SS**  trans-130.3165.1-163.1-75.3179.37400116.6
264A29.1Very low35.3Very low83 Ų83129.7 Ų129.769%0.68679%0.793SS**  trans79116.7150.900000122.5
265S32.9Very low35.3Very low115 Ų115132.3 Ų132.380%0.80479%0.791SS**  40.9163.5107.8-87.50000122.8
266P59Low35.2Very low106 Ų106135.9 Ų135.969%0.68879%0.791SS**  cis-141.1-154.5-10.433.4-8.5000114.4
267C28.1Very low34.6Very low121 Ų121137 Ų13782%0.81879%0.786SS**  trans82.7154160.9-64.70000119.1
268A30.5Very low34.9Very low99 Ų99133.9 Ų133.982%0.81879%0.785SS**  cis-169.5143.5-29.700000109.5
269G29Very low33.9Very low82 Ų82135.5 Ų135.585%0.84578%0.782SS**  trans149134.9169.500000115.8
270A30.7Very low33.9Very low98 Ų98135.1 Ų135.181%0.8179%0.785SS**  trans-152.6-175.5175.400000108
271P52.3Low33.9Very low117 Ų117135.4 Ų135.476%0.7678%0.781SS**  cis-129.4170.7-1639.8-26000113.3
272S34.8Very low34.7Very low110 Ų110132.7 Ų132.777%0.76978%0.781SS**  trans-171.7124.2136.422.10000115.6
273Q33.1Very low35.5Very low177 Ų177127.9 Ų127.983%0.82778%0.779SS**  trans56.7120.9132.2-61-16820.800122.8
274C27.1Very low35.7Very low108 Ų108128.2 Ų128.273%0.7379%0.786SS**  trans92.3130.2131-70.40000122.5
275L29.3Very low35.9Very low163 Ų163129.8 Ų129.885%0.85379%0.787SS**  trans70.385.3147.7-61.1171.7000120.7
276Y30.1Very low36.1Very low216 Ų216133.2 Ų133.285%0.84779%0.787SS**  26137.8120-152.6-106.4000121.6
277E36.8Very low35.4Very low141 Ų141134.5 Ų134.566%0.65980%0.796SS**  trans85.9100.9160.5-152.6173.1136.900119.9
278P40.9Very low35.4Very low127 Ų127132 Ų13283%0.82579%0.791SS**  trans-92.7122.5158.2-0.520.9000111.9
279Q33.3Very low35.6Very low153 Ų153136.1 Ų136.172%0.71580%0.798SS**  trans-58139.2166.9-74.8-968.800112.8
280L32Very low35.5Very low173 Ų173144.4 Ų144.491%0.90680%0.803SS**  trans-142.8130.2149.7-82.8-176.2000111.4
281S34Very low35.6Very low102 Ų102144 Ų14471%0.71380%0.8SS**PPolyproline II helixtrans-100.7162.7176.2-770000111.4
282P44.6Very low35.1Very low119 Ų119143.9 Ų143.977%0.77380%0.799SS**PPolyproline II helixtrans-88155.8-169.135.1-36.5000114.3
283P48.4Very low35.4Very low128 Ų128145 Ų14583%0.83180%0.803SS**PPolyproline II helixtrans-87.7154.9162.535.8-32.9000112.2
284D33.7Very low35.3Very low155 Ų155141.4 Ų141.483%0.82980%0.804SS**  trans-145164.5178.5-156.2-19.2000110.8
285V34.3Very low35.7Very low116 Ų116141.4 Ų141.470%0.70381%0.806SS**  trans70.696.2167-165.40000119.7
286K36.3Very low36.2Very low187 Ų187139.5 Ų139.581%0.81380%0.803SS**  33136.1128.8-70-178.4176.8175.90122.1
287P43.2Very low36.2Very low133 Ų133133.5 Ų133.586%0.86480%0.798SS**  -90.1-178.585.623.2-35000115.2
288G29.2Very low35.9Very low69 Ų69135 Ų13571%0.71181%0.81SS**  cis-163.5-144.86.300000113.1
289L33.8Very low35.2Very low185 Ų185136.8 Ų136.897%0.96981%0.812SS**  trans-133.7129.4-169.4-77.1165.9000115.3
290R27.8Very low35Very low256 Ų256133.9 Ų133.997%0.96681%0.814SS**  trans-159.3148.3131.4-149.4166.6-175.3163.71.3109.3
291A33Very low34.9Very low89 Ų89130.1 Ų130.174%0.73681%0.808SS**  trans-105.7152-162.400000115
292P41.7Very low34.6Very low114 Ų114131.1 Ų131.174%0.7482%0.815SS**PPolyproline II helixtrans-89.9151.3156.836.2-31.1000111.5
293P41.4Very low33.8Very low133 Ų133129.5 Ų129.586%0.86481%0.812SS**PPolyproline II helixtrans-73.3158.6173.231.1-34.7000112.7
294A30.6Very low32.9Very low102 Ų102133.4 Ų133.484%0.84382%0.816SS**PPolyproline II helixtrans-98.7169.6-173.200000114.3
295S35.1Very low32.7Very low109 Ų109135.9 Ų135.976%0.76282%0.819SS**PPolyproline II helixtrans-72.2168.3179.3-41.40000113.8
296P40.7Very low32.5Very low123 Ų123133.6 Ų133.680%0.79982%0.82SS**  -118.614596.135.1-33.9000111.7
297A28.9Very low32.6Very low89 Ų89130.7 Ų130.774%0.73682%0.82SS**  cis76.5103.245.400000112.9
298L31.8Very low31.9Very low173 Ų173135.4 Ų135.491%0.90682%0.822SS**  trans-139.2116.7172.2-83.3175.6000109.7
299D26.2Very low31.9Very low165 Ų165136.3 Ų136.388%0.88282%0.823SS**  trans-150.5150.9169.9-86.2-54.3000106.2
300A29.3Very low32.3Very low91 Ų91133.2 Ų133.275%0.75281%0.814SS**  cis-167.1142.7-20.200000109.9
301A28.5Very low32.3Very low95 Ų95131.8 Ų131.879%0.78581%0.809SS**  trans-164.2128.6159.400000107.7
302S27.8Very low32.3Very low122 Ų122135.1 Ų135.185%0.85381%0.809SS**  72.5125.556.4-158.90000112
303A28.7Very low31.9Very low85 Ų85136.8 Ų136.870%0.70281%0.811SS**  cis-14415712.700000113.4
304F28.3Very low31.3Very low210 Ų210137.9 Ų137.992%0.92181%0.809SS**  trans-123.2119.3159.3-118.6-90.7000108.7G306F304-G306 PolarHBondContact O-N 3.27Å
305K30.3Very low31.3Very low207 Ų207138.2 Ų138.290%0.981%0.805SS**  trans-78.9115.9174.6-82.3-179.2175.11760109.6
306G30.8Very low31.1Very low69 Ų69140.3 Ų140.371%0.71181%0.813SS**  trans-111124162.400000109.6F304F304-G306 PolarHBondContact O-N 3.27Å
307P38Very low30.5Very low126 Ų126138.1 Ų138.182%0.81881%0.813SS**  trans-77.1138.6172.931.6-32.7000110.4
308Y27.4Very low30.7Very low231 Ų231138.7 Ų138.791%0.90682%0.817SS**  trans-147.7123162.5-141.5-91.8000109.9
309A29.7Very low31.5Very low89 Ų89137 Ų13774%0.73682%0.816SS**  trans-136.3150.1169.700000107.9
310P42.1Very low31.7Very low119 Ų119133 Ų13377%0.77381%0.814SS**  trans-98.9165-156.9417.5000113
311W28.5Very low31.8Very low226 Ų226136 Ų13686%0.85682%0.818SS**  trans-125.3135.8150.765.4-84000109.6
312E31.5Very low31.7Very low160 Ų160136.8 Ų136.875%0.74882%0.816SS**  trans-100.5162.9167.6-80.4-147.4137.100110.2
313L33.4Very low31.7Very low149 Ų149134.6 Ų134.678%0.7881%0.813SS**  trans42.3109149.2-65.3168.5000118.8
314L28.8Very low32Very low156 Ų156136 Ų13682%0.81782%0.818SS**  trans-141.2141.3144.4-106.9174.3000110.8
315S31.6Very low32.1Very low109 Ų109135.6 Ų135.676%0.76282%0.818SS**  trans-162.1144.4170.8-77.60000110
316V31.7Very low32.1Very low153 Ų153129.8 Ų129.893%0.92782%0.818SS**  trans72.6129.1177.3-166.20000115.5
317G27.3Very low32Very low77 Ų77129.3 Ų129.379%0.79481%0.813SS**  trans127.8120164.800000115.3
318A32.3Very low31.6Very low100 Ų100133.9 Ų133.983%0.82682%0.815SS**  trans-162.1170.8171.800000108.8
319P49.3Very low31.9Very low137 Ų137130.6 Ų130.689%0.8981%0.808SS**  cis-121.6176.2-1338.5-23.7000113.5
320G30.4Very low31.8Very low82 Ų82130 Ų13085%0.84580%0.795SS**  trans-159.1154.6175.500000112.2
321N31.4Very low31.5Very low155 Ų155128.4 Ų128.483%0.82979%0.792SS**  trans-105.9156.9-152.2-154.715.9000116.9
322C26.6Very low32.1Very low110 Ų110123.9 Ų123.974%0.74379%0.792SS**  trans54.3125.6151.266.80000125.1
323G28.3Very low32.2Very low76 Ų76125.6 Ų125.678%0.78480%0.8SS**  trans84.4159.6143.700000119.7
324S34.1Very low31.9Very low115 Ų115123 Ų12380%0.80480%0.8SS**  cis-172.9130.9-28.148.70000112.8
325Q31.1Very low31.8Very low201 Ų201127.4 Ų127.494%0.93981%0.806SS**  trans54.1140.5158.6-60.6-168.1700123.2
326G30.4Very low31.9Very low86 Ų86132 Ų13289%0.88781%0.813SS**  trans81.8155.2151.900000118.4
327G28Very low32.3Very low59 Ų59130.6 Ų130.661%0.60881%0.807SS**  cis162.2104.2-1400000115.9
328Y29.4Very low32.4Very low221 Ų221130.8 Ų130.887%0.86780%0.801SS**  trans72.9124.1152.5-46.6-66000122.8
329Q34Very low32.2Very low162 Ų162134.2 Ų134.276%0.75780%0.804SS**  69.3151.2129.6-59.6-77.728.700119.9
330T27.3Very low31.2Very low76 Ų76131.1 Ų131.147%0.46680%0.797SS.*  cis-154.6-179.922.2-9.40000113.5A368T330-A368 HydrophobicContact CG2-CB 3.45Å; T330-A368 VanDerWaalsContact CG2-CB 3.45Å; T330-A368 WeakPolarHBondContact OG1-CB 3.47Å
331A35.2Very low31.2Very low86 Ų86133 Ų13371%0.71179%0.792SS**  trans-94.9-177.9178.700000114.4
332P41.3Very low31.2Very low132 Ų132134 Ų13486%0.85779%0.789SS**  -149.9-179.894.540-22.1000117.2
333E34.6Very low31.4Very low195 Ų195134.4 Ų134.491%0.91178%0.782SS**  trans-93.8168.3-179-64.517772.200115.8
334A26.8Very low31.6Very low95 Ų95139 Ų13979%0.78578%0.783SS**  trans-155.1113154.900000116.8
335R26.6Very low31.4Very low249 Ų249139.9 Ų139.994%0.9478%0.779SS**  trans62.5146.2142.4-71.9-177.2163.8122-2.7124.1
336F33Very low31.5Very low205 Ų205137 Ų13790%0.89977%0.769SS**  trans-96.8162.2171.5-75.2-94000113.4
337P40.6Very low31.5Very low124 Ų124139.8 Ų139.881%0.80576%0.763SS**  -149.4-168.4106.640.2-24.3000114.7
338A29.7Very low31.5Very low81 Ų81141.6 Ų141.667%0.66977%0.766SS**  -170.5141.3-6200000113.3
339I28.3Very low31.6Very low172 Ų172139.2 Ų139.288%0.88277%0.767SS**  trans68.6137.3153.3-61.1160.8000120.4
340G28Very low31.2Very low72 Ų72137 Ų13774%0.74277%0.77SS**  trans17584.5169.500000118.9
341T31.4Very low31.1Very low121 Ų121138.8 Ų138.874%0.74278%0.784SS**  trans-31157165.656.40000119.7
342K30.1Very low31.5Very low177 Ų177140.5 Ų140.577%0.7779%0.788SS**  -175.9149.466.5-87.9-168.5168.4-172.60116.4
343I30.7Very low31Very low118 Ų118138.4 Ų138.461%0.60578%0.781SS**  trans63.1106.5131.9-62.7-178.1000120
344E32.7Very low30.7Very low171 Ų171138.2 Ų138.280%0.79978%0.78SS**  81.7146.396.2-66.7163.9-171.400115.5
345D29.8Very low30.8Very low134 Ų134141.4 Ų141.472%0.71778%0.784SS**  cis-124.8-136.97.1-160.314.2000111.2
346L33.2Very low31.8Very low140 Ų140134.9 Ų134.973%0.73377%0.773SS**  cis-154.4162.26.5-136.8-175.7000111.5
347L31Very low31.6Very low145 Ų145129.4 Ų129.476%0.75977%0.766SS**  trans-56.9158172.3-60.7164.7000113.2
348S28.2Very low31.1Very low97 Ų97129.9 Ų129.968%0.67877%0.766SS**  cis-163.1152.518.5-136.80000112.2
349I30.2Very low32.4Very low172 Ų172131.6 Ų131.688%0.88277%0.77SS**  trans176.4145.2140.8-92.5155.4000108.9
350S26Very low32.6Very low116 Ų116127.2 Ų127.281%0.81176%0.76SS**  trans-92.6159-157.7-53.40000117.6
351C26.9Very low32.8Very low112 Ų112131 Ų13176%0.75776%0.763SS**  trans-64.5176.9173.1-42.40000113.5
352P42.4Very low32.7Very low123 Ų123135.7 Ų135.780%0.79977%0.767SS**  -102.3156.252.1-6.528.3000113.4
353A30.6Very low32.7Very low87 Ų87133 Ų13372%0.71976%0.761SS**  cis69133.749.400000113.1
354E28.8Very low32.6Very low191 Ų191137.2 Ų137.289%0.89377%0.771SS**  cis-123.8-16422.3-57.8-167.499.700115.9
355L28.2Very low33.8Very low163 Ų163134.3 Ų134.385%0.85377%0.766SS**  trans-153.5-175.5-163-88.6179.3000109.1
356P47.9Very low34Very low111 Ų111133.9 Ų133.972%0.72177%0.774SS**  cis-138.7-172.2-30.634.9-15000115.1
357A28.8Very low34Very low90 Ų90131.1 Ų131.174%0.74478%0.779SS**  trans75.9160.9146.900000119.1
358V29.7Very low34.3Very low134 Ų134126.7 Ų126.781%0.81276%0.763SS**  cis-137.1149.99.3179.90000110.3
