G4VNF7_SCHMA Loading...

Putative leukocyte receptor cluster (Lrc) member

AlphaFold DB , UniProt , Accession G4VNF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 749 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
1M36.6Very low35.4Very low248 Ų248162.4 Ų162.4100%1.22285%0.847SS**  01720-74.5168164.400108.9
2A35.3Very low35.2Very low95 Ų95163.3 Ų163.379%0.78584%0.844SS**  trans-26.5137.2-174.300000117.4
3Q33Very low35Very low160 Ų160156.5 Ų156.575%0.74884%0.839SS**  cis88125.814-142.7-165.425.900117.1
4W31.8Very low34.7Very low225 Ų225152.5 Ų152.585%0.85284%0.838SS**  trans84147.5164.3-64.8108.8000123
5G36.4Very low34.9Very low75 Ų75157.6 Ų157.677%0.77384%0.842SS**  trans97.3104.8164.100000116.1
6S37.5Very low34.9Very low109 Ų109155 Ų15576%0.76284%0.837SS**  cis90.987.713.8-169.60000118.3
7Y36.1Very low34.6Very low243 Ų243150.2 Ų150.295%0.95383%0.832SS**  trans-163.6153.2150.7-96.8-77.4000107.4
8G37Very low34.6Very low68 Ų68155.1 Ų155.170%0.70184%0.837SS**  cis-165.4173.2-300000111.4
9S34.9Very low34.6Very low113 Ų113157.7 Ų157.779%0.7984%0.836SS**  trans-81155.7-170.9-47.10000114.9
10Y34.4Very low34.4Very low198 Ų198157.2 Ų157.278%0.77683%0.833SS**  177.6129.6114.5-112.4-84.9000113
11W36.6Very low34.4Very low252 Ų252158.6 Ų158.696%0.95583%0.828SS**  trans-178.1125.8136.5-97.8111.2000108.5
12Q32.4Very low34.4Very low173 Ų173150.5 Ų150.581%0.80880%0.801SS**  trans-103.5138.7176.9-71.8-179.6-13.200110.6
13G33.2Very low34.5Very low76 Ų76152.9 Ų152.978%0.78480%0.796SS**  trans-160.2107.2172.500000109.9
14A31.1Very low34.5Very low100 Ų100149.6 Ų149.683%0.82679%0.789SS**  trans-87.9132.3-168.900000113
15Y36.8Very low34.6Very low229 Ų229143.7 Ų143.790%0.89879%0.788SS**  trans-135.6142.3159.3-92.2-89.8000109.2
16P34.6Very low34.6Very low116 Ų116144.4 Ų144.475%0.75377%0.771SS**PPolyproline II helixtrans-74.2150.3-173.430.1-35.2000112.6
17G29.9Very low34.7Very low73 Ų73145.1 Ų145.175%0.75377%0.771SS**PPolyproline II helixtrans-65.3137.1-171.800000114.5
18Y34.4Very low34.8Very low238 Ų238140 Ų14093%0.93375%0.751SS**PPolyproline II helixtrans-88.2137.8166.3-113.4-100.7000110.3
19Y35Very low35.4Very low205 Ų205141.4 Ų141.480%0.80474%0.742SS**PPolyproline II helixtrans-66.5131.7-176.6-82.4-100.4000112.5
20D30.1Very low35.6Very low147 Ų147143 Ų14379%0.78673%0.732SS**PPolyproline II helixtrans-73.4124.5163.5-173.710.1000109.7A22D20-A22 PolarHBondContact OD1-N 3.43Å
21Y34.6Very low36.6Very low187 Ų187138.7 Ų138.773%0.73372%0.722SS**  trans-108.651.6-177.9-113-81.9000111.3Q23Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.22Å
22A36.5Very low37.2Very low79 Ų79133.6 Ų133.665%0.65371%0.709SS**  trans-65.985.2168.600000111.1D20 P24D20-A22 PolarHBondContact OD1-N 3.43Å; A22-P24 WeakPolarHBondContact O-CD 3.24Å
23Q37.7Very low37.7Very low144 Ų144131.9 Ų131.967%0.67370%0.701SS**  trans-64122.8173-83.3-87.1-70.200110.7Y21Y21-Q23 VanDerWaalsContact C-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.22Å
24P34.3Very low37.8Very low92 Ų92131.9 Ų131.960%0.59769%0.686SS**  trans-71.3149.6172.830.5-34.4000110.8A22 Q26A22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-Q26 PolarHBondContact O-N 3.16Å
25A34Very low38.3Very low101 Ų101132.7 Ų132.784%0.83568%0.675SS**  trans-68.7116178.600000110.9T27A25-T27 PolarHBondContact O-N 3.3Å
26Q36.4Very low38.3Very low90 Ų90126.9 Ų126.942%0.42167%0.666SS.*  trans-85.7110.2176.8-68.1-177.6-11.800110.7P24 Y28P24-Q26 PolarHBondContact O-N 3.16Å; Q26-Y28 HydrophobicContact CB-CE2 4.35Å
27T37.7Very low38.6Very low123 Ų123127.7 Ų127.776%0.75567%0.668SS**PPolyproline II helixtrans-82.6131.5163.349.60000109.4A25A25-T27 PolarHBondContact O-N 3.3Å
28Y38.8Very low39.1Very low135 Ų135129.4 Ų129.453%0.52967%0.669SS.*BIsolated β-bridgetrans-94.8132.9179.1-66.6-94.4000110.7Q26 T34Q26-Y28 HydrophobicContact CB-CE2 4.35Å; Y28-T34 HydrophobicContact CD1-CG2 4.26Å; Y28-T34 HydrophobicContact CE1-CG2 3.52Å
29D50.2Low39Very low98 Ų98123.7 Ų123.752%0.52466%0.663SS.*PPolyproline II helixtrans-77.9166.6164.8-176.432.9000110.7N31 H32D29-N31 PolarHBondContact O-N 3.45Å; D29-H32 PolarHBondContact O-N 2.87Å
30Y39.3Very low39.3Very low146 Ų146120.6 Ų120.657%0.57367%0.665SS**THydrogen-bonded Turntrans-44.5-29.4-176.8-173.1-95.8000115.6Y258Y30-Y258 HydrophobicContact CE2-CE1 4.03Å; Y30-Y258 AromaticContact CE2-CZ 3.77Å; Y30-Y258 WeakPolarHBondContact CE2-OH 3.12Å; Y30-Y258 AromaticContact CZ-CE1 3.98Å; Y30-Y258 WeakPolarHBondContact OH-CE1 3.45Å; Y30-Y258 PolarHBondContact OH-OH 2.94Å
31N55.7Low39.5Very low108 Ų108121.2 Ų121.258%0.57866%0.664SS**THydrogen-bonded Turntrans-97.714.7179.3-66.5-63000114.4D29 Q33D29-N31 PolarHBondContact O-N 3.45Å; N31-Q33 HydrophobicContact CB-CG 4.36Å; N31-Q33 PolarHBondContact O-N 3.26Å; N31-Q33 VanDerWaalsContact O-N 3.1Å
32H47.6Very low39.8Very low146 Ų146119.4 Ų119.468%0.67667%0.666SS**  trans55.520.6-176.4-71.7-78.9000115.8D29D29-H32 PolarHBondContact O-N 2.87Å
33Q43Very low39.8Very low137 Ų137125 Ų12564%0.6468%0.676SS**  trans-80.5132.1176-61.2-171.215.700110.9N31 I35N31-Q33 HydrophobicContact CB-CG 4.36Å; N31-Q33 PolarHBondContact O-N 3.26Å; N31-Q33 VanDerWaalsContact O-N 3.1Å; Q33-I35 PolarHBondContact O-N 3.27Å
34T36.8Very low39.8Very low76 Ų76123.5 Ų123.547%0.46668%0.679SS.*BIsolated β-bridgetrans-84.3108.5177.952.20000110.7Y28Y28-T34 HydrophobicContact CD1-CG2 4.26Å; Y28-T34 HydrophobicContact CE1-CG2 3.52Å
35I40Very low39.9Very low116 Ų116124.6 Ų124.660%0.59569%0.689SS**  trans-89.7122173.4-56.6177.2000109.2Q33Q33-I35 PolarHBondContact O-N 3.27Å
36P37.4Very low40.2Very low108 Ų108126.1 Ų126.170%0.70169%0.688SS**  trans-79.5126.3172.531.5-31.8000110.6
37V40.7Very low40.6Very low133 Ų133127.1 Ų127.181%0.80670%0.702SS**  trans-90.1115.1172.7-178.80000109.1
38S40.7Very low41.3Very low109 Ų109126.9 Ų126.976%0.76270%0.703SS**  trans-83.7142.5176.2-66.60000112
39S33.5Very low42.1Very low117 Ų117126.3 Ų126.382%0.81872%0.716SS**  trans-69.2145.6-178.7-50.50000113.8
40V40.5Very low41.9Very low140 Ų140128 Ų12885%0.84873%0.732SS**  trans-133.8126.4155.2178.50000108.1
41Q34.4Very low42Very low161 Ų161124.5 Ų124.575%0.75274%0.741SS**  trans-95.3140.5158.9-64.2170.2-129.700106
42D39.8Very low41.4Very low148 Ų148125.7 Ų125.779%0.79175%0.751SS**  -166.9176.473.5-93.8-43.3000113.1
43K36.9Very low40.9Very low196 Ų196127.2 Ų127.285%0.85276%0.759SS**  trans-106.3162.7171-89.9-177.5177.6-177.40109