359P56.9Low34.6Very low117 Ų117131.5 Ų131.576%0.7677%0.768SS**  trans-107169.5179.240.3-35000115.7
360A32.8Very low34.8Very low80 Ų80130 Ų13066%0.66176%0.762SS**  153.9149.8127.300000117.6
361N31.7Very low35.3Very low152 Ų152128.8 Ų128.881%0.81376%0.759SS**  trans66.2146.7155.5-56.1-31.7000119
362R30.8Very low35.7Very low219 Ų219132.9 Ų132.983%0.82676%0.764SS**  cis-151.5147.239.4-83.6-173.6147.7143.4-5.1113.3
363L29.1Very low36.3Very low121 Ų121132.3 Ų132.363%0.63476%0.76SS**  64.5146.195.1-45.9178.3000116.2
364Y29.6Very low36.4Very low207 Ų207136.2 Ų136.281%0.81277%0.768SS**  cis-159.9-159.2-2.2-126.6-27.4000114
365P57.9Low36.7Very low109 Ų109131 Ų13171%0.70876%0.758SS**  trans-129.7-152.7-150.747.3-25.1000115.8
366S33.2Very low37.7Very low125 Ų125129.7 Ų129.787%0.87476%0.759SS**  trans-152172.7161.263.30000113.4
367G32.9Very low36.9Very low82 Ų82127.7 Ų127.785%0.84576%0.758SS**  trans-138.5-152.2-166.200000117.6
368A38.1Very low37Very low52 Ų52131.3 Ų131.343%0.4377%0.765SS.*  trans-113.7171.8-15600000117.3T330T330-A368 HydrophobicContact CG2-CB 3.45Å; T330-A368 VanDerWaalsContact CG2-CB 3.45Å; T330-A368 WeakPolarHBondContact OG1-CB 3.47Å
369Y33.6Very low37.1Very low198 Ų198133 Ų13378%0.77677%0.769SS**  151.6137.9126.1-85.4-66.8000118
370D35.6Very low35.8Very low142 Ų142131.1 Ų131.176%0.75977%0.771SS**  trans53.4159.6136.7-67.3-1.3000125.3
371A36.6Very low35.9Very low90 Ų90137.1 Ų137.174%0.74479%0.785SS**  cis-171.4-173.2-20.800000114.3
372F34.6Very low35.8Very low198 Ų198133.6 Ų133.687%0.86879%0.785SS**  trans-48.6160.4-172-89.5-81.3000123.1
373P54.7Low35.9Very low110 Ų110127.2 Ų127.271%0.71478%0.779SS**  -140.1-17897.242.4-29.3000113.4
374L33.5Very low36.1Very low170 Ų170130.4 Ų130.489%0.8979%0.791SS**  cis-158.8-167.4-4.9-126.5172.7000111.1
375A35.4Very low36.2Very low81 Ų81124.3 Ų124.367%0.66979%0.791SS**  trans-153.5-171.9178.200000110.7
376P48.8Very low35.2Very low135 Ų135127.7 Ų127.788%0.87780%0.802SS**  cis-139.6-157.21.845.5-24.9000115.7
377G31Very low36.4Very low69 Ų69127.6 Ų127.671%0.71180%0.798SS**  trans166.4170.9169.700000111.9
378D29.7Very low36.3Very low166 Ų166127.1 Ų127.189%0.88879%0.793SS**  cis-163-164.7-15.2-147.1-79.5000110.9
379L33.3Very low36Very low170 Ų170132.2 Ų132.289%0.8981%0.813SS**  trans-114.1147.6-170.8-75.8174000118.6
380G28.9Very low35.7Very low77 Ų77130.1 Ų130.179%0.79481%0.814SS**  trans165.8143.5165.600000114.3
381E35.2Very low35.5Very low207 Ų207129.6 Ų129.697%0.96782%0.816SS**  trans-118.2153.3-163.9-67.2-179.689.100117.7
382G30.1Very low36.4Very low78 Ų78130.7 Ų130.780%0.80482%0.815SS**  trans91157.715000000118.8
383A32.7Very low37.3Very low85 Ų85126.7 Ų126.770%0.70281%0.81SS**  cis-171.5167.6-2100000109
384E32.3Very low36Very low188 Ų188127.2 Ų127.288%0.87982%0.816SS**  trans59.1134.8164.8-46.8-48.192.400121.7
385G32.4Very low35.9Very low79 Ų79122 Ų12281%0.81480%0.803SS**  trans140.398.9160.300000117
386L36.3Very low35.9Very low179 Ų179127.9 Ų127.994%0.93782%0.817SS**  trans-103.2167.3179.6-82.1173.6000114.1
387P58.6Low35Very low124 Ų124125 Ų12581%0.80581%0.812SS**  trans-116.6-178.2-15544.1-37.2000116.5
388G32Very low35.1Very low72 Ų72125.7 Ų125.774%0.74282%0.819SS**  trans122.7167.4168.100000113.5
389L30Very low35.2Very low159 Ų159124 Ų12483%0.83282%0.82SS**  cis-169176.3-12-133.5-179.5000108.7
390L29Very low35.3Very low153 Ų153121.8 Ų121.880%0.80182%0.819SS**  trans77.6171.7163.8-61.5170.8000119.8
391T30.1Very low35.4Very low131 Ų131122 Ų12280%0.80482%0.821SS**  trans-124.4-110.5-156.233.90000116.8
392P56.6Low35.6Very low113 Ų113120.4 Ų120.473%0.73482%0.819SS**  -112.3-174.8-12937.4-19000114.1
393P52.8Low35.8Very low115 Ų115120 Ų12075%0.74782%0.815SS**  cis-141.7-149.914.344.4-22.6000115.5
394S28.4Very low35.9Very low120 Ų120119.4 Ų119.484%0.83982%0.817SS**  trans82.8142.8165.1-58.80000118.7
395G31.3Very low36.2Very low61 Ų61118.2 Ų118.263%0.62981%0.812SS**  cis-171.6-178.3-2.100000113.6
396E33.6Very low36Very low204 Ų204122.8 Ų122.895%0.95381%0.809SS**  trans44.4138.9163.571.2-155.7117.800122.5
397G31.3Very low35.9Very low76 Ų76122.2 Ų122.278%0.78481%0.806SS**  cis170.1176.2-6.700000114.2
398G32.2Very low34.6Very low83 Ų83122.4 Ų122.486%0.85681%0.805SS**  trans78.796150.100000120.2
399S32.2Very low34.4Very low129 Ų129124 Ų12490%0.90281%0.805SS**  trans-158.7125.3144.7-172.10000111.1
400S35.6Very low34.5Very low124 Ų124122.9 Ų122.987%0.86781%0.805SS**  trans-157.4136172.657.70000110.1
401G31.8Very low34.8Very low82 Ų82123.1 Ų123.185%0.84580%0.801SS**  trans-144.2125.8167.100000108.1
402D38.9Very low35.6Very low174 Ų174121.7 Ų121.793%0.9379%0.794SS**  trans-127.5165-176.1-141.4-43.1000110.8
403G34.8Very low34.3Very low69 Ų69123.7 Ų123.771%0.71179%0.794SS**  trans-92.5168.5-175.100000114.3
404G33.5Very low33.2Very low72 Ų72125 Ų12574%0.74279%0.794SS**  trans-155.8130.3173.100000112
405E38.4Very low33.5Very low164 Ų164124.3 Ų124.377%0.76679%0.789SS**  trans-68.3163.9-179.459.8-110.554.300115.9
406F28.2Very low34.4Very low175 Ų175126.7 Ų126.777%0.76879%0.794SS**  177.9140114.8-115-86.7000113.8
407L34.2Very low34.3Very low166 Ų166125.4 Ų125.487%0.86979%0.792SS**  trans156155.2131.4-83179.4000112.9
408V30.8Very low34.1Very low128 Ų128124.5 Ų124.578%0.77678%0.783SS**  trans-138.4162.5-165.6168.70000111.1
409S28.7Very low34.1Very low106 Ų106128.5 Ų128.574%0.74178%0.784SS**  trans80.5144.9179.5-59.70000115.2
410T31.5Very low34.1Very low136 Ų136133 Ų13383%0.83478%0.781SS**  cis-146.3158.313.9-24.80000112.1
411Q35.8Very low34.2Very low157 Ų157132.6 Ų132.673%0.73478%0.778SS**  trans-73.8-179.7160.8-123.5-156.238.700110.5
412P48Very low34.3Very low101 Ų101132.9 Ų132.966%0.65677%0.772SS**  cis-101.4-15621.745.8-41.6000112.5
413Q28.8Very low34Very low155 Ų155129.3 Ų129.372%0.72477%0.767SS**  cis-148.11775.5-122.5-43.12.600110.7
414L29.6Very low33.8Very low143 Ų143130.3 Ų130.375%0.74977%0.769SS**  trans-128.3179.1174-81.4166.8000111.8
415S33.4Very low33.8Very low106 Ų106131.1 Ų131.174%0.74177%0.768SS**  trans108.3156.9158.5-36.50000115.7
416P51.8Low33.3Very low110 Ų110130.5 Ų130.571%0.71477%0.771SS**  -145.7178.7-95.538.4-16.1000116.7
417L30.1Very low33.5Very low177 Ų177131.2 Ų131.293%0.92777%0.774SS**  trans56.4143.5158.7-64163.1000118.5
418G27.5Very low34.3Very low57 Ų57129.1 Ų129.159%0.58877%0.77SS**  cis169.8-171.70.100000110.2
419L33.1Very low34.8Very low167 Ų167131.4 Ų131.487%0.87477%0.769SS**  trans72145.8-179.4-48.2172.1000114.4
420R32.4Very low35.6Very low224 Ų224132.5 Ų132.585%0.84577%0.774SS**  cis-151.6169.34.5-134.6168.9-176.5-160.10.4112.1
421S35.9Very low35.9Very low116 Ų116133.5 Ų133.581%0.81177%0.773SS**  trans-43.6170.4-175.5-360000118.8
422A33.8Very low35.7Very low87 Ų87132.6 Ų132.672%0.71978%0.778SS**  cis-154148.917.800000112.8
423A33.5Very low35Very low99 Ų99131.5 Ų131.582%0.81878%0.778SS**  72.9142103.100000117.2
424A31.2Very low35.1Very low91 Ų91131.1 Ų131.175%0.75278%0.781SS**  cis-169.3173.1-13.200000111
425A32.2Very low35.4Very low88 Ų88131.8 Ų131.873%0.72778%0.783SS**  trans67.9150.2157.500000119.8
426D29.2Very low36.3Very low152 Ų152132.6 Ų132.681%0.81379%0.786SS**  cis-159.5173.6-28.7-121.5-60.2000112.7
427F32.1Very low35.3Very low190 Ų190131 Ų13183%0.83379%0.79SS**  trans-86.5-179174.9-91.2-81.9000111.7
428P51.5Low35.3Very low122 Ų122127.9 Ų127.979%0.79278%0.783SS**  cis-145.5-178.122.945.7-25.3000119.4
429K39.8Very low35.6Very low176 Ų176130.7 Ų130.777%0.76579%0.794SS**  trans-95.2166155.7-96.4178.5175.61750110.2
430P45.2Very low35.5Very low128 Ų128126.4 Ų126.483%0.83179%0.789SS**  trans-104155147.234.4-28.2000112.9
431L38Very low35.8Very low157 Ų157122.8 Ų122.882%0.82279%0.792SS**  trans-143.4137.4176.6-83.4171000109.9
432V32.8Very low35.7Very low138 Ų138122 Ų12284%0.83679%0.792SS**  trans-155122.8163.3-1790000104.9
433A33Very low36Very low79 Ų79122.1 Ų122.165%0.65379%0.794SS**  cis80.582.730.700000113.7
434D31.3Very low37Very low146 Ų146122.9 Ų122.978%0.78179%0.79SS**  114.3174.181.8-106.1-79.5000109.1
435I35.9Very low37.9Very low157 Ų157124.6 Ų124.681%0.80579%0.794SS**  cis-145175.113.67.4178000109.6
436P51.6Low38.8Very low123 Ų123126.7 Ų126.780%0.79980%0.797SS**  trans-104.7164.8-154.540.6-40.6000119.8
437G30.5Very low40.3Very low77 Ų77124.7 Ų124.779%0.79479%0.792SS**  trans-176.4146.3160.500000112.4
438S31.2Very low41.6Very low111 Ų111121.1 Ų121.178%0.77679%0.788SS**  cis-159.3152.5-0.4560000112.5
439S33.4Very low41.9Very low117 Ų117120.7 Ų120.782%0.81879%0.786SS**  trans41.6114.2159.961.20000119.7
440G31Very low42.6Very low76 Ų76117.6 Ų117.678%0.78478%0.783SS**  118.1160.184.200000109.6
441V39.2Very low42.6Very low148 Ų148117.4 Ų117.490%0.89778%0.782SS**  cis-135.71522172.40000108.2
442A33.1Very low42.9Very low99 Ų99115 Ų11582%0.81877%0.774SS**  trans-81.2148.1-176.400000114.2
443A39.4Very low43.2Very low91 Ų91114.5 Ų114.575%0.75277%0.774SS**  trans-118.9151166.300000109.6
444P55.4Low43.6Very low115 Ų115119.1 Ų119.175%0.74778%0.779SS**PPolyproline II helixtrans-73.4148.8-16728.6-35.7000113.8V446P444-V446 PolarHBondContact O-N 3.14Å
445P49.9Very low44.4Very low127 Ų127117.4 Ų117.483%0.82578%0.776SS**PPolyproline II helixtrans-71.8127177.229.5-34000111.7
446V51.7Low44.7Very low132 Ų132115.4 Ų115.480%0.877%0.773SS**PPolyproline II helixtrans-72133.6170.9-179.50000109.1P444P444-V446 PolarHBondContact O-N 3.14Å
447P61.3Low44.2Very low109 Ų109114 Ų11471%0.70877%0.772SS**PPolyproline II helixtrans-66144.7178.127.2-35000111.6
448P58.5Low44.5Very low115 Ų115120 Ų12075%0.74778%0.776SS**PPolyproline II helixtrans-66.6148176.828.9-34.8000111.2
449P57Low44.7Very low114 Ų114120.5 Ų120.574%0.7477%0.774SS**PPolyproline II helixtrans-64.5150.417628.4-35.1000111.2
450P54.9Low45.1Very low110 Ų110126.2 Ų126.271%0.71478%0.778SS**PPolyproline II helixtrans-62.1145.8178.826.8-34.9000111.1T452P450-T452 PolarHBondContact O-N 2.83Å; P450-T452 VanDerWaalsContact O-N 3.11Å
451P44.7Very low45.3Very low125 Ų125133.4 Ų133.481%0.81278%0.782SS**  trans-64115.9179.826.4-33.8000110
452T44.5Very low45.2Very low106 Ų106136.1 Ų136.165%0.6578%0.781SS**  trans-62.5140.6172.349.50000109.7P450 F454P450-T452 PolarHBondContact O-N 2.83Å; P450-T452 VanDerWaalsContact O-N 3.11Å; T452-F454 PolarHBondContact O-N 3.31Å
453P39.2Very low45.3Very low127 Ų127134.2 Ų134.283%0.82577%0.772SS**  trans-6998.7-178.727-33.8000109.8