44P37.4Very low40.7Very low113 Ų113125.8 Ų125.873%0.73476%0.764SS**  cis-151.1-162.541.444.4-23000116.9
45S37.9Very low41Very low115 Ų115128 Ų12880%0.80478%0.777SS**  trans73.6154.5166.580.70000118.3
46T38.6Very low41.3Very low133 Ų133129 Ų12982%0.81679%0.789SS**  trans-142.4124.5-167.6-54.70000110
47P46.2Very low41.7Very low112 Ų112129.1 Ų129.173%0.72779%0.789SS**PPolyproline II helixtrans-98.9144.916434.9-28.9000111.7
48P52.6Low41.7Very low117 Ų117132.2 Ų132.276%0.7679%0.792SS**PPolyproline II helixtrans-78163.5171.633.2-34.8000112.5
49P54.1Low41.9Very low124 Ų124132.3 Ų132.381%0.80579%0.788SS**PPolyproline II helixtrans-78.5152.2-176.632.3-36.2000113.5
50P47.4Very low42.1Very low132 Ų132134.1 Ų134.186%0.85779%0.788SS**PPolyproline II helixtrans-98156.8-179.237.2-34.7000114.5
51G41Very low42Very low74 Ų74131.1 Ų131.176%0.76379%0.785SS**  115.343.7122.900000121.3
52V42.2Very low42Very low132 Ų132131 Ų13180%0.879%0.79SS**  trans-139.2131.2151.5-166.90000104.6
53E38.1Very low41.9Very low179 Ų179129.3 Ų129.384%0.83679%0.785SS**  cis-149.716927.4-145.5151.3-148.100111.5
54S38.6Very low41.6Very low106 Ų106125.9 Ų125.974%0.74178%0.781SS**  trans-104.5148.8158.7-63.70000108
55T43.3Very low41.5Very low122 Ų122126 Ų12675%0.74878%0.779SS**  cis-158.2133.94941.10000114.7
56V46Very low41.2Very low138 Ų138126.3 Ų126.384%0.83678%0.776SS**  64.2140.5129.1179.70000120.3
57P45.5Very low41Very low110 Ų110125.6 Ų125.671%0.71478%0.777SS**  trans-127.9-174-157.144.5-28.3000115.4
58K41.4Very low40.6Very low198 Ų198125.6 Ų125.686%0.86178%0.779SS**  trans144151.6152.7-87.8178.3179.2-174.80110.8
59V44.1Very low40.2Very low111 Ų111127.4 Ų127.467%0.67378%0.781SS**  cis-162.2153.3-24.196.10000107.8
60D37.6Very low39.5Very low155 Ų155127.1 Ų127.183%0.82978%0.779SS**  trans42.7141.4164-51.2-19.3000121.9
61G39.4Very low39.2Very low77 Ų77124.7 Ų124.779%0.79477%0.77SS**  trans150.861.8161.500000121.1
62N34.5Very low39.2Very low160 Ų160127.1 Ų127.186%0.85677%0.77SS**  trans33.2143.6137.6-134.26.5000124.2
63V36.6Very low39.2Very low111 Ų111131.4 Ų131.467%0.67377%0.774SS**  trans75.5103.7157.8-167.90000121.1
64T31.6Very low39.2Very low125 Ų125129.4 Ų129.477%0.76777%0.769SS**  23.1146123.8-28.90000123.3
65V34.3Very low39.5Very low115 Ų115128.6 Ų128.670%0.69776%0.761SS**  trans120.997.5147-178.20000118
66T31.9Very low39.3Very low121 Ų121126.9 Ų126.974%0.74275%0.754SS**  trans49.7146.1145.862.90000125.7
67S34.5Very low38.9Very low119 Ų119131.2 Ų131.283%0.83276%0.756SS**  trans80.2153.3154.283.50000117
68S38.4Very low38.2Very low112 Ų112132.1 Ų132.178%0.78376%0.763SS**  cis-144.3174.49.257.90000113.4
69I43.1Very low37.9Very low155 Ų155128.9 Ų128.980%0.79576%0.76SS**  trans-113.8155.6174.4-22.8177000109.4
70P40.2Very low37.4Very low117 Ų117128.5 Ų128.576%0.7676%0.762SS**  -131.5147.2105.78.913.5000112.3
71A41.7Very low37.6Very low82 Ų82128 Ų12868%0.67877%0.765SS**  71.1142.860.700000112.6
72T41.1Very low37.5Very low124 Ų124129.6 Ų129.676%0.76176%0.761SS**  cis-160.4137.422.1-42.70000111.8
73Y41.9Very low37.7Very low222 Ų222131.1 Ų131.187%0.87176%0.761SS**  -176.5156.7122.4-135.3-101.1000112.2
74D37.1Very low37.7Very low137 Ų137134.1 Ų134.173%0.73377%0.767SS**  trans-156.2-165.1-162.2-146.414.2000107.3
75P46Very low37.8Very low89 Ų89133.4 Ų133.458%0.57877%0.767SS**  cis-137.6-178.3-15.142.2-25.1000116.1
76S38.4Very low38Very low86 Ų86133.1 Ų133.160%0.60177%0.768SS**  trans77150142.678.40000119.6
77W38Very low38.1Very low230 Ų230134.4 Ų134.487%0.87177%0.77SS**  cis-129.4147.16.5-77.576.5000112.6
78C29.4Very low38.2Very low129 Ų129138.8 Ų138.887%0.87278%0.775SS**  trans-159.4121.1168.5-144.40000110.1
79T35.3Very low38Very low129 Ų129137.9 Ų137.979%0.79177%0.773SS**  trans-149.8129173.8-50.70000113.9
80S34.9Very low37.5Very low103 Ų103136.8 Ų136.872%0.7278%0.778SS**  trans-55.6156.8-178-40.20000118.2
81T41.2Very low37.2Very low146 Ų146135.3 Ų135.390%0.89678%0.776SS**  -165.8148.7120.614.10000111.6
82P38.2Very low36.8Very low110 Ų110142.7 Ų142.771%0.71479%0.788SS**  trans-121.5136.4-177.337.9-25.2000114.9
83F38Very low36.5Very low192 Ų192142.2 Ų142.284%0.84279%0.785SS**  trans-157.9128163.3-118.5-84.3000115
84H36.7Very low36.5Very low173 Ų173143.1 Ų143.180%0.80179%0.789SS**  trans57.8145.9154.5-86.854.8000123.4
85S34Very low36.5Very low110 Ų110141.2 Ų141.277%0.76979%0.786SS**  trans-94.6-174.8178.2-41.20000111
86P38.3Very low36.6Very low109 Ų109142.5 Ų142.571%0.70879%0.794SS**  cis-140.9174.15.743-24.4000118.1
87N32.9Very low36.9Very low149 Ų149144.2 Ų144.280%0.79780%0.801SS**  trans23124.3148.3-60.5-13.7000120.7
88F37.6Very low37.1Very low211 Ų211139.8 Ų139.893%0.92580%0.799SS**  trans-131.1129.1141.5-116.5-90000110.3
89A33.6Very low38.3Very low92 Ų92139.1 Ų139.176%0.7679%0.793SS**  trans-128128.9174.600000108.9A91A89-A91 PolarHBondContact O-N 3.28Å
90C33.7Very low38.7Very low133 Ų133138.4 Ų138.490%0.89979%0.791SS**  trans-85.8110.8175.3-75.60000110.2
91A32.3Very low39Very low85 Ų85144 Ų14470%0.70280%0.796SS**  trans-122.5127.6164.700000108.6A89A89-A91 PolarHBondContact O-N 3.28Å
92Y34.6Very low39.1Very low237 Ų237145 Ų14593%0.92979%0.791SS**  trans-92122.7166.8-86.6-83.6000108.9
93T33.9Very low39Very low115 Ų115145.4 Ų145.471%0.70679%0.793SS**  trans-133.5144.1172.349.20000109.8
94Y42.2Very low39.3Very low241 Ų241142.7 Ų142.795%0.94579%0.792SS**  trans-141.8109.8159.1-117.5-86000108.9
95S37.2Very low39.4Very low97 Ų97142 Ų14268%0.67879%0.791SS**  trans-94.4-171.8167.1-610000107.8
96P48.2Very low39.6Very low115 Ų115145.4 Ų145.475%0.74779%0.793SS**  cis-130.3-158.55.129.7-1.9000111.4
97T44.3Very low39.6Very low122 Ų122147 Ų14775%0.74880%0.795SS**  cis-162.4144.119.6-34.80000111.8
98V43.3Very low40.2Very low137 Ų137144.5 Ų144.583%0.8379%0.787SS**  trans-147.1134.6160.5-176.70000109.8
99P54.9Low40.4Very low116 Ų116140.3 Ų140.375%0.75378%0.784SS**  trans-92.6155.6178.135.4-34.2000114.5
100P42.8Very low41.1Very low114 Ų114141.5 Ų141.574%0.7478%0.784SS**  trans-125.5-172.6-170.543.5-30.5000116.7
101R41.6Very low41.5Very low220 Ų220144.7 Ų144.783%0.8379%0.786SS**  trans93.6150.4176.9-57.7-176.7171.2-159.5-3.2114.3
102Q43.3Very low41.9Very low166 Ų166150.6 Ų150.678%0.77679%0.79SS**  cis-156.5154.415-145.5161.30.900112.3
103P36.5Very low42.2Very low119 Ų119146.3 Ų146.377%0.77378%0.778SS**  trans-123.1146.1179.339.4-28.1000117