454F41.3Very low45.4Very low176 Ų176141.6 Ų141.677%0.77278%0.78SS**PPolyproline II helixtrans-53129168.2-77.2-93.1000108.9T452T452-F454 PolarHBondContact O-N 3.31Å
455P47.8Very low45.1Very low111 Ų111147.6 Ų147.672%0.72179%0.788SS**PPolyproline II helixtrans-58130.1171.825.5-33.3000107.6A457P455-A457 PolarHBondContact O-N 3.07Å
456P42.7Very low45Very low114 Ų114144.8 Ų144.874%0.7478%0.782SS**PPolyproline II helixtrans-54.9120.4-163.118.5-32.3000110.2K458P456-K458 PolarHBondContact O-N 2.9Å
457A41.5Very low44.8Very low93 Ų93142.1 Ų142.177%0.76978%0.781SS**  trans-50.7110.4-177.300000108P455 V459P455-A457 PolarHBondContact O-N 3.07Å; A457-V459 VanDerWaalsContact C-N 3.28Å; A457-V459 PolarHBondContact O-N 3.05Å
458K37.1Very low44.2Very low203 Ų203146.9 Ų146.988%0.88379%0.79SS**  trans-65.892.4-169.2-76.2178.9179.8169.20108.7P456 R460P456-K458 PolarHBondContact O-N 2.9Å; K458-R460 PolarHBondContact O-N 3.15Å
459V34.9Very low43.5Very low122 Ų122145.4 Ų145.474%0.73978%0.781SS**  trans-43.5115.1177.4173.50000106.1A457 R461A457-V459 VanDerWaalsContact C-N 3.28Å; A457-V459 PolarHBondContact O-N 3.05Å; V459-R461 HydrophobicContact CG1-CG 4.45Å; V459-R461 PolarHBondContact O-N 3.28Å
460R42.5Very low43.4Very low238 Ų238144 Ų14490%0.89877%0.774SS**  trans-73.565.6-172-175.3175.5164-156-0.7108.6K458 K462K458-R460 PolarHBondContact O-N 3.15Å; R460-K462 PolarHBondContact O-N 2.82Å
461R35.2Very low43.2Very low227 Ų227146 Ų14686%0.85779%0.785SS**  trans-48.7106172.3-75.2-171.8175.6-165.6-1104.9V459 G463V459-R461 HydrophobicContact CG1-CG 4.45Å; V459-R461 PolarHBondContact O-N 3.28Å; R461-G463 PolarHBondContact O-N 3.29Å
462K37.3Very low43.6Very low204 Ų204151 Ų15189%0.88779%0.787SS**  trans-71.575.6-174.6-170.3173.3-176.7176.50106.7R460 R464R460-K462 PolarHBondContact O-N 2.82Å; K462-R464 PolarHBondContact O-N 3.24Å; K462-R464 VanDerWaalsContact O-N 3.12Å
463G35.2Very low43.5Very low60 Ų60149 Ų14962%0.61978%0.777SS**  trans-50.1121.7-166.200000108.7R461 R465R461-G463 PolarHBondContact O-N 3.29Å; G463-R465 PolarHBondContact O-N 3.29Å
464R41.8Very low44.1Very low246 Ų246153.1 Ų153.193%0.92878%0.783SS**  trans-49.7112.3179.5-74-174.8175.7-134.51.7106.5K462 G466K462-R464 PolarHBondContact O-N 3.24Å; K462-R464 VanDerWaalsContact O-N 3.12Å; R464-G466 PolarHBondContact O-N 2.68Å
465R48.8Very low44.2Very low241 Ų241148.1 Ų148.191%0.90977%0.769SS**PPolyproline II helixtrans-52.6117.1179.7-77.5-175.7-78.7-146-0.1106.1G463 G467G463-R465 PolarHBondContact O-N 3.29Å; R465-G467 PolarHBondContact O-N 3.48Å
466G47.8Very low44.4Very low68 Ų68149.1 Ų149.170%0.70178%0.775SS**PPolyproline II helixtrans-48.4129.3-162.500000110.5R464 K468R464-G466 PolarHBondContact O-N 2.68Å; G466-K468 PolarHBondContact O-N 3.1Å
467G46.9Very low44.6Very low75 Ų75153.2 Ų153.277%0.77378%0.776SS**PPolyproline II helixtrans-50.4131-178.600000109.5R465 C469R465-G467 PolarHBondContact O-N 3.48Å; G467-C469 PolarHBondContact O-N 3.12Å
468K48.8Very low45.1Very low210 Ų210154.6 Ų154.691%0.91378%0.777SS**  trans-56.9102.4-178.3-54.9168.5-171.2172.20107.6G466 S470G466-K468 PolarHBondContact O-N 3.1Å; K468-S470 PolarHBondContact O-N 2.86Å
469C44.5Very low45.8Very low83 Ų83151.8 Ų151.856%0.56177%0.767SS**  trans-61.9128.3165.352.90000106.5G467 C473G467-C469 PolarHBondContact O-N 3.12Å; C469-C473 HydrophobicContact CB-CB 4.01Å
470S54.7Low46.9Very low84 Ų84150.2 Ų150.259%0.58777%0.766SS**  trans-62.9153.4176.155.20000108.7K468 R472 C473K468-S470 PolarHBondContact O-N 2.86Å; S470-R472 PolarHBondContact O-N 3.4Å; S470-C473 PolarHBondContact O-N 3.45Å; S470-C473 VanDerWaalsContact O-N 3.11Å
471T51.1Low47.6Very low153 Ų153148.1 Ų148.194%0.93976%0.764SS**THydrogen-bonded Turntrans-69.525.9-166.938.80000115.3
472R52.4Low49.8Very low229 Ų229140.3 Ų140.386%0.86475%0.748SS**THydrogen-bonded Turntrans-133.22.4175-58.1-172.8-173.3-178.33.5113.9S470 F474S470-R472 PolarHBondContact O-N 3.4Å; R472-F474 PolarHBondContact O-N 2.96Å
473C42.8Very low51.9Low65 Ų65134.8 Ų134.844%0.43972%0.724SS.*  trans-74.992.9174.6-65.50000111.5C469 S470 C475C469-C473 HydrophobicContact CB-CB 4.01Å; S470-C473 PolarHBondContact O-N 3.45Å; S470-C473 VanDerWaalsContact O-N 3.11Å; C473-C475 PolarHBondContact O-N 3.34Å
474F50.9Low54.3Low213 Ų213134.9 Ų134.993%0.93472%0.719SS**  trans-76.759.2174-125-85.1000111.6R472 P476R472-F474 PolarHBondContact O-N 2.96Å; F474-P476 WeakPolarHBondContact O-CD 2.96Å
475C42.4Very low56.5Low72 Ų72124 Ų12449%0.48668%0.68SS.*  trans-79118.6179-63.70000110.5C473 R477C473-C475 PolarHBondContact O-N 3.34Å; C475-R477 PolarHBondContact O-N 3.16Å
476P52.8Low58.2Low132 Ų132117.2 Ų117.286%0.85767%0.667SS**  trans-7510.3177.432.4-36.7000113.5F474F474-P476 WeakPolarHBondContact O-CD 2.96Å
477R47.3Very low60Low200 Ų200116.3 Ų116.376%0.75565%0.648SS**SBendtrans-83.1122.6173.4-69.6-176.7173.3-178.1-2.5108.5C475 H479C475-R477 PolarHBondContact O-N 3.16Å; R477-H479 PolarHBondContact O-CD2 3.49Å; R477-H479 PolarHBondContact O-N 2.81Å
478P51.7Low61.5Low121 Ų121122 Ų12279%0.78666%0.655SS**  trans-6997.4-178.326.7-33.8000110.8A480P478-A480 PolarHBondContact O-N 3.05Å
479H52.7Low63.2Low145 Ų145117.2 Ų117.267%0.67165%0.648SS**SBendtrans-71.1115.4174.3-74.5-87.1000109.6R477R477-H479 PolarHBondContact O-CD2 3.49Å; R477-H479 PolarHBondContact O-N 2.81Å
480A57.5Low65.3Low88 Ų88114.4 Ų114.473%0.72763%0.629SS**SBendtrans71.7131.1-164.300000114.5P478 A482P478-A480 PolarHBondContact O-N 3.05Å; A480-A482 PolarHBondContact O-N 3.32Å; A480-A482 VanDerWaalsContact O-N 3.16Å
481K57.2Low66.7Low195 Ų195117.8 Ų117.885%0.84865%0.646SS**  trans-71.2105.3177.1-61.1-178179.8-172.60108.8
482A80.2Confident68.3Low63 Ų63116.8 Ų116.852%0.52163%0.625SS.*  trans-72.3134175.100000110.4A480 A484 F494A480-A482 PolarHBondContact O-N 3.32Å; A480-A482 VanDerWaalsContact O-N 3.16Å; A482-A484 PolarHBondContact O-N 3.09Å; A482-A484 VanDerWaalsContact O-N 3.12Å; A482-F494 CarbonylContact C-O 3.6Å
483F81.7Confident70Confident87 Ų87109.7 Ų109.738%0.38261%0.61SS.*EExtended strand (participates in β ladder)trans-78.893.7176.6-67.4-87.6000108.7S493 F494 L500F483-S493 CarbonylContact O-C 3.49Å; F483-S493 WeakPolarHBondContact O-CA 3.46Å; F483-F494 HydrophobicContact CB-CB 4.46Å; F483-F494 PolarHBondContact N-O 3.4Å; F483-F494 PolarHBondContact O-N 3.3Å; F483-L500 HydrophobicContact CB-CB 4.02Å; F483-L500 HydrophobicContact CB-CD2 3.88Å
484A86.9Confident72.1Confident63 Ų63107.9 Ų107.952%0.52160%0.595SS.*EExtended strand (participates in β ladder)trans-68.4149.9174.600000111.5A482 P486 L500A482-A484 PolarHBondContact O-N 3.09Å; A482-A484 VanDerWaalsContact O-N 3.12Å; A484-P486 WeakPolarHBondContact O-CD 3.23Å; A484-L500 WeakPolarHBondContact O-CD2 3.32Å
485C88.3Confident73.9Confident16 Ų16101.9 Ų101.911%0.10859%0.585CS.*  trans-71.1125.5169.9-173.90000110.3V487 C490 R492 L500 H507C485-V487 PolarHBondContact O-N 2.84Å; C485-C490 HydrophobicContact CB-CB 4.38Å; C485-C490 WeakPolarHBondContact CB-O 3.4Å; C485-R492 VanDerWaalsContact CB-O 3.3Å; C485-R492 WeakPolarHBondContact CB-O 3.36Å; C485-R492 PolarHBondContact N-O 3.37Å; C485-L500 HydrophobicContact CB-CD1 4.26Å; C485-H507 PolarHBondContact SG-NE2 2.92Å
486P83.8Confident76Confident99 Ų99105.2 Ų105.264%0.64359%0.587SS**SBendtrans-67-15.4174.5-22.333.9000114.8A484 E488A484-P486 WeakPolarHBondContact O-CD 3.23Å; P486-E488 PolarHBondContact O-N 3.42Å
487V85.6Confident77.6Confident49 Ų49101.8 Ų101.830%0.29757%0.566SS.*SBendtrans-79.5113.1179-177.80000109.5C485 S489 C490 H507C485-V487 PolarHBondContact O-N 2.84Å; V487-S489 VanDerWaalsContact C-N 3.26Å; V487-S489 WeakPolarHBondContact CG1-OG 3.23Å; V487-S489 PolarHBondContact O-N 3.5Å; V487-C490 HydrophobicContact CB-CB 4.41Å; V487-C490 WeakPolarHBondContact O-CA 3.49Å; V487-C490 WeakPolarHBondContact O-CB 3.29Å; V487-C490 PolarHBondContact O-N 2.9Å; V487-H507 HydrophobicContact CG2-CB 4.2Å
488E77.6Confident79.4Confident194 Ų19495.3 Ų95.391%0.90755%0.547SS*.THydrogen-bonded Turntrans-56.4-34.6-172.3-58-173.1145.500114.1P486 C490P486-E488 PolarHBondContact O-N 3.42Å; E488-C490 PolarHBondContact O-N 3.34Å; E488-C490 VanDerWaalsContact O-N 3.08Å
489S85.8Confident81.1Confident111 Ų11192.1 Ų92.178%0.77652%0.521SS*.THydrogen-bonded Turntrans-70.11.5175.364.40000114.2V487V487-S489 VanDerWaalsContact C-N 3.26Å; V487-S489 WeakPolarHBondContact CG1-OG 3.23Å; V487-S489 PolarHBondContact O-N 3.5Å
490C86.9Confident82.9Confident24 Ų2486 Ų8616%0.16249%0.494CS..  trans-131.891.9-172.8-151.30000113.4C485 V487 E488 R492 H503 H507C485-C490 HydrophobicContact CB-CB 4.38Å; C485-C490 WeakPolarHBondContact CB-O 3.4Å; V487-C490 HydrophobicContact CB-CB 4.41Å; V487-C490 WeakPolarHBondContact O-CA 3.49Å; V487-C490 WeakPolarHBondContact O-CB 3.29Å; V487-C490 PolarHBondContact O-N 2.9Å; E488-C490 PolarHBondContact O-N 3.34Å; E488-C490 VanDerWaalsContact O-N 3.08Å; C490-R492 PolarHBondContact O-N 3.42Å; C490-H503 PolarHBondContact SG-NE2 3Å; C490-H507 VanDerWaalsContact SG-CE1 3.58Å
491V86.1Confident84.2Confident155 Ų15586.3 Ų86.394%0.93948%0.483SS*.  trans-72.540.1179.1-1560000113.3
492R84.7Confident85.6Confident131 Ų13180.8 Ų80.849%0.49446%0.457SS..  trans-103.9125.9-177.6-63.3-170.373.5174.74.5111.2C485 C490 F494C485-R492 VanDerWaalsContact CB-O 3.3Å; C485-R492 WeakPolarHBondContact CB-O 3.36Å; C485-R492 PolarHBondContact N-O 3.37Å; C490-R492 PolarHBondContact O-N 3.42Å; R492-F494 HydrophobicContact CB-CE2 3.75Å; R492-F494 HydrophobicContact CB-CZ 3.88Å
493S88Confident86Confident81 Ų8178.2 Ų78.257%0.56643%0.434SS*.EExtended strand (participates in β ladder)trans-115.7152.5170.760.60000111.4F483F483-S493 CarbonylContact O-C 3.49Å; F483-S493 WeakPolarHBondContact O-CA 3.46Å