104V44Very low42.5Very low136 Ų136147.5 Ų147.582%0.82478%0.777SS**  trans-154.9111174.1-173.90000107.2
105M38.6Very low42.6Very low157 Ų157144.1 Ų144.177%0.77377%0.772SS**  81.9110.174.5-75.3-71-164.100117.2
106F38.8Very low43Very low182 Ų182144.5 Ų144.580%0.79877%0.772SS**  trans59158.7160.6-74.6-104.3000118.6
107D38Very low42.5Very low143 Ų143146.2 Ų146.277%0.76578%0.775SS**  cis-145.316313-163.546.1000111.2
108P45.4Very low42.2Very low96 Ų96146 Ų14662%0.62377%0.773SS**  trans-118.9159.1-172.140.7-29.7000116.4
109S41.3Very low41.9Very low124 Ų124144.8 Ų144.887%0.86777%0.771SS**  trans-176.3161.8138.6-89.50000114.6
110P48.1Very low41Very low117 Ų117150.2 Ų150.276%0.7678%0.778SS**  trans-123167.7-160.842.1-30.1000116.4
111Q42Very low41Very low200 Ų200150.6 Ų150.694%0.93578%0.781SS**  trans-138.7169.2153.9-103.5-178.810.300112.5
112R41.3Very low40.9Very low208 Ų208145.4 Ų145.479%0.78578%0.778SS**  trans-108.2157.6-158.9-55.9164.3177.6161.5-4112.1
113H40.3Very low40.7Very low148 Ų148148.7 Ų148.769%0.68579%0.785SS**  170.7127.9100.3-92.1-75.9000115.1
114M40.8Very low40.6Very low140 Ų140146.8 Ų146.869%0.6979%0.787SS**  trans59.3105.4138.7-54.7-57.8121.800123.8
115M43.2Very low40.3Very low170 Ų170146 Ų14684%0.83779%0.787SS**  76.1153.5123.6-68.1-82.699.100121.6
116P45.4Very low40.6Very low105 Ų105143.9 Ų143.968%0.68279%0.786SS**  trans-126.6165.9-167.242.5-27.8000116
117N38Very low40.5Very low151 Ų151144.2 Ų144.281%0.80779%0.79SS**  trans-166.3140.2132.3-122.9-8.3000116.7
118V37.7Very low40.3Very low117 Ų117145.1 Ų145.171%0.70979%0.794SS**  trans25.8117.2139.5175.30000120.1
119S37.9Very low40Very low112 Ų112145.9 Ų145.978%0.78380%0.799SS**  -175.6140.1113.1-77.70000113
120Y36.8Very low39.8Very low230 Ų230147.9 Ų147.990%0.90280%0.798SS**  trans-84.5156.3158.7-73.6-94000109.1
121P42.4Very low39.2Very low121 Ų121148.5 Ų148.579%0.78679%0.791SS**  -152.7164.7107.139.3-23000117.5
122S39Very low38.9Very low112 Ų112147 Ų14778%0.78379%0.786SS**  trans67130.6145.9-158.20000122.9
123Y38.2Very low38.6Very low235 Ų235144.1 Ų144.192%0.92278%0.782SS**  trans-44148.7158.2-69.5-101.5000115.5
124G36.3Very low38.3Very low79 Ų79142.5 Ų142.581%0.81479%0.787SS**  trans178.281.816900000114
125S37.6Very low38Very low118 Ų118143.5 Ų143.583%0.82579%0.79SS**  trans-107.2172.8167.1-44.70000109.5
126P43.2Very low37.5Very low114 Ų114143.7 Ų143.774%0.7479%0.793SS**  cis-133.8175.2-4.341.1-25.3000114.6
127Q38.3Very low36.7Very low189 Ų189142.2 Ų142.288%0.88380%0.798SS**  -177.1159.7117.3-98.8-174.27.500112.2
128L33.8Very low36.4Very low162 Ų162140.3 Ų140.385%0.84880%0.795SS**  trans-114.2162.7177.9-66.8165.9000109.1
129P39.2Very low36.1Very low112 Ų112141.3 Ų141.373%0.72780%0.796SS**  -146.4149.694.536.5-20.4000116.2
130L35.5Very low35.7Very low165 Ų165147.5 Ų147.586%0.86480%0.802SS**  trans45146.4130.6-54.6176.6000120.6
131H36.2Very low35.6Very low130 Ų130143 Ų14360%0.60279%0.794SS**  cis-167.8137.7-0.5141.397.2000109.8
132M36.8Very low35.2Very low169 Ų169142.4 Ų142.483%0.83380%0.799SS**  trans-168.7159.4145.5-111.5-62.415700110.3
133Q33.2Very low34.9Very low148 Ų148141.6 Ų141.669%0.69280%0.799SS**  trans-142.6127.2-151.8179174.7-19.700115.5
134S34.1Very low34.5Very low114 Ų114141.1 Ų141.180%0.79780%0.796SS**  trans-156.696.9161.7-169.70000108.9
135Q34.4Very low34.4Very low160 Ų160143 Ų14375%0.74879%0.793SS**  69.172.296.7-68.1-74.617.200115.5
136L32.7Very low34.1Very low174 Ų174142.6 Ų142.691%0.91179%0.786SS**  trans-169.3104.1142.3-104.3177.8000108.8
137G29.9Very low33.6Very low75 Ų75146.5 Ų146.577%0.77379%0.788SS**  trans-158.991.9-173.400000114.2N139G137-N139 PolarHBondContact O-N 3.19Å
138C30.9Very low33.2Very low111 Ų111140.6 Ų140.675%0.7578%0.777SS**  trans-81.3116.1178.1-51.60000111W140C138-W140 PolarHBondContact O-N 3.28Å
139N31.3Very low33.3Very low137 Ų137142.2 Ų142.273%0.73377%0.774SS**  trans-68.3116.3179.7179.911.4000112.1G137 N141G137-N139 PolarHBondContact O-N 3.19Å; N139-N141 VanDerWaalsContact C-N 3.28Å; N139-N141 PolarHBondContact O-N 3.02Å; N139-N141 PolarHBondContact OD1-N 3.13Å
140W30.4Very low33.1Very low242 Ų242142.1 Ų142.192%0.91777%0.773SS**  trans-83.266.4173-83.291.6000112.3C138C138-W140 PolarHBondContact O-N 3.28Å
141N34.7Very low33Very low137 Ų137141.5 Ų141.573%0.73378%0.776SS**  trans-154.9152.8161.7-103.2-52.4000111.4N139N139-N141 VanDerWaalsContact C-N 3.28Å; N139-N141 PolarHBondContact O-N 3.02Å; N139-N141 PolarHBondContact OD1-N 3.13Å
142A32.8Very low32.9Very low107 Ų107142.8 Ų142.888%0.88479%0.787SS**  trans67.260.3175.400000118.2
143A33.7Very low32.5Very low96 Ų96138.6 Ų138.679%0.79379%0.787SS**  trans-145.7117.6147.800000111.2
144R29Very low32.5Very low225 Ų225135.2 Ų135.285%0.84979%0.792SS**  trans-118.2102.9173.5-92.7-175.1165.7-133.84.2110.3T146R144-T146 PolarHBondContact O-N 3.09Å; R144-T146 VanDerWaalsContact O-N 3.14Å
145P35.4Very low32.2Very low117 Ų117134.4 Ų134.476%0.7679%0.792SS**  trans-70.7103159.6-8.725.5000107.8Y147P145-Y147 PolarHBondContact O-N 3.29Å; P145-Y147 VanDerWaalsContact O-N 3.15Å
146T29.9Very low32.2Very low110 Ų110133.1 Ų133.168%0.67580%0.795SS**  trans-88.579.4-177.3-57.20000110.5R144 G148R144-T146 PolarHBondContact O-N 3.09Å; R144-T146 VanDerWaalsContact O-N 3.14Å; T146-G148 PolarHBondContact O-N 2.9Å
147Y34.6Very low32.2Very low197 Ų197132.6 Ų132.677%0.77379%0.788SS**  trans-89.895.5164.8-93.3-76000110.1P145 Y149P145-Y147 PolarHBondContact O-N 3.29Å; P145-Y147 VanDerWaalsContact O-N 3.15Å; Y147-Y149 HydrophobicContact CD1-CE2 4.22Å
148G28.5Very low32.3Very low64 Ų64133.7 Ų133.766%0.6678%0.784SS**  trans-105.4110.4175.700000111.7T146T146-G148 PolarHBondContact O-N 2.9Å
149Y36.6Very low32.2Very low197 Ų197138.5 Ų138.577%0.77379%0.792SS**  trans-107.5130164.2-80.1-75.4000110.2Y147 V151Y147-Y149 HydrophobicContact CD1-CE2 4.22Å; Y149-V151 PolarHBondContact O-N 3.41Å
150P35.5Very low32.2Very low110 Ų110134.4 Ų134.471%0.71478%0.783SS**  trans-80.5117.1-173.630.5-33.6000111.9N152P150-N152 VanDerWaalsContact C-N 3.34Å; P150-N152 PolarHBondContact O-N 2.87Å
151V33.1Very low32.3Very low152 Ų152131.1 Ų131.192%0.92178%0.779SS**  trans-73.288.7169.5-178.90000109.4Y149Y149-V151 PolarHBondContact O-N 3.41Å
152N34.2Very low32.5Very low156 Ų156136 Ų13683%0.83479%0.788SS**  trans-96.9100.8172.7-122.3-9.4000109.5P150 G154P150-N152 VanDerWaalsContact C-N 3.34Å; P150-N152 PolarHBondContact O-N 2.87Å; N152-G154 PolarHBondContact O-N 2.96Å