494F86.9Confident86.3Confident26 Ų2676.3 Ų76.311%0.11443%0.427CS..EExtended strand (participates in β ladder)trans-129.8148.6-172.1-61.1-88.2000111.3A482 F483 R492 R496 E499 L500 H503A482-F494 CarbonylContact C-O 3.6Å; F483-F494 HydrophobicContact CB-CB 4.46Å; F483-F494 PolarHBondContact N-O 3.4Å; F483-F494 PolarHBondContact O-N 3.3Å; R492-F494 HydrophobicContact CB-CE2 3.75Å; R492-F494 HydrophobicContact CB-CZ 3.88Å; F494-R496 VanDerWaalsContact C-N 3.25Å; F494-R496 PolarHBondContact O-N 3.07Å; F494-E499 HydrophobicContact CB-CB 4.01Å; F494-E499 HydrophobicContact CD1-CB 3.83Å; F494-E499 HydrophobicContact CG-CB 4.18Å; F494-L500 HydrophobicContact CB-CB 4.43Å; F494-L500 HydrophobicContact CD2-CB 4.06Å; F494-L500 HydrophobicContact CD2-CD1 4.11Å; F494-L500 HydrophobicContact CE2-CD1 4.32Å; F494-L500 HydrophobicContact CG-CB 4.41Å; F494-H503 HydrophobicContact CE1-CB 4.1Å; F494-H503 HydrophobicContact CE2-CB 3.86Å; F494-H503 AromaticContact CE2-CD2 3.29Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.32Å; F494-H503 AromaticContact CE2-CG 3.74Å; F494-H503 HydrophobicContact CZ-CB 3.5Å; F494-H503 VanDerWaalsContact CZ-CB 3.5Å; F494-H503 AromaticContact CZ-CD2 3.42Å; F494-H503 VanDerWaalsContact CZ-CD2 3.42Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.44Å; F494-H503 AromaticContact CZ-CG 3.43Å; F494-H503 VanDerWaalsContact CZ-CG 3.43Å
495A87.2Confident86.3Confident87 Ų8776.1 Ų76.172%0.71941%0.413SS*.SBendtrans-74-17.9178.600000112.9
496R86.2Confident86.2Confident143 Ų14380.6 Ų80.654%0.5444%0.435SS..SBendtrans-140.3153.1-177.4-37.8-161.2-47179.21.1112.4F494 D498 E499 L500F494-R496 VanDerWaalsContact C-N 3.25Å; F494-R496 PolarHBondContact O-N 3.07Å; R496-D498 WeakPolarHBondContact CB-OD1 3.47Å; R496-D498 IonicContact CZ-OD1 2.79Å; R496-D498 VanDerWaalsContact CZ-OD1 3.22Å; R496-D498 IonicContact CZ-OD2 3.68Å; R496-D498 IonicContact NE-OD1 3.57Å; R496-D498 PolarHBondContact NE-OD1 3.42Å; R496-D498 IonicContact NE-OD2 3.62Å; R496-D498 IonicContact NH2-OD1 2.76Å; R496-D498 PolarHBondContact NH2-OD1 3.22Å; R496-D498 IonicContact NH2-OD2 3.06Å; R496-D498 PolarHBondContact NH2-OD2 2.87Å; R496-E499 HydrophobicContact CB-CG 4.18Å; R496-E499 HydrophobicContact CG-CG 4.48Å; R496-E499 PolarHBondContact O-N 2.87Å; R496-L500 PolarHBondContact O-N 3.1Å
497S87.1Confident86.2Confident60 Ų6079.4 Ų79.442%0.4242%0.42SS..Hα-helixtrans-67.1-34.6179.549.60000113.7E499 L500 N501S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.2Å; S497-L500 PolarHBondContact O-N 3.23Å; S497-N501 WeakPolarHBondContact O-CB 3.41Å; S497-N501 VanDerWaalsContact O-CG 3.28Å; S497-N501 PolarHBondContact O-N 2.39Å
498D86.2Confident86.1Confident63 Ų6381.8 Ų81.834%0.33744%0.436SS..Hα-helixtrans-66.8-30.7176.371-68.4000112.3R496 R502R496-D498 WeakPolarHBondContact CB-OD1 3.47Å; R496-D498 IonicContact CZ-OD1 2.79Å; R496-D498 VanDerWaalsContact CZ-OD1 3.22Å; R496-D498 IonicContact CZ-OD2 3.68Å; R496-D498 IonicContact NE-OD1 3.57Å; R496-D498 PolarHBondContact NE-OD1 3.42Å; R496-D498 IonicContact NE-OD2 3.62Å; R496-D498 IonicContact NH2-OD1 2.76Å; R496-D498 PolarHBondContact NH2-OD1 3.22Å; R496-D498 IonicContact NH2-OD2 3.06Å; R496-D498 PolarHBondContact NH2-OD2 2.87Å; D498-R502 WeakPolarHBondContact O-CB 3.12Å; D498-R502 PolarHBondContact O-N 3.21Å
499E87.3Confident86.4Confident55 Ų5574.2 Ų74.226%0.25741%0.41SS..Hα-helixtrans-73.3-39.2176.4-59.6-158.6115.600111.7F494 R496 S497 R502 H503F494-E499 HydrophobicContact CB-CB 4.01Å; F494-E499 HydrophobicContact CD1-CB 3.83Å; F494-E499 HydrophobicContact CG-CB 4.18Å; R496-E499 HydrophobicContact CB-CG 4.18Å; R496-E499 HydrophobicContact CG-CG 4.48Å; R496-E499 PolarHBondContact O-N 2.87Å; S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.2Å; E499-R502 PolarHBondContact O-N 3.06Å; E499-R502 IonicContact OE1-CZ 3.89Å; E499-R502 IonicContact OE1-NH2 2.82Å; E499-R502 PolarHBondContact OE1-NH2 2.96Å; E499-H503 WeakPolarHBondContact O-CB 2.88Å; E499-H503 PolarHBondContact O-N 3.4Å
500L88.8Confident86.5Confident17 Ų1774 Ų749%0.08940%0.396CS..Hα-helixtrans-61.7-49.8168.5172.360.2000110.8F483 A484 C485 F494 R496 S497 R502 H503 L504F483-L500 HydrophobicContact CB-CB 4.02Å; F483-L500 HydrophobicContact CB-CD2 3.88Å; A484-L500 WeakPolarHBondContact O-CD2 3.32Å; C485-L500 HydrophobicContact CB-CD1 4.26Å; F494-L500 HydrophobicContact CB-CB 4.43Å; F494-L500 HydrophobicContact CD2-CB 4.06Å; F494-L500 HydrophobicContact CD2-CD1 4.11Å; F494-L500 HydrophobicContact CE2-CD1 4.32Å; F494-L500 HydrophobicContact CG-CB 4.41Å; R496-L500 PolarHBondContact O-N 3.1Å; S497-L500 PolarHBondContact O-N 3.23Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 3Å; L500-H503 CarbonylContact O-C 3.44Å; L500-H503 WeakPolarHBondContact O-CA 3.37Å; L500-H503 WeakPolarHBondContact O-CB 3.35Å; L500-H503 PolarHBondContact O-N 3.44Å; L500-L504 HydrophobicContact CD1-CD1 4.34Å; L500-L504 HydrophobicContact CD1-CD2 4.44Å; L500-L504 HydrophobicContact CD1-CG 4.03Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.36Å
501N86.4Confident86.6Confident94 Ų9478.3 Ų78.350%0.50341%0.412SS..Hα-helixtrans-61.7-35.2178.7-70.6-10.9000112.1S497 H503 R505S497-N501 WeakPolarHBondContact O-CB 3.41Å; S497-N501 VanDerWaalsContact O-CG 3.28Å; S497-N501 PolarHBondContact O-N 2.39Å; N501-H503 VanDerWaalsContact C-N 3.34Å; N501-R505 PolarHBondContact O-N 3.18Å
502R87Confident86.5Confident79 Ų7973.9 Ų73.930%0.29839%0.387SS..Hα-helixtrans-66.7-32.6170.3-178.5-178.764.8-162.4-5.8112.5D498 E499 L500 R524D498-R502 WeakPolarHBondContact O-CB 3.12Å; D498-R502 PolarHBondContact O-N 3.21Å; E499-R502 PolarHBondContact O-N 3.06Å; E499-R502 IonicContact OE1-CZ 3.89Å; E499-R502 IonicContact OE1-NH2 2.82Å; E499-R502 PolarHBondContact OE1-NH2 2.96Å; L500-R502 VanDerWaalsContact C-N 3.27Å; L500-R502 PolarHBondContact O-N 3Å; R502-R524 HydrophobicContact CG-CG 4.31Å
503H87.9Confident86.8Confident9 Ų970.7 Ų70.74%0.04238%0.376CS..Hα-helixtrans-75.7-39174.4173.941.5000112.9C490 F494 E499 L500 N501 R505 I506 H507C490-H503 PolarHBondContact SG-NE2 3Å; F494-H503 HydrophobicContact CE1-CB 4.1Å; F494-H503 HydrophobicContact CE2-CB 3.86Å; F494-H503 AromaticContact CE2-CD2 3.29Å; F494-H503 WeakPolarHBondContact CE2-CD2 3.32Å; F494-H503 AromaticContact CE2-CG 3.74Å; F494-H503 HydrophobicContact CZ-CB 3.5Å; F494-H503 VanDerWaalsContact CZ-CB 3.5Å; F494-H503 AromaticContact CZ-CD2 3.42Å; F494-H503 VanDerWaalsContact CZ-CD2 3.42Å; F494-H503 WeakPolarHBondContact CZ-CD2 3.44Å; F494-H503 AromaticContact CZ-CG 3.43Å; F494-H503 VanDerWaalsContact CZ-CG 3.43Å; E499-H503 WeakPolarHBondContact O-CB 2.88Å; E499-H503 PolarHBondContact O-N 3.4Å; L500-H503 CarbonylContact O-C 3.44Å; L500-H503 WeakPolarHBondContact O-CA 3.37Å; L500-H503 WeakPolarHBondContact O-CB 3.35Å; L500-H503 PolarHBondContact O-N 3.44Å; N501-H503 VanDerWaalsContact C-N 3.34Å; H503-R505 PolarHBondContact O-N 3.43Å; H503-I506 WeakPolarHBondContact O-CB 3.44Å; H503-I506 WeakPolarHBondContact O-CG1 3.37Å; H503-I506 PolarHBondContact O-N 2.86Å; H503-H507 AromaticContact CE1-CE1 3.77Å; H503-H507 AromaticContact CE1-NE2 3.25Å; H503-H507 PolarHBondContact CE1-NE2 3.1Å; H503-H507 VanDerWaalsContact CE1-NE2 3.25Å; H503-H507 AromaticContact NE2-CD2 3.96Å; H503-H507 AromaticContact NE2-CE1 3.97Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.34Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å
504L87.1Confident86.9Confident46 Ų4671.4 Ų71.424%0.24137%0.371CS..Hα-helixtrans-58.5-29.9176.6-74.5174.9000112.8L500 I506 H507 T508L500-L504 HydrophobicContact CD1-CD1 4.34Å; L500-L504 HydrophobicContact CD1-CD2 4.44Å; L500-L504 HydrophobicContact CD1-CG 4.03Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.32Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.36Å; L504-I506 PolarHBondContact O-N 3.34Å; L504-H507 PolarHBondContact O-N 3.43Å; L504-H507 VanDerWaalsContact O-N 3.15Å; L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.33Å
505R87.7Confident87.2Confident59 Ų5970.2 Ų70.222%0.22337%0.365CS..Hα-helixtrans-61.9-13.8169.7-75.3-171.5-73.7-158.1-8.5115N501 H503 T508 G509 H510 S523N501-R505 PolarHBondContact O-N 3.18Å; H503-R505 PolarHBondContact O-N 3.43Å; R505-T508 WeakPolarHBondContact CA-OG1 3.2Å; R505-G509 CarbonylContact O-C 3.53Å; R505-G509 WeakPolarHBondContact O-CA 3.49Å; R505-G509 PolarHBondContact O-N 3.06Å; R505-H510 WeakPolarHBondContact CB-O 3.47Å; R505-H510 HydrophobicContact CG-CB 4.21Å; R505-H510 PolarHBondContact O-N 3.37Å; R505-S523 PolarHBondContact NE-O 3.32Å; R505-S523 PolarHBondContact NH1-O 3.18Å
506I85.6Confident87.4Confident110 Ų11077.6 Ų77.656%0.56438%0.375SS*.Hα-helixtrans-79.8-45.5172.1-54.9-179.4000109.6H503 L504 G509H503-I506 WeakPolarHBondContact O-CB 3.44Å; H503-I506 WeakPolarHBondContact O-CG1 3.37Å; H503-I506 PolarHBondContact O-N 2.86Å; L504-I506 PolarHBondContact O-N 3.34Å; I506-G509 PolarHBondContact O-N 2.95Å
507H85.1Confident87.6Confident74 Ų7475.6 Ų75.634%0.34337%0.374SS..Hα-helixtrans-70.5-44179.6-59.3-52.5000112.5C485 V487 C490 H503 L504 G509C485-H507 PolarHBondContact SG-NE2 2.92Å; V487-H507 HydrophobicContact CG2-CB 4.2Å; C490-H507 VanDerWaalsContact SG-CE1 3.58Å; H503-H507 AromaticContact CE1-CE1 3.77Å; H503-H507 AromaticContact CE1-NE2 3.25Å; H503-H507 PolarHBondContact CE1-NE2 3.1Å; H503-H507 VanDerWaalsContact CE1-NE2 3.25Å; H503-H507 AromaticContact NE2-CD2 3.96Å; H503-H507 AromaticContact NE2-CE1 3.97Å; H503-H507 AromaticContact NE2-NE2 3.13Å; H503-H507 PolarHBondContact NE2-NE2 3.34Å; H503-H507 VanDerWaalsContact NE2-NE2 3.13Å; L504-H507 PolarHBondContact O-N 3.43Å; L504-H507 VanDerWaalsContact O-N 3.15Å; H507-G509 PolarHBondContact O-N 3.34Å
508T83Confident87.8Confident100 Ų10075.5 Ų75.561%0.61337%0.372SS*.THydrogen-bonded Turntrans-78.8-3.117755.10000113.6L504 R505 H510L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.33Å; R505-T508 WeakPolarHBondContact CA-OG1 3.2Å; T508-H510 PolarHBondContact O-N 2.85Å
509G84.2Confident88Confident35 Ų3577.9 Ų77.936%0.36139%0.385SS..  trans61.62.1-174.400000115.9R505 I506 H507 K511R505-G509 CarbonylContact O-C 3.53Å; R505-G509 WeakPolarHBondContact O-CA 3.49Å; R505-G509 PolarHBondContact O-N 3.06Å; I506-G509 PolarHBondContact O-N 2.95Å; H507-G509 PolarHBondContact O-N 3.34Å; G509-K511 WeakPolarHBondContact O-CD 3.48Å; G509-K511 WeakPolarHBondContact O-CE 3.44Å; G509-K511 VanDerWaalsContact O-CG 3.29Å; G509-K511 WeakPolarHBondContact O-CG 3.38Å; G509-K511 PolarHBondContact O-N 3.37Å
510H87.2Confident88.1Confident106 Ų10683.3 Ų83.349%0.49140%0.403SS..  trans-67.5119-166.4177.2-136.2000113.1R505 T508 P512R505-H510 WeakPolarHBondContact CB-O 3.47Å; R505-H510 HydrophobicContact CG-CB 4.21Å; R505-H510 PolarHBondContact O-N 3.37Å; T508-H510 PolarHBondContact O-N 2.85Å; H510-P512 WeakPolarHBondContact O-CD 3.22Å