153G28.9Very low32.5Very low81 Ų81135.8 Ų135.884%0.83578%0.777SS**  trans-78115.717100000110.7
154G31.1Very low32.8Very low77 Ų77139 Ų13979%0.79478%0.781SS**  trans-165.5139.4178.600000112N152N152-G154 PolarHBondContact O-N 2.96Å
155A28.8Very low33Very low97 Ų97131.8 Ų131.880%0.80278%0.777SS**  trans-96.6-176.8176.600000111.5
156V34.6Very low33.1Very low133 Ų133138.4 Ų138.481%0.80679%0.787SS**  trans95.4102.6167.2-168.90000117
157Q33.3Very low33.3Very low163 Ų163139 Ų13976%0.76280%0.796SS**  trans7.2141.2137.2-54.7175.61100121.2
158S30.8Very low33.2Very low99 Ų99134.8 Ų134.869%0.69280%0.795SS**  trans80.3122.4142.2-64.10000121.7
159F29Very low33.7Very low211 Ų211138.6 Ų138.693%0.92581%0.805SS**  trans57.2120.4139.5-83.9-92.6000121.2
160G31Very low33.5Very low52 Ų52137.4 Ų137.454%0.53681%0.806SS.*  trans160.784.716900000109.2
161M33.1Very low33.9Very low172 Ų172137 Ų13785%0.84780%0.804SS**  48.9100.285.4-65.9-9568.400112.8
162W37.6Very low34.1Very low240 Ų240137.6 Ų137.691%0.90980%0.801SS**  trans-119.2127.1163.8-72.565000107.7
163P34.5Very low34.1Very low102 Ų102133.8 Ų133.866%0.66280%0.799SS**  trans-85-173.5163.137.6-33.7000110.7
164D39Very low34.5Very low165 Ų165138.8 Ų138.888%0.88281%0.805SS**  trans69133176.6-48.1-26.7000115.2
165G33.2Very low34.6Very low73 Ų73139.6 Ų139.675%0.75380%0.804SS**  cis161.690.3-4.100000111.9
166R37.2Very low35.1Very low256 Ų256141.9 Ų141.997%0.96681%0.808SS**  trans-137.4140.5168.3-78.4-167.3171.9-124.5-2.9111.3
167S34.1Very low35.2Very low123 Ų123142.4 Ų142.486%0.8681%0.812SS**  trans-79.7152-164.7-47.20000114.1
168S33.5Very low35.4Very low108 Ų108137.9 Ų137.976%0.75581%0.809SS**  trans-69.8151.3175.9-46.20000113.4
169V39.4Very low35.8Very low143 Ų143138.8 Ų138.887%0.86781%0.812SS**  trans-127.1126.9149.5179.80000107.5
170H32.2Very low36.1Very low172 Ų172140.2 Ų140.280%0.79681%0.812SS**  trans-136.6148.7171.4-101.1-65000106.2
171P42.9Very low36.3Very low103 Ų103147 Ų14767%0.66983%0.827SS**  -147.9159.996.937.4-20.9000116.3
172N36.9Very low36.6Very low164 Ų164144.2 Ų144.288%0.87782%0.822SS**  trans50.2123.6146.3-56.1-6.7000120.9
173G34.8Very low36.5Very low75 Ų75142.9 Ų142.977%0.77382%0.823SS**  trans-170.746176.600000118
174L36.8Very low36.6Very low187 Ų187146.3 Ų146.398%0.97983%0.83SS**  trans62.5169.8168.1-65.1165.9000117.4
175A32.7Very low36.2Very low93 Ų93143.9 Ų143.977%0.76983%0.826SS**  trans-139.5141.3-176.600000111.5
176V39.9Very low36.1Very low145 Ų145146.1 Ų146.188%0.87983%0.825SS**  trans-139131.6166.1178.30000108.4
177T37Very low36.1Very low144 Ų144141.1 Ų141.188%0.88382%0.817SS**  trans-110118.8172.750.80000109.7
178G36.7Very low36.3Very low69 Ų69142.2 Ų142.271%0.71181%0.813SS**  trans-122.5155.3177.400000112
179P40.7Very low36.6Very low117 Ų117142.7 Ų142.776%0.7682%0.816SS**  trans-105.3166-143.138.5-36.3000116.6
180R34.5Very low36.6Very low241 Ų241141.3 Ų141.391%0.90981%0.81SS**PPolyproline II helixtrans-71.2142159.2-78.9174.9162166-7.8110.4
181F36.3Very low36.8Very low194 Ų194140.9 Ų140.985%0.85181%0.814SS**PPolyproline II helixtrans-88.5131.5163.9-71.3-88.5000111.4
182P37.9Very low36.3Very low115 Ų115141.9 Ų141.975%0.74782%0.818SS**PPolyproline II helixtrans-99.1141.9151.234.9-26.9000110