511K88.6Confident88.2Confident114 Ų11486.1 Ų86.150%0.49642%0.418SS..  trans-12576.6-172-68.6149.3-171.2164.70111.6G509 F513 N521 F522G509-K511 WeakPolarHBondContact O-CD 3.48Å; G509-K511 WeakPolarHBondContact O-CE 3.44Å; G509-K511 VanDerWaalsContact O-CG 3.29Å; G509-K511 WeakPolarHBondContact O-CG 3.38Å; G509-K511 PolarHBondContact O-N 3.37Å; K511-F513 PolarHBondContact O-N 2.82Å; K511-N521 HydrophobicContact CB-CB 3.73Å; K511-N521 HydrophobicContact CD-CB 4.41Å; K511-F522 CarbonylContact C-O 3.57Å; K511-F522 VanDerWaalsContact CA-O 3.27Å; K511-F522 WeakPolarHBondContact CA-O 3.04Å
512P85.3Confident88.4Confident63 Ų6383.4 Ų83.441%0.40940%0.402SS..  trans-75.2-0.1-17229.8-36000115.3H510H510-P512 WeakPolarHBondContact O-CD 3.22Å
513F89.3Confident88.4Confident63 Ų6381.4 Ų81.428%0.27640%0.4SS..EExtended strand (participates in β ladder)trans-110.896-176.1-58.9-74.5000111.1K511 F522 R524 S525 L528K511-F513 PolarHBondContact O-N 2.82Å; F513-F522 HydrophobicContact CB-CB 4.29Å; F513-F522 WeakPolarHBondContact CB-O 3.36Å; F513-F522 PolarHBondContact N-O 3.16Å; F513-F522 VanDerWaalsContact N-O 3.09Å; F513-F522 PolarHBondContact O-N 3.21Å; F513-R524 VanDerWaalsContact CD2-CA 3.49Å; F513-S525 VanDerWaalsContact CD2-N 3.31Å; F513-S525 VanDerWaalsContact CE2-N 3.35Å; F513-L528 HydrophobicContact CB-CB 4.14Å; F513-L528 HydrophobicContact CB-CD2 3.86Å
514Q91.9Very high88.4Confident97 Ų9784.4 Ų84.445%0.45341%0.411SS..EExtended strand (participates in β ladder)trans-85139.1178.7-166.6165.240.500112.6L519 N521 L528Q514-L519 WeakPolarHBondContact CG-O 3.49Å; Q514-L519 PolarHBondContact NE2-O 3.24Å; Q514-N521 WeakPolarHBondContact CA-OD1 3.25Å; Q514-N521 WeakPolarHBondContact CB-OD1 3.4Å; Q514-N521 WeakPolarHBondContact CG-OD1 3.46Å; Q514-L528 WeakPolarHBondContact O-CD2 3.42Å
515C93.3Very high88.5Confident0 Ų085.2 Ų85.20%042%0.42CS..  trans-79.8120168.2-173.60000110.8I517 L519 R520 F522 L528 H531C515-I517 PolarHBondContact O-N 3.11Å; C515-L519 WeakPolarHBondContact O-CA 3.35Å; C515-L519 PolarHBondContact O-N 2.96Å; C515-R520 PolarHBondContact N-O 3.3Å; C515-F522 HydrophobicContact CB-CE2 4.2Å; C515-L528 HydrophobicContact CB-CD1 3.67Å; C515-H531 VanDerWaalsContact SG-CD2 3.6Å
516R90.3Very high88.5Confident242 Ų24285.4 Ų85.491%0.91343%0.425SS*.THydrogen-bonded Turntrans-64.8-20.7-179.9-67.5-176.1178177.9-2.1114.2
517I90.4Very high88.6Confident101 Ų10182.9 Ų82.952%0.51841%0.411SS..THydrogen-bonded Turntrans-88.1-36.8-173.9-58171.2000112.1C515 V532 H535C515-I517 PolarHBondContact O-N 3.11Å; I517-V532 HydrophobicContact CD1-CG1 4.48Å; I517-H535 HydrophobicContact CD1-CB 3.55Å; I517-H535 HydrophobicContact CG2-CB 4.15Å
518C91.1Very high89Confident58 Ų5880.8 Ų80.839%0.39240%0.402SS..THydrogen-bonded Turntrans-131.214.2-177680000114R520 H531 H535C518-R520 PolarHBondContact O-N 3.29Å; C518-H531 PolarHBondContact SG-NE2 2.98Å; C518-H535 PolarHBondContact SG-NE2 2.95Å; C518-H535 VanDerWaalsContact SG-NE2 3.43Å
519L90.1Very high89.3Confident114 Ų11479.8 Ų79.860%0.59740%0.396SS*.  trans54.79.3178.5-56-178.4000116.2Q514 C515Q514-L519 WeakPolarHBondContact CG-O 3.49Å; Q514-L519 PolarHBondContact NE2-O 3.24Å; C515-L519 WeakPolarHBondContact O-CA 3.35Å; C515-L519 PolarHBondContact O-N 2.96Å
520R89.8Confident89.5Confident168 Ų16879.5 Ų79.563%0.63439%0.388SS*.  trans-71.8131.3-178.3-168172.9-169.3165.56.8111.7C515 C518 F522C515-R520 PolarHBondContact N-O 3.3Å; C518-R520 PolarHBondContact O-N 3.29Å; R520-F522 HydrophobicContact CB-CE2 3.99Å; R520-F522 HydrophobicContact CB-CZ 4.43Å; R520-F522 HydrophobicContact CG-CE2 3.99Å; R520-F522 HydrophobicContact CG-CZ 4.07Å; R520-F522 VanDerWaalsContact O-CD2 3.29Å; R520-F522 WeakPolarHBondContact O-CD2 3.42Å; R520-F522 VanDerWaalsContact O-CE2 3.29Å; R520-F522 WeakPolarHBondContact O-CE2 3.47Å
521N91.5Very high89.6Confident77 Ų7775.9 Ų75.941%0.41237%0.371SS..EExtended strand (participates in β ladder)trans-94.9133.1-175.7-69.7-42000113.2K511 Q514K511-N521 HydrophobicContact CB-CB 3.73Å; K511-N521 HydrophobicContact CD-CB 4.41Å; Q514-N521 WeakPolarHBondContact CA-OD1 3.25Å; Q514-N521 WeakPolarHBondContact CB-OD1 3.4Å; Q514-N521 WeakPolarHBondContact CG-OD1 3.46Å
522F89.4Confident89.7Confident37 Ų3772.9 Ų72.916%0.16236%0.362CS..EExtended strand (participates in β ladder)trans-119.8147.2-178.8-63.7-94.1000111.9K511 F513 C515 R520 R524 H527 L528 H531K511-F522 CarbonylContact C-O 3.57Å; K511-F522 VanDerWaalsContact CA-O 3.27Å; K511-F522 WeakPolarHBondContact CA-O 3.04Å; F513-F522 HydrophobicContact CB-CB 4.29Å; F513-F522 WeakPolarHBondContact CB-O 3.36Å; F513-F522 PolarHBondContact N-O 3.16Å; F513-F522 VanDerWaalsContact N-O 3.09Å; F513-F522 PolarHBondContact O-N 3.21Å; C515-F522 HydrophobicContact CB-CE2 4.2Å; R520-F522 HydrophobicContact CB-CE2 3.99Å; R520-F522 HydrophobicContact CB-CZ 4.43Å; R520-F522 HydrophobicContact CG-CE2 3.99Å; R520-F522 HydrophobicContact CG-CZ 4.07Å; R520-F522 VanDerWaalsContact O-CD2 3.29Å; R520-F522 WeakPolarHBondContact O-CD2 3.42Å; R520-F522 VanDerWaalsContact O-CE2 3.29Å; R520-F522 WeakPolarHBondContact O-CE2 3.47Å; F522-R524 VanDerWaalsContact C-N 3.31Å; F522-R524 PolarHBondContact O-N 2.95Å; F522-H527 HydrophobicContact CD1-CB 4.14Å; F522-L528 HydrophobicContact CB-CB 4.35Å; F522-L528 HydrophobicContact CD2-CB 4.27Å; F522-L528 HydrophobicContact CD2-CD1 4.16Å; F522-L528 HydrophobicContact CE2-CD1 4.42Å; F522-L528 HydrophobicContact CG-CB 4.39Å; F522-H531 HydrophobicContact CE1-CB 4.12Å; F522-H531 HydrophobicContact CE2-CB 4.26Å; F522-H531 AromaticContact CE2-CD2 3.29Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.31Å; F522-H531 AromaticContact CE2-CG 3.93Å; F522-H531 HydrophobicContact CZ-CB 3.72Å; F522-H531 AromaticContact CZ-CD2 3.23Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.39Å; F522-H531 AromaticContact CZ-CG 3.42Å; F522-H531 VanDerWaalsContact CZ-CG 3.42Å; F522-H531 AromaticContact CZ-NE2 3.95Å
523S87.9Confident89.9Confident36 Ų3672.7 Ų72.725%0.25235%0.353SS..SBendtrans-80.4-8.2177.556.70000114.1R505R505-S523 PolarHBondContact NE-O 3.32Å; R505-S523 PolarHBondContact NH1-O 3.18Å
524R87.6Confident89.8Confident73 Ų7374.1 Ų74.128%0.27537%0.367SS..  trans-145.1141.3-177.5-64.8169.352.7161.4-5.8112.1R502 F513 F522 D526 H527 L528R502-R524 HydrophobicContact CG-CG 4.31Å; F513-R524 VanDerWaalsContact CD2-CA 3.49Å; F522-R524 VanDerWaalsContact C-N 3.31Å; F522-R524 PolarHBondContact O-N 2.95Å; R524-D526 WeakPolarHBondContact CB-OD1 3.46Å; R524-D526 IonicContact CZ-OD1 3.22Å; R524-D526 VanDerWaalsContact CZ-OD1 3.3Å; R524-D526 IonicContact CZ-OD2 2.76Å; R524-D526 IonicContact NE-OD1 2.9Å; R524-D526 PolarHBondContact NE-OD1 3.41Å; R524-D526 IonicContact NE-OD2 2.73Å; R524-D526 IonicContact NH2-OD1 3.64Å; R524-D526 PolarHBondContact NH2-OD1 2.84Å; R524-D526 IonicContact NH2-OD2 3.73Å; R524-D526 PolarHBondContact NH2-OD2 2.84Å; R524-H527 HydrophobicContact CB-CB 4.31Å; R524-H527 PolarHBondContact NE-CE1 2.82Å; R524-H527 PolarHBondContact O-N 3.12Å; R524-L528 PolarHBondContact O-N 3.21Å
525S88.6Confident89.5Confident63 Ų6373.1 Ų73.144%0.44136%0.362SS..Hα-helixtrans-63.1-42.2177.646.60000112.7F513 H527 L528 T529F513-S525 VanDerWaalsContact CD2-N 3.31Å; F513-S525 VanDerWaalsContact CE2-N 3.35Å; S525-H527 PolarHBondContact O-N 3.03Å; S525-L528 WeakPolarHBondContact O-CB 3.49Å; S525-L528 PolarHBondContact O-N 3.48Å; S525-L528 VanDerWaalsContact O-N 3.12Å; S525-T529 PolarHBondContact O-N 2.88Å; S525-T529 PolarHBondContact O-OG1 3.23Å; S525-T529 VanDerWaalsContact O-OG1 3.1Å
526D87.8Confident89.2Confident62 Ų6276.5 Ų76.533%0.33238%0.383SS..Hα-helixtrans-62.4-33.1178.468.7-71.1000112.3R524 T530R524-D526 WeakPolarHBondContact CB-OD1 3.46Å; R524-D526 IonicContact CZ-OD1 3.22Å; R524-D526 VanDerWaalsContact CZ-OD1 3.3Å; R524-D526 IonicContact CZ-OD2 2.76Å; R524-D526 IonicContact NE-OD1 2.9Å; R524-D526 PolarHBondContact NE-OD1 3.41Å; R524-D526 IonicContact NE-OD2 2.73Å; R524-D526 IonicContact NH2-OD1 3.64Å; R524-D526 PolarHBondContact NH2-OD1 2.84Å; R524-D526 IonicContact NH2-OD2 3.73Å; R524-D526 PolarHBondContact NH2-OD2 2.84Å; D526-T530 WeakPolarHBondContact O-CG2 3.44Å; D526-T530 PolarHBondContact O-N 3.09Å; D526-T530 PolarHBondContact O-OG1 3.22Å
527H89.3Confident89Confident58 Ų5867 Ų6727%0.26936%0.361SS..Hα-helixtrans-70.1-43.1175.1-65.15.1000111.1F522 R524 S525 T530 H531F522-H527 HydrophobicContact CD1-CB 4.14Å; R524-H527 HydrophobicContact CB-CB 4.31Å; R524-H527 PolarHBondContact NE-CE1 2.82Å; R524-H527 PolarHBondContact O-N 3.12Å; S525-H527 PolarHBondContact O-N 3.03Å; H527-T530 PolarHBondContact O-N 3.02Å; H527-T530 PolarHBondContact O-OG1 2.88Å; H527-H531 WeakPolarHBondContact O-CB 3.2Å; H527-H531 PolarHBondContact O-N 2.96Å
528L91.9Very high88.8Confident30 Ų3066.7 Ų66.716%0.15736%0.357CS..Hα-helixtrans-57.4-49.3171170.160.4000111.4F513 Q514 C515 F522 R524 S525 T530 H531 V532F513-L528 HydrophobicContact CB-CB 4.14Å; F513-L528 HydrophobicContact CB-CD2 3.86Å; Q514-L528 WeakPolarHBondContact O-CD2 3.42Å; C515-L528 HydrophobicContact CB-CD1 3.67Å; F522-L528 HydrophobicContact CB-CB 4.35Å; F522-L528 HydrophobicContact CD2-CB 4.27Å; F522-L528 HydrophobicContact CD2-CD1 4.16Å; F522-L528 HydrophobicContact CE2-CD1 4.42Å; F522-L528 HydrophobicContact CG-CB 4.39Å; R524-L528 PolarHBondContact O-N 3.21Å; S525-L528 WeakPolarHBondContact O-CB 3.49Å; S525-L528 PolarHBondContact O-N 3.48Å; S525-L528 VanDerWaalsContact O-N 3.12Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 2.79Å; L528-H531 CarbonylContact O-C 3.39Å; L528-H531 WeakPolarHBondContact O-CA 3.44Å; L528-H531 WeakPolarHBondContact O-CB 3.46Å; L528-H531 PolarHBondContact O-N 3.28Å; L528-V532 HydrophobicContact CD1-CG2 3.93Å; L528-V532 HydrophobicContact CG-CG2 4.45Å; L528-V532 PolarHBondContact O-N 3.3Å
529T89.9Confident88.6Confident78 Ų7869.6 Ų69.648%0.47936%0.363SS..Hα-helixtrans-58.6-43.2178.3-520000111.8S525 H531 V532S525-T529 PolarHBondContact O-N 2.88Å; S525-T529 PolarHBondContact O-OG1 3.23Å; S525-T529 VanDerWaalsContact O-OG1 3.1Å; T529-H531 PolarHBondContact O-N 2.78Å; T529-V532 PolarHBondContact O-N 2.96Å
530T88.7Confident88.5Confident30 Ų3067.2 Ų67.218%0.18435%0.354CS..Hα-helixtrans-69.2-20175.659.90000113.8D526 H527 L528 R552D526-T530 WeakPolarHBondContact O-CG2 3.44Å; D526-T530 PolarHBondContact O-N 3.09Å; D526-T530 PolarHBondContact O-OG1 3.22Å; H527-T530 PolarHBondContact O-N 3.02Å; H527-T530 PolarHBondContact O-OG1 2.88Å; L528-T530 VanDerWaalsContact C-N 3.33Å; L528-T530 PolarHBondContact O-N 2.79Å; T530-R552 HydrophobicContact CG2-CG 3.7Å; T530-R552 PolarHBondContact OG1-NH1 2.85Å; T530-R552 VanDerWaalsContact OG1-NH1 3.15Å
531H89.9Confident88.4Confident30 Ų3062.4 Ų62.414%0.13934%0.338CS..Hα-helixtrans-86.4-34.2174.5172.950.4000113.1C515 C518 F522 H527 L528 T529 R533 T534 H535C515-H531 VanDerWaalsContact SG-CD2 3.6Å; C518-H531 PolarHBondContact SG-NE2 2.98Å; F522-H531 HydrophobicContact CE1-CB 4.12Å; F522-H531 HydrophobicContact CE2-CB 4.26Å; F522-H531 AromaticContact CE2-CD2 3.29Å; F522-H531 WeakPolarHBondContact CE2-CD2 3.31Å; F522-H531 AromaticContact CE2-CG 3.93Å; F522-H531 HydrophobicContact CZ-CB 3.72Å; F522-H531 AromaticContact CZ-CD2 3.23Å; F522-H531 WeakPolarHBondContact CZ-CD2 3.39Å; F522-H531 AromaticContact CZ-CG 3.42Å; F522-H531 VanDerWaalsContact CZ-CG 3.42Å; F522-H531 AromaticContact CZ-NE2 3.95Å; H527-H531 WeakPolarHBondContact O-CB 3.2Å; H527-H531 PolarHBondContact O-N 2.96Å; L528-H531 CarbonylContact O-C 3.39Å; L528-H531 WeakPolarHBondContact O-CA 3.44Å; L528-H531 WeakPolarHBondContact O-CB 3.46Å; L528-H531 PolarHBondContact O-N 3.28Å; T529-H531 PolarHBondContact O-N 2.78Å; H531-R533 PolarHBondContact O-N 2.9Å; H531-T534 PolarHBondContact CE1-OG1 3.08Å; H531-T534 PolarHBondContact ND1-OG1 3.43Å; H531-T534 PolarHBondContact O-N 3.16Å; H531-T534 PolarHBondContact O-OG1 3.15Å; H531-H535 AromaticContact CE1-CD2 3.87Å; H531-H535 AromaticContact CE1-CE1 3.93Å; H531-H535 AromaticContact CE1-NE2 3.15Å; H531-H535 PolarHBondContact CE1-NE2 2.99Å; H531-H535 AromaticContact NE2-CD2 3.87Å; H531-H535 AromaticContact NE2-NE2 3.1Å; H531-H535 PolarHBondContact NE2-NE2 3.15Å; H531-H535 VanDerWaalsContact NE2-NE2 3.1Å
532V89.3Confident88.4Confident50 Ų5060.4 Ų60.430%0.30333%0.332SS..Hα-helixtrans-57.2-36.2172.8173.40000110.5I517 L528 T529 T534 H535 T536I517-V532 HydrophobicContact CD1-CG1 4.48Å; L528-V532 HydrophobicContact CD1-CG2 3.93Å; L528-V532 HydrophobicContact CG-CG2 4.45Å; L528-V532 PolarHBondContact O-N 3.3Å; T529-V532 PolarHBondContact O-N 2.96Å; V532-T534 PolarHBondContact O-N 2.76Å; V532-H535 WeakPolarHBondContact O-CB 3.3Å; V532-H535 PolarHBondContact O-N 3.47Å; V532-T536 HydrophobicContact CG1-CG2 4.38Å; V532-T536 PolarHBondContact O-N 2.84Å; V532-T536 VanDerWaalsContact O-N 3.07Å
533R90.3Very high88.6Confident59 Ų5958.8 Ų58.822%0.22333%0.325CS..Hα-helixtrans-62.5-18.2172-65.7-169.5176144.56.5115.8H531 H535 G537 E538 A551H531-R533 PolarHBondContact O-N 2.9Å; R533-H535 VanDerWaalsContact C-N 3.28Å; R533-G537 CarbonylContact O-C 3.6Å; R533-G537 WeakPolarHBondContact O-CA 3.44Å; R533-G537 PolarHBondContact O-N 2.83Å; R533-G537 VanDerWaalsContact O-N 3.09Å; R533-E538 HydrophobicContact CB-CB 4.18Å; R533-E538 HydrophobicContact CG-CB 3.88Å; R533-E538 IonicContact NE-OE2 3.5Å; R533-E538 PolarHBondContact O-N 2.67Å; R533-A551 HydrophobicContact CB-CB 4.37Å; R533-A551 PolarHBondContact NH1-O 3.1Å; R533-A551 VanDerWaalsContact NH1-O 3.1Å
534T86.7Confident88.7Confident93 Ų9363.3 Ų63.357%0.57135%0.347SS*.Hα-helixtrans-78.4-16.4171.669.70000112.3H531 V532H531-T534 PolarHBondContact CE1-OG1 3.08Å; H531-T534 PolarHBondContact ND1-OG1 3.43Å; H531-T534 PolarHBondContact O-N 3.16Å; H531-T534 PolarHBondContact O-OG1 3.15Å; V532-T534 PolarHBondContact O-N 2.76Å
535H86.6Confident88.7Confident76 Ų7664.8 Ų64.835%0.35236%0.363SS..Hα-helixtrans-93.2-42.3172.8-60.5-70.5000111.9I517 C518 H531 V532 R533 G537I517-H535 HydrophobicContact CD1-CB 3.55Å; I517-H535 HydrophobicContact CG2-CB 4.15Å; C518-H535 PolarHBondContact SG-NE2 2.95Å; C518-H535 VanDerWaalsContact SG-NE2 3.43Å; H531-H535 AromaticContact CE1-CD2 3.87Å; H531-H535 AromaticContact CE1-CE1 3.93Å; H531-H535 AromaticContact CE1-NE2 3.15Å; H531-H535 PolarHBondContact CE1-NE2 2.99Å; H531-H535 AromaticContact NE2-CD2 3.87Å; H531-H535 AromaticContact NE2-NE2 3.1Å; H531-H535 PolarHBondContact NE2-NE2 3.15Å; H531-H535 VanDerWaalsContact NE2-NE2 3.1Å; V532-H535 WeakPolarHBondContact O-CB 3.3Å; V532-H535 PolarHBondContact O-N 3.47Å; R533-H535 VanDerWaalsContact C-N 3.28Å; H535-G537 VanDerWaalsContact C-N 3.28Å; H535-G537 PolarHBondContact O-N 3.48Å
536T86Confident88.8Confident72 Ų7263.8 Ų63.844%0.44236%0.356SS..Hα-helixtrans-80-6.4177.462.80000113.9V532 E538V532-T536 HydrophobicContact CG1-CG2 4.38Å; V532-T536 PolarHBondContact O-N 2.84Å; V532-T536 VanDerWaalsContact O-N 3.07Å; T536-E538 WeakPolarHBondContact CB-OE1 3.4Å; T536-E538 PolarHBondContact O-N 3.12Å; T536-E538 VanDerWaalsContact O-N 3.1Å; T536-E538 VanDerWaalsContact OG1-CD 3.27Å; T536-E538 WeakPolarHBondContact OG1-CG 3.44Å; T536-E538 PolarHBondContact OG1-OE1 2.7Å
537G85.3Confident88.8Confident43 Ų4363.2 Ų63.244%0.44337%0.365SS..  trans70.5-2.4-177.900000115.2R533 H535 K539R533-G537 CarbonylContact O-C 3.6Å; R533-G537 WeakPolarHBondContact O-CA 3.44Å; R533-G537 PolarHBondContact O-N 2.83Å; R533-G537 VanDerWaalsContact O-N 3.09Å; H535-G537 VanDerWaalsContact C-N 3.28Å; H535-G537 PolarHBondContact O-N 3.48Å; G537-K539 WeakPolarHBondContact O-CG 3.42Å; G537-K539 PolarHBondContact O-N 2.88Å
538E87.2Confident88.9Confident93 Ų9368.1 Ų68.144%0.43538%0.381SS..  trans-55.1116.2-174.9-82.7169.2-117.800113.6R533 T536 P540R533-E538 HydrophobicContact CB-CB 4.18Å; R533-E538 HydrophobicContact CG-CB 3.88Å; R533-E538 IonicContact NE-OE2 3.5Å; R533-E538 PolarHBondContact O-N 2.67Å; T536-E538 WeakPolarHBondContact CB-OE1 3.4Å; T536-E538 PolarHBondContact O-N 3.12Å; T536-E538 VanDerWaalsContact O-N 3.1Å; T536-E538 VanDerWaalsContact OG1-CD 3.27Å; T536-E538 WeakPolarHBondContact OG1-CG 3.44Å; T536-E538 PolarHBondContact OG1-OE1 2.7Å; E538-P540 VanDerWaalsContact C-CD 3.49Å; E538-P540 VanDerWaalsContact O-CD 3.32Å; E538-P540 WeakPolarHBondContact O-CD 3.43Å
539K87.6Confident88.8Confident120 Ų12074.5 Ų74.552%0.52240%0.403SS..  trans-120.477174.9-67.1157.1-170.3168.40109.9G537 F541 R549 F550G537-K539 WeakPolarHBondContact O-CG 3.42Å; G537-K539 PolarHBondContact O-N 2.88Å; K539-F541 VanDerWaalsContact C-N 3.3Å; K539-F541 PolarHBondContact O-N 2.76Å; K539-R549 HydrophobicContact CB-CB 3.5Å; K539-R549 VanDerWaalsContact CB-CB 3.5Å; K539-R549 WeakPolarHBondContact O-CB 3.41Å; K539-R549 PolarHBondContact O-NE 3.27Å; K539-F550 CarbonylContact C-O 3.58Å; K539-F550 WeakPolarHBondContact CA-O 3.28Å
540P86.8Confident88.8Confident64 Ų6472.9 Ų72.942%0.41639%0.389SS..  trans-72-20.1-175.727.8-34.4000113.5E538 A542E538-P540 VanDerWaalsContact C-CD 3.49Å; E538-P540 VanDerWaalsContact O-CD 3.32Å; E538-P540 WeakPolarHBondContact O-CD 3.43Å; P540-A542 PolarHBondContact O-N 2.73Å
541F89.3Confident88.7Confident67 Ų6772.3 Ų72.329%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-96.983.8-175.5-55.3-70.3000111.8K539 F550 A551 K556K539-F541 VanDerWaalsContact C-N 3.3Å; K539-F541 PolarHBondContact O-N 2.76Å; F541-F550 HydrophobicContact CB-CB 4.36Å; F541-F550 PolarHBondContact N-O 2.81Å; F541-F550 VanDerWaalsContact N-O 3.12Å; F541-F550 PolarHBondContact O-N 3.45Å; F541-A551 WeakPolarHBondContact CE2-O 3.32Å; F541-K556 HydrophobicContact CB-CB 4.17Å; F541-K556 HydrophobicContact CB-CD 4.29Å
542A90.4Very high88.6Confident35 Ų3573.8 Ų73.829%0.28939%0.392SS..EExtended strand (participates in β ladder)trans-66.2143.3168.700000111.6P540 R548 R549 K556P540-A542 PolarHBondContact O-N 2.73Å; A542-R548 CarbonylContact C-O 3.6Å; A542-R549 HydrophobicContact CB-CG 4.19Å; A542-K556 VanDerWaalsContact O-CD 3.23Å; A542-K556 WeakPolarHBondContact O-CD 3.36Å; A542-K556 WeakPolarHBondContact O-CE 3.43Å; A542-K556 PolarHBondContact O-NZ 3.28Å
543C93.3Very high88.6Confident2 Ų274 Ų741%0.01440%0.396CS..  trans-90.8127.9172.6-173.60000110.9V545 C546 G547 R548 F550C543-V545 PolarHBondContact O-N 3.18Å; C543-V545 VanDerWaalsContact O-N 3.14Å; C543-C546 PolarHBondContact O-N 3.09Å; C543-G547 WeakPolarHBondContact O-CA 3.46Å; C543-G547 PolarHBondContact O-N 3.19Å; C543-R548 WeakPolarHBondContact CB-O 3.41Å; C543-R548 PolarHBondContact N-O 3.06Å; C543-F550 HydrophobicContact CB-CE2 4.09Å
544D89.9Confident88.6Confident132 Ų13275 Ų7571%0.70641%0.405SS*.THydrogen-bonded Turntrans-73.9-10.7-164-33-79.4000113.4K556D544-K556 IonicContact OD1-NZ 2.67Å; D544-K556 PolarHBondContact OD1-NZ 3.11Å; D544-K556 WeakPolarHBondContact OD2-CE 3.43Å; D544-K556 IonicContact OD2-NZ 2.81Å; D544-K556 PolarHBondContact OD2-NZ 2.71Å
545V88.6Confident88.7Confident103 Ų10373.1 Ų73.162%0.62439%0.39SS*.THydrogen-bonded Turntrans-102.7-16.6-178.5-177.50000112.5C543 H563C543-V545 PolarHBondContact O-N 3.18Å; C543-V545 VanDerWaalsContact O-N 3.14Å; V545-H563 HydrophobicContact CB-CB 4.36Å; V545-H563 HydrophobicContact CG1-CB 4.04Å; V545-H563 HydrophobicContact CG2-CB 4.39Å
546C91.1Very high89.1Confident42 Ų4271.8 Ų71.828%0.28438%0.383SS..THydrogen-bonded Turntrans-151.39.1-16870.90000115.3C543 R548 H559 H563C543-C546 PolarHBondContact O-N 3.09Å; C546-R548 PolarHBondContact O-N 3.39Å; C546-H559 PolarHBondContact SG-NE2 3.28Å; C546-H563 WeakPolarHBondContact CB-NE2 3.44Å
547G87.3Confident89.4Confident51 Ų5175 Ų7553%0.52639%0.391SS..  trans67.8-22.4-178.500000116.2C543 R549C543-G547 WeakPolarHBondContact O-CA 3.46Å; C543-G547 PolarHBondContact O-N 3.19Å; G547-R549 VanDerWaalsContact O-CG 3.29Å; G547-R549 WeakPolarHBondContact O-CG 3.47Å; G547-R549 PolarHBondContact O-N 3.49Å
548R89.9Confident89.7Confident160 Ų16081.5 Ų81.560%0.60440%0.402SS*.  trans-53.3124.7-171.4-64.6-173.6-169-152.41.5111.8A542 C543 C546 F550A542-R548 CarbonylContact C-O 3.6Å; C543-R548 WeakPolarHBondContact CB-O 3.41Å; C543-R548 PolarHBondContact N-O 3.06Å; C546-R548 PolarHBondContact O-N 3.39Å; R548-F550 HydrophobicContact CB-CE2 3.95Å; R548-F550 HydrophobicContact CB-CZ 4.11Å; R548-F550 WeakPolarHBondContact O-CD2 3.11Å; R548-F550 WeakPolarHBondContact O-CE2 3.23Å
549R91.3Very high89.9Confident165 Ų16578.4 Ų78.462%0.62339%0.388SS*.EExtended strand (participates in β ladder)trans-99.5135-173.3-48.3-178.184.1126.80.9111.4K539 A542 G547K539-R549 HydrophobicContact CB-CB 3.5Å; K539-R549 VanDerWaalsContact CB-CB 3.5Å; K539-R549 WeakPolarHBondContact O-CB 3.41Å; K539-R549 PolarHBondContact O-NE 3.27Å; A542-R549 HydrophobicContact CB-CG 4.19Å; G547-R549 VanDerWaalsContact O-CG 3.29Å; G547-R549 WeakPolarHBondContact O-CG 3.47Å; G547-R549 PolarHBondContact O-N 3.49Å
550F88.9Confident90.1Very high43 Ų4374.3 Ų74.319%0.18938%0.375CS..EExtended strand (participates in β ladder)trans-119.6150.6-177.3-61.3-85.2000111.9K539 F541 C543 R548 R552 E555 K556 H559K539-F550 CarbonylContact C-O 3.58Å; K539-F550 WeakPolarHBondContact CA-O 3.28Å; F541-F550 HydrophobicContact CB-CB 4.36Å; F541-F550 PolarHBondContact N-O 2.81Å; F541-F550 VanDerWaalsContact N-O 3.12Å; F541-F550 PolarHBondContact O-N 3.45Å; C543-F550 HydrophobicContact CB-CE2 4.09Å; R548-F550 HydrophobicContact CB-CE2 3.95Å; R548-F550 HydrophobicContact CB-CZ 4.11Å; R548-F550 WeakPolarHBondContact O-CD2 3.11Å; R548-F550 WeakPolarHBondContact O-CE2 3.23Å; F550-R552 VanDerWaalsContact C-N 3.33Å; F550-E555 HydrophobicContact CB-CB 3.95Å; F550-E555 HydrophobicContact CD1-CB 3.75Å; F550-E555 HydrophobicContact CG-CB 4.04Å; F550-K556 HydrophobicContact CD2-CB 4.17Å; F550-H559 HydrophobicContact CE1-CB 4.25Å; F550-H559 HydrophobicContact CE2-CB 3.94Å; F550-H559 AromaticContact CE2-CD2 3.54Å; F550-H559 AromaticContact CE2-CG 3.9Å; F550-H559 HydrophobicContact CZ-CB 3.59Å; F550-H559 AromaticContact CZ-CD2 3.44Å; F550-H559 VanDerWaalsContact CZ-CD2 3.44Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H559 AromaticContact CZ-CG 3.45Å; F550-H559 VanDerWaalsContact CZ-CG 3.45Å
551A87.6Confident90.4Very high18 Ų1877.8 Ų77.815%0.14938%0.383CS..SBendtrans-75-25.8176.400000111.9R533 F541 E555R533-A551 HydrophobicContact CB-CB 4.37Å; R533-A551 PolarHBondContact NH1-O 3.1Å; R533-A551 VanDerWaalsContact NH1-O 3.1Å; F541-A551 WeakPolarHBondContact CE2-O 3.32Å; A551-E555 PolarHBondContact N-OE2 2.92Å
552R87.5Confident90.6Very high62 Ų6277.7 Ų77.723%0.23439%0.388CS..SBendtrans-127.2151.8-177.7-46.2174.842.1128.9-16.7113.6T530 F550 D554 E555 K556T530-R552 HydrophobicContact CG2-CG 3.7Å; T530-R552 PolarHBondContact OG1-NH1 2.85Å; T530-R552 VanDerWaalsContact OG1-NH1 3.15Å; F550-R552 VanDerWaalsContact C-N 3.33Å; R552-D554 WeakPolarHBondContact CB-OD1 3.29Å; R552-D554 IonicContact CZ-OD1 3.52Å; R552-D554 IonicContact CZ-OD2 3.48Å; R552-D554 IonicContact NE-OD1 3.57Å; R552-D554 PolarHBondContact NE-OD1 2.87Å; R552-D554 IonicContact NE-OD2 2.96Å; R552-D554 IonicContact NH2-OD1 3.3Å; R552-D554 PolarHBondContact NH2-OD1 2.69Å; R552-D554 IonicContact NH2-OD2 2.78Å; R552-D554 PolarHBondContact NH2-OD2 3.05Å; R552-E555 HydrophobicContact CB-CB 4.43Å; R552-E555 HydrophobicContact CB-CG 3.97Å; R552-E555 WeakPolarHBondContact CB-OE2 3.48Å; R552-E555 WeakPolarHBondContact CD-OE1 3.15Å; R552-E555 HydrophobicContact CG-CG 4.47Å; R552-E555 PolarHBondContact N-OE2 2.85Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 2.98Å; R552-K556 PolarHBondContact O-N 3.11Å
553S89.4Confident90.6Very high54 Ų5478 Ų7838%0.37838%0.383SS..Hα-helixtrans-79.5-24.1-178.1630000113.6E555 K557S553-E555 VanDerWaalsContact C-N 3.34Å; S553-K557 WeakPolarHBondContact O-CB 3.4Å; S553-K557 VanDerWaalsContact O-CG 3.25Å; S553-K557 WeakPolarHBondContact O-CG 3.17Å; S553-K557 PolarHBondContact O-N 2.89Å
554D89.9Confident90.4Very high79 Ų7983.4 Ų83.442%0.42241%0.412SS..Hα-helixtrans-72.1-28170.758.6-30.4000112.2R552 R558R552-D554 WeakPolarHBondContact CB-OD1 3.29Å; R552-D554 IonicContact CZ-OD1 3.52Å; R552-D554 IonicContact CZ-OD2 3.48Å; R552-D554 IonicContact NE-OD1 3.57Å; R552-D554 PolarHBondContact NE-OD1 2.87Å; R552-D554 IonicContact NE-OD2 2.96Å; R552-D554 IonicContact NH2-OD1 3.3Å; R552-D554 PolarHBondContact NH2-OD1 2.69Å; R552-D554 IonicContact NH2-OD2 2.78Å; R552-D554 PolarHBondContact NH2-OD2 3.05Å; D554-R558 VanDerWaalsContact O-CB 3.28Å; D554-R558 WeakPolarHBondContact O-CB 3.29Å; D554-R558 PolarHBondContact O-N 3.41Å
555E89.4Confident90.5Very high55 Ų5584.8 Ų84.826%0.25741%0.411SS..Hα-helixtrans-67.7-51.1169.3-64.4165.6163.200111.2F550 A551 R552 S553 K557 R558 H559F550-E555 HydrophobicContact CB-CB 3.95Å; F550-E555 HydrophobicContact CD1-CB 3.75Å; F550-E555 HydrophobicContact CG-CB 4.04Å; A551-E555 PolarHBondContact N-OE2 2.92Å; R552-E555 HydrophobicContact CB-CB 4.43Å; R552-E555 HydrophobicContact CB-CG 3.97Å; R552-E555 WeakPolarHBondContact CB-OE2 3.48Å; R552-E555 WeakPolarHBondContact CD-OE1 3.15Å; R552-E555 HydrophobicContact CG-CG 4.47Å; R552-E555 PolarHBondContact N-OE2 2.85Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 2.98Å; S553-E555 VanDerWaalsContact C-N 3.34Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.42Å; E555-R558 PolarHBondContact O-N 3.31Å; E555-H559 WeakPolarHBondContact O-CB 3.27Å; E555-H559 PolarHBondContact O-N 2.85Å
556K94.1Very high90.5Very high47 Ų4784.8 Ų84.820%0.20440%0.404CS..Hα-helixtrans-52-49.1171.5176.4179175.6162.10111.3F541 A542 D544 F550 R552 R558 H559 S560F541-K556 HydrophobicContact CB-CB 4.17Å; F541-K556 HydrophobicContact CB-CD 4.29Å; A542-K556 VanDerWaalsContact O-CD 3.23Å; A542-K556 WeakPolarHBondContact O-CD 3.36Å; A542-K556 WeakPolarHBondContact O-CE 3.43Å; A542-K556 PolarHBondContact O-NZ 3.28Å; D544-K556 IonicContact OD1-NZ 2.67Å; D544-K556 PolarHBondContact OD1-NZ 3.11Å; D544-K556 WeakPolarHBondContact OD2-CE 3.43Å; D544-K556 IonicContact OD2-NZ 2.81Å; D544-K556 PolarHBondContact OD2-NZ 2.71Å; F550-K556 HydrophobicContact CD2-CB 4.17Å; R552-K556 PolarHBondContact O-N 3.11Å; K556-R558 VanDerWaalsContact C-N 3.28Å; K556-R558 PolarHBondContact O-N 2.85Å; K556-H559 PolarHBondContact O-N 3.35Å; K556-S560 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-OG 2.85Å
557K91.8Very high90.5Very high139 Ų13987.5 Ų87.560%0.60441%0.411SS*.Hα-helixtrans-67-22.4179.5-73.4172.5179.7-179.10114.3S553 E555 K561S553-K557 WeakPolarHBondContact O-CB 3.4Å; S553-K557 VanDerWaalsContact O-CG 3.25Å; S553-K557 WeakPolarHBondContact O-CG 3.17Å; S553-K557 PolarHBondContact O-N 2.89Å; E555-K557 VanDerWaalsContact C-N 3.31Å; E555-K557 PolarHBondContact O-N 3.42Å; K557-K561 WeakPolarHBondContact O-CG 3.5Å
558R91.8Very high90.6Very high180 Ų18087.5 Ų87.568%0.67941%0.407SS*.Hα-helixtrans-82.8-35.7172179.6168.657.7113.8-2111.2D554 E555 K556D554-R558 VanDerWaalsContact O-CB 3.28Å; D554-R558 WeakPolarHBondContact O-CB 3.29Å; D554-R558 PolarHBondContact O-N 3.41Å; E555-R558 PolarHBondContact O-N 3.31Å; K556-R558 VanDerWaalsContact C-N 3.28Å; K556-R558 PolarHBondContact O-N 2.85Å
559H92.6Very high90.5Very high29 Ų2987.5 Ų87.513%0.13441%0.407CS..Hα-helixtrans-73.4-41.4177.2-175.457.5000112.9C546 F550 E555 K556 K561 V562 H563C546-H559 PolarHBondContact SG-NE2 3.28Å; F550-H559 HydrophobicContact CE1-CB 4.25Å; F550-H559 HydrophobicContact CE2-CB 3.94Å; F550-H559 AromaticContact CE2-CD2 3.54Å; F550-H559 AromaticContact CE2-CG 3.9Å; F550-H559 HydrophobicContact CZ-CB 3.59Å; F550-H559 AromaticContact CZ-CD2 3.44Å; F550-H559 VanDerWaalsContact CZ-CD2 3.44Å; F550-H559 WeakPolarHBondContact CZ-CD2 3.44Å; F550-H559 AromaticContact CZ-CG 3.45Å; F550-H559 VanDerWaalsContact CZ-CG 3.45Å; E555-H559 WeakPolarHBondContact O-CB 3.27Å; E555-H559 PolarHBondContact O-N 2.85Å; K556-H559 PolarHBondContact O-N 3.35Å; H559-K561 PolarHBondContact O-N 3.23Å; H559-K561 VanDerWaalsContact O-N 3.16Å; H559-V562 WeakPolarHBondContact O-CA 3.1Å; H559-V562 WeakPolarHBondContact O-CB 3.45Å; H559-V562 WeakPolarHBondContact O-CG2 3.19Å; H559-V562 PolarHBondContact O-N 3.36Å; H559-H563 AromaticContact NE2-NE2 3.94Å
560S91.3Very high90.3Very high34 Ų3482 Ų8224%0.23840%0.396CS..Hα-helixtrans-62.2-25.1176.864.90000113.3K556 V562 H563 L564K556-S560 PolarHBondContact O-N 3.26Å; K556-S560 PolarHBondContact O-OG 2.85Å; S560-V562 PolarHBondContact O-N 3.45Å; S560-H563 PolarHBondContact O-N 2.82Å; S560-L564 WeakPolarHBondContact O-CG 3.33Å; S560-L564 PolarHBondContact O-N 3.13Å
561K93.2Very high90.2Very high136 Ų13682.3 Ų82.359%0.59140%0.398SS*.Hα-helixtrans-67.9-17.7169.5-70.3178.6-178.4-173.10114.1K557 H559 K565K557-K561 WeakPolarHBondContact O-CG 3.5Å; H559-K561 PolarHBondContact O-N 3.23Å; H559-K561 VanDerWaalsContact O-N 3.16Å; K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 3.43Å; K561-K565 PolarHBondContact O-N 3.06Å
562V92.7Very high90.2Very high65 Ų6588 Ų8839%0.39442%0.421SS..Hα-helixtrans-73.3-48.1169.2-174.10000109.1H559 S560 L564 K565 Q566H559-V562 WeakPolarHBondContact O-CA 3.1Å; H559-V562 WeakPolarHBondContact O-CB 3.45Å; H559-V562 WeakPolarHBondContact O-CG2 3.19Å; H559-V562 PolarHBondContact O-N 3.36Å; S560-V562 PolarHBondContact O-N 3.45Å; V562-L564 PolarHBondContact O-N 2.9Å; V562-K565 CarbonylContact O-C 3.57Å; V562-K565 WeakPolarHBondContact O-CB 3.29Å; V562-K565 PolarHBondContact O-N 3.16Å; V562-K565 VanDerWaalsContact O-N 3.11Å; V562-Q566 HydrophobicContact CG1-CG 4.42Å; V562-Q566 WeakPolarHBondContact O-CG 3.47Å; V562-Q566 PolarHBondContact O-N 3.46Å
563H90.3Very high90Very high41 Ų4193 Ų9319%0.1944%0.44CS..Hα-helixtrans-61.1-42.3175.8-61-49.3000112.9V545 C546 H559 S560 K565 Q566 K567V545-H563 HydrophobicContact CB-CB 4.36Å; V545-H563 HydrophobicContact CG1-CB 4.04Å; V545-H563 HydrophobicContact CG2-CB 4.39Å; C546-H563 WeakPolarHBondContact CB-NE2 3.44Å; H559-H563 AromaticContact NE2-NE2 3.94Å; S560-H563 PolarHBondContact O-N 2.82Å; H563-K565 VanDerWaalsContact C-N 3.28Å; H563-K565 PolarHBondContact O-N 3.29Å; H563-Q566 PolarHBondContact CE1-OE1 3.21Å; H563-Q566 PolarHBondContact ND1-OE1 2.87Å; H563-Q566 PolarHBondContact O-N 2.93Å; H563-Q566 VanDerWaalsContact O-N 3.16Å; H563-K567 WeakPolarHBondContact O-CB 3.33Å; H563-K567 PolarHBondContact O-N 3.34Å
564L89.5Confident89.4Confident117 Ų11792.6 Ų92.661%0.61343%0.434SS*.Hα-helixtrans-59.6-37.3173.9-72.7164.2000112.5S560 V562 A568S560-L564 WeakPolarHBondContact O-CG 3.33Å; S560-L564 PolarHBondContact O-N 3.13Å; V562-L564 PolarHBondContact O-N 2.9Å; L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 2.93Å
565K91.6Very high88.9Confident160 Ų16094.1 Ų94.170%0.69644%0.437SS*.Hα-helixtrans-72.6-37.2173.7-76.7179.4173.3-164.70113K561 V562 H563 A568 R569K561-K565 VanDerWaalsContact O-CG 3.31Å; K561-K565 WeakPolarHBondContact O-CG 3.43Å; K561-K565 PolarHBondContact O-N 3.06Å; V562-K565 CarbonylContact O-C 3.57Å; V562-K565 WeakPolarHBondContact O-CB 3.29Å; V562-K565 PolarHBondContact O-N 3.16Å; V562-K565 VanDerWaalsContact O-N 3.11Å; H563-K565 VanDerWaalsContact C-N 3.28Å; H563-K565 PolarHBondContact O-N 3.29Å; K565-A568 PolarHBondContact O-N 3.25Å; K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.39Å
566Q90.3Very high88Confident104 Ų10494.9 Ų94.949%0.48646%0.46SS..Hα-helixtrans-66.2-44.6176.4-74.2170.7-4100110.7V562 H563 R569 A570V562-Q566 HydrophobicContact CG1-CG 4.42Å; V562-Q566 WeakPolarHBondContact O-CG 3.47Å; V562-Q566 PolarHBondContact O-N 3.46Å; H563-Q566 PolarHBondContact CE1-OE1 3.21Å; H563-Q566 PolarHBondContact ND1-OE1 2.87Å; H563-Q566 PolarHBondContact O-N 2.93Å; H563-Q566 VanDerWaalsContact O-N 3.16Å; Q566-R569 PolarHBondContact O-N 3.38Å; Q566-A570 WeakPolarHBondContact O-CB 3.43Å; Q566-A570 PolarHBondContact O-N 2.82Å
567K89.4Confident86.9Confident98 Ų9898.6 Ų98.643%0.42648%0.481SS..Hα-helixtrans-58.6-49.7171.7175.4161.3177.7161.80111.4H563 R569 A570 E571 F586H563-K567 WeakPolarHBondContact O-CB 3.33Å; H563-K567 PolarHBondContact O-N 3.34Å; K567-R569 VanDerWaalsContact C-N 3.32Å; K567-R569 PolarHBondContact O-N 2.79Å; K567-A570 WeakPolarHBondContact O-CB 3.35Å; K567-A570 PolarHBondContact O-N 2.9Å; K567-A570 VanDerWaalsContact O-N 3.09Å; K567-E571 WeakPolarHBondContact CE-OE1 3.5Å; K567-E571 HydrophobicContact CG-CG 4.37Å; K567-E571 WeakPolarHBondContact CG-OE1 3.42Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.25Å; K567-F586 HydrophobicContact CD-CZ 4.36Å
568A89.8Confident85.5Confident52 Ų5293.3 Ų93.343%0.4347%0.466SS..Hα-helixtrans-57.8-41.3176.600000112.9L564 K565 E571 E572L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 2.93Å; K565-A568 PolarHBondContact O-N 3.25Å; A568-E571 PolarHBondContact O-N 2.96Å; A568-E572 VanDerWaalsContact O-CB 3.3Å; A568-E572 WeakPolarHBondContact O-CB 3.36Å; A568-E572 PolarHBondContact O-N 2.85Å
569R87.8Confident83.8Confident160 Ų16088.3 Ų88.360%0.60445%0.45SS*.Hα-helixtrans-70.1-30.7176.1-168.8-179.4-175.9-164.31.4113K565 Q566 K567 R573K565-R569 WeakPolarHBondContact O-CB 3.35Å; K565-R569 PolarHBondContact O-N 3.39Å; Q566-R569 PolarHBondContact O-N 3.38Å; K567-R569 VanDerWaalsContact C-N 3.32Å; K567-R569 PolarHBondContact O-N 2.79Å; R569-R573 WeakPolarHBondContact O-CB 3.21Å; R569-R573 WeakPolarHBondContact O-CG 3.29Å; R569-R573 PolarHBondContact O-N 3.28Å
570A87.1Confident82Confident48 Ų4892.4 Ų92.440%0.39747%0.465SS..Hα-helixtrans-71.2-46.1173.600000110.9Q566 K567 E572 R573 L574Q566-A570 WeakPolarHBondContact O-CB 3.43Å; Q566-A570 PolarHBondContact O-N 2.82Å; K567-A570 WeakPolarHBondContact O-CB 3.35Å; K567-A570 PolarHBondContact O-N 2.9Å; K567-A570 VanDerWaalsContact O-N 3.09Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.14Å; A570-R573 PolarHBondContact O-N 3.45Å; A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 2.84Å
571E87.3Confident80.5Confident51 Ų5196 Ų9624%0.23849%0.49CS..Hα-helixtrans-58.6-41.6172.4-71.3174.9-155.300112.3K567 A568 L574 K575 F586K567-E571 WeakPolarHBondContact CE-OE1 3.5Å; K567-E571 HydrophobicContact CG-CG 4.37Å; K567-E571 WeakPolarHBondContact CG-OE1 3.42Å; K567-E571 WeakPolarHBondContact O-CG 3.35Å; K567-E571 PolarHBondContact O-N 3.25Å; A568-E571 PolarHBondContact O-N 2.96Å; E571-L574 PolarHBondContact O-N 3.15Å; E571-K575 WeakPolarHBondContact O-CB 3.3Å; E571-K575 WeakPolarHBondContact O-CD 3.45Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.86Å; E571-K575 IonicContact OE2-NZ 3.47Å; E571-K575 PolarHBondContact OE2-NZ 3.18Å; E571-F586 HydrophobicContact CG-CD2 4.33Å; E571-F586 HydrophobicContact CG-CE2 4Å
572E87Confident78.8Confident136 Ų13695.6 Ų95.664%0.63649%0.494SS*.Hα-helixtrans-63.3-41.4175.5-174.5176.3-153.700111.9A568 A570 K575 G576A568-E572 VanDerWaalsContact O-CB 3.3Å; A568-E572 WeakPolarHBondContact O-CB 3.36Å; A568-E572 PolarHBondContact O-N 2.85Å; A570-E572 VanDerWaalsContact C-N 3.32Å; A570-E572 PolarHBondContact O-N 3.14Å; E572-K575 PolarHBondContact O-N 3.32Å; E572-G576 PolarHBondContact O-N 3.03Å
573R83.3Confident77.1Confident167 Ų16795.8 Ų95.863%0.6351%0.509SS*.Hα-helixtrans-64-43.6172.4-81.7178.1145.3-176-10.1112.6R569 A570 K575 G576 L577R569-R573 WeakPolarHBondContact O-CB 3.21Å; R569-R573 WeakPolarHBondContact O-CG 3.29Å; R569-R573 PolarHBondContact O-N 3.28Å; A570-R573 PolarHBondContact O-N 3.45Å; R573-K575 VanDerWaalsContact C-N 3.28Å; R573-K575 PolarHBondContact O-N 3.32Å; R573-G576 PolarHBondContact O-N 2.9Å; R573-L577 WeakPolarHBondContact O-CG 3.36Å; R573-L577 PolarHBondContact O-N 3.05Å
574L77.2Confident75.6Confident47 Ų4798.1 Ų98.125%0.24652%0.522CS..Hα-helixtrans-64.5-32.6176-70.3166.8000112.2A570 E571 L577 F579 Y580A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 2.84Å; E571-L574 PolarHBondContact O-N 3.15Å; L574-L577 PolarHBondContact O-N 3.12Å; L574-F579 HydrophobicContact CD2-CD2 4.49Å; L574-Y580 HydrophobicContact CB-CE2 4.27Å
575K79.3Confident73.8Confident110 Ų11095.3 Ų95.348%0.47851%0.512SS..Hα-helixtrans-66.4-43.5171.7-72.6159.8-171.1158.60111.1E571 E572 R573 L577 G578 Y580E571-K575 WeakPolarHBondContact O-CB 3.3Å; E571-K575 WeakPolarHBondContact O-CD 3.45Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.86Å; E571-K575 IonicContact OE2-NZ 3.47Å; E571-K575 PolarHBondContact OE2-NZ 3.18Å; E572-K575 PolarHBondContact O-N 3.32Å; R573-K575 VanDerWaalsContact C-N 3.28Å; R573-K575 PolarHBondContact O-N 3.32Å; K575-L577 VanDerWaalsContact C-N 3.28Å; K575-L577 PolarHBondContact O-N 3.13Å; K575-G578 PolarHBondContact O-N 2.77Å; K575-Y580 HydrophobicContact CB-CD2 4.37Å; K575-Y580 HydrophobicContact CB-CE2 4.13Å; K575-Y580 HydrophobicContact CD-CE2 4.45Å; K575-Y580 WeakPolarHBondContact CE-OH 3.48Å; K575-Y580 HydrophobicContact CG-CD2 3.78Å; K575-Y580 HydrophobicContact CG-CE1 4.43Å; K575-Y580 HydrophobicContact CG-CE2 3.3Å
576G70.2Confident72Confident72 Ų7292.2 Ų92.274%0.74250%0.499SS*.Hα-helixtrans-65.5-25.717400000114.7E572 R573 G578E572-G576 PolarHBondContact O-N 3.03Å; R573-G576 PolarHBondContact O-N 2.9Å; G576-G578 VanDerWaalsContact C-N 3.31Å
577L71.3Confident70.3Confident124 Ų12491.9 Ų91.965%0.64951%0.514SS*.THydrogen-bonded Turntrans-86.37.7176.8-70.7168000114R573 L574 K575 F579R573-L577 WeakPolarHBondContact O-CG 3.36Å; R573-L577 PolarHBondContact O-N 3.05Å; L574-L577 PolarHBondContact O-N 3.12Å; K575-L577 VanDerWaalsContact C-N 3.28Å; K575-L577 PolarHBondContact O-N 3.13Å; L577-F579 HydrophobicContact CB-CD2 4.21Å; L577-F579 PolarHBondContact O-N 2.81Å; L577-F579 VanDerWaalsContact O-N 3.15Å
578G62.9Low68.6Low29 Ų2991 Ų9130%0.29952%0.52SS..THydrogen-bonded Turntrans717.3171.800000116.3K575 G576 Y580 S581K575-G578 PolarHBondContact O-N 2.77Å; G576-G578 VanDerWaalsContact C-N 3.31Å; G578-Y580 PolarHBondContact O-N 3.37Å; G578-Y580 VanDerWaalsContact O-N 3.07Å; G578-S581 VanDerWaalsContact O-CB 3.23Å; G578-S581 WeakPolarHBondContact O-CB 3.46Å; G578-S581 PolarHBondContact O-N 3.49Å; G578-S581 PolarHBondContact O-OG 3.16Å
579F56.6Low66.7Low74 Ų7496 Ų9633%0.32554%0.539SS..G310 helixtrans-56.5-29-178-99.3-98.5000114.1L574 L577 S581 L582 L584L574-F579 HydrophobicContact CD2-CD2 4.49Å; L577-F579 HydrophobicContact CB-CD2 4.21Å; L577-F579 PolarHBondContact O-N 2.81Å; L577-F579 VanDerWaalsContact O-N 3.15Å; F579-S581 PolarHBondContact O-N 3.3Å; F579-L582 PolarHBondContact O-N 3.2Å; F579-L584 HydrophobicContact CD1-CB 4.42Å; F579-L584 HydrophobicContact CD1-CD1 3.95Å; F579-L584 HydrophobicContact CE1-CD1 3.93Å
580Y55.4Low65.6Low116 Ų11692.9 Ų92.946%0.45554%0.536SS..G310 helixtrans-70.1-17178-63.3-100.1000112.8L574 K575 G578 L582L574-Y580 HydrophobicContact CB-CE2 4.27Å; K575-Y580 HydrophobicContact CB-CD2 4.37Å; K575-Y580 HydrophobicContact CB-CE2 4.13Å; K575-Y580 HydrophobicContact CD-CE2 4.45Å; K575-Y580 WeakPolarHBondContact CE-OH 3.48Å; K575-Y580 HydrophobicContact CG-CD2 3.78Å; K575-Y580 HydrophobicContact CG-CE1 4.43Å; K575-Y580 HydrophobicContact CG-CE2 3.3Å; G578-Y580 PolarHBondContact O-N 3.37Å; G578-Y580 VanDerWaalsContact O-N 3.07Å; Y580-L582 VanDerWaalsContact C-N 3.28Å
581S57.8Low64.5Low110 Ų11095.2 Ų95.277%0.76954%0.543SS*.G310 helixtrans-77.3-12.6170.8-50.50000113G578 F579G578-S581 VanDerWaalsContact O-CB 3.23Å; G578-S581 WeakPolarHBondContact O-CB 3.46Å; G578-S581 PolarHBondContact O-N 3.49Å; G578-S581 PolarHBondContact O-OG 3.16Å; F579-S581 PolarHBondContact O-N 3.3Å
582L58.5Low63.3Low127 Ų12797.7 Ų97.767%0.66556%0.56SS**G310 helixtrans-105.17.9-178.7-62.2174.7000113.1F579 Y580 L584F579-L582 PolarHBondContact O-N 3.2Å; Y580-L582 VanDerWaalsContact C-N 3.28Å; L582-L584 HydrophobicContact CB-CD1 4.42Å; L582-L584 PolarHBondContact O-N 3.4Å
583G56.8Low61.9Low69 Ų6995.4 Ų95.471%0.71156%0.556SS**THydrogen-bonded Turntrans70.1-4.2177.300000116.1S585G583-S585 PolarHBondContact O-N 3.08Å
584L58.7Low60.5Low89 Ų8990.9 Ų90.947%0.46655%0.551SS.*  trans-67.3117.1-179.1-72.3165.6000111.2F579 L582F579-L584 HydrophobicContact CD1-CB 4.42Å; F579-L584 HydrophobicContact CD1-CD1 3.95Å; F579-L584 HydrophobicContact CE1-CD1 3.93Å; L582-L584 HydrophobicContact CB-CD1 4.42Å; L582-L584 PolarHBondContact O-N 3.4Å
585S51.6Low59.4Low58 Ų5893.9 Ų93.941%0.40657%0.571SS.*  trans-80.2156.1-17790.70000112.3G583 A587 S588G583-S585 PolarHBondContact O-N 3.08Å; S585-A587 PolarHBondContact O-N 2.88Å; S585-A587 VanDerWaalsContact O-N 3.11Å; S585-A587 PolarHBondContact OG-N 3.19Å; S585-A587 VanDerWaalsContact OG-N 3.14Å; S585-S588 WeakPolarHBondContact O-CB 3.44Å; S585-S588 PolarHBondContact O-N 3.29Å; S585-S588 PolarHBondContact OG-OG 3.09Å
586F54.9Low58Low96 Ų9692.7 Ų92.742%0.42158%0.578SS.*G310 helixtrans-64.5-11.3172.5-167.7-83.4000113.2K567 E571 S588K567-F586 HydrophobicContact CD-CZ 4.36Å; E571-F586 HydrophobicContact CG-CD2 4.33Å; E571-F586 HydrophobicContact CG-CE2 4Å; F586-S588 VanDerWaalsContact C-N 3.28Å
587A54.3Low57Low97 Ų9794.3 Ų94.380%0.80257%0.565SS**G310 helixtrans-87.42.3173.900000113.1S585S585-A587 PolarHBondContact O-N 2.88Å; S585-A587 VanDerWaalsContact O-N 3.11Å; S585-A587 PolarHBondContact OG-N 3.19Å; S585-A587 VanDerWaalsContact OG-N 3.14Å
588S54.1Low55.9Low79 Ų7991.8 Ų91.855%0.55256%0.558SS**G310 helixtrans-112.310.4-176.4-47.40000112.8S585 F586S585-S588 WeakPolarHBondContact O-CB 3.44Å; S585-S588 PolarHBondContact O-N 3.29Å; S585-S588 PolarHBondContact OG-OG 3.09Å; F586-S588 VanDerWaalsContact C-N 3.28Å
589L48.8Very low55.2Low158 Ų15897.5 Ų97.583%0.82758%0.582SS**  trans-144.20-177.6-76.4171.1000110.1

Retrieved 589 of 589 residues in 194 ms (Link to these results)