183F37Very low36.4Very low212 Ų212140.8 Ų140.893%0.9382%0.817SS**PPolyproline II helixtrans-94.1144.9168.4-121.1-90.2000110.8
184Q35.7Very low36.1Very low174 Ų174141.6 Ų141.681%0.81382%0.817SS**  trans-104.5143.4-167.2-159.3169.7-0.700110.7
185S30.1Very low36.1Very low114 Ų114137.2 Ų137.280%0.79780%0.801SS**  trans-109.1125.8178.554.30000111.1
186T31.6Very low36.1Very low119 Ų119140.4 Ų140.473%0.7380%0.8SS**  trans-149.4122.2171.848.40000109.9
187L36.7Very low35.9Very low152 Ų152139.7 Ų139.780%0.79679%0.792SS**  -173.9150.9124.5-100.5164.7000112.2
188D39.1Very low35.8Very low146 Ų146138.5 Ų138.578%0.78178%0.784SS**  trans68.5159159.7-59.3-33.5000122.3
189S38.8Very low35.7Very low117 Ų117139 Ų13982%0.81878%0.782SS**  trans-126.7165.9-149.5-99.50000112.7
190P40.1Very low35.3Very low114 Ų114140.8 Ų140.874%0.7479%0.785SS**  trans-90.7167.4-155.936-37.7000114.1
191N37.6Very low35.3Very low163 Ų163135.3 Ų135.387%0.87278%0.779SS**  trans-144.2148.2144.3-122.4-34.1000113.7
192T32.2Very low35.2Very low124 Ų124131.5 Ų131.576%0.76177%0.773SS**  trans-83.2154-168.1-37.70000112.4
193V37.6Very low34.9Very low142 Ų142134.3 Ų134.386%0.86178%0.78SS**  169.8148.5124.9156.10000108.9
194A30.1Very low34.5Very low92 Ų92129 Ų12976%0.7677%0.769SS**  trans-133.5149.6-177.800000112.1
195S35.4Very low34.6Very low94 Ų94129.3 Ų129.366%0.65777%0.768SS**  trans-168.3128.9153.3-100.70000105.7
196E33.3Very low34.9Very low160 Ų160130.9 Ų130.975%0.74876%0.763SS**  67.313789.5-64.6170.714600113
197N35Very low35.1Very low131 Ų131131 Ų13170%0.70176%0.763SS**  cis-158.2169.221.9-124-29.6000113.8
198T36Very low35Very low118 Ų118130.2 Ų130.272%0.72476%0.759SS**  trans37110.8146.3-45.70000119.4
199A33.7Very low34.9Very low81 Ų81131.5 Ų131.567%0.66976%0.76SS**  cis101130.844.200000116
200N32.1Very low34.5Very low153 Ų153134.4 Ų134.482%0.81876%0.761SS**  trans58.8119.9153.8-57.4-15.4000122.7
201T35.2Very low33.9Very low127 Ų127134.7 Ų134.778%0.77976%0.763SS**  144.7131.5114.9-55.20000112.8
202P33.1Very low33.6Very low113 Ų113132.9 Ų132.973%0.73476%0.76SS**  trans-99.2148.8175.337.1-32.9000114.2
203I32Very low33.4Very low174 Ų174131.5 Ų131.589%0.89276%0.761SS**  trans-165.5169.3156.1-107.3154.7000110.2
204S30.1Very low33Very low101 Ų101129.6 Ų129.671%0.70675%0.754SS**  trans-111.5176.3-159-44.50000115.9
205K36.9Very low33.1Very low180 Ų180134.3 Ų134.378%0.78376%0.758SS**  trans82153.6170.9-53.9169.3156.8-95.50114.7
206E36.5Very low32.8Very low147 Ų147138 Ų13869%0.68777%0.765SS**  cis-168.2158.9-13.2-106.1166.360.900105.5
207V35.7Very low32.8Very low121 Ų121138.6 Ų138.673%0.73377%0.773SS**  cis-161.9-157-0.460.50000108.4
208L34.2Very low32.6Very low136 Ų136140.3 Ų140.371%0.71277%0.774SS**  trans70.4134.5-170.9-8563.2000114.4
209Q36.7Very low32.3Very low174 Ų174137.6 Ų137.681%0.81377%0.77SS**  cis-150.5151.7-0.4-125.6153.81200109.2
210Q30.1Very low32.4Very low177 Ų177140.7 Ų140.783%0.82778%0.78SS**  trans-130154.2-166.4-75.7-174.4-800115.6
211P29.4Very low32.7Very low121 Ų121143.4 Ų143.479%0.78679%0.785SS**  trans-105.5163.6134.135.2-29.3000112.1
212P29.8Very low33.1Very low124 Ų124143.5 Ų143.581%0.80578%0.776SS**  trans-89.9158.3-147.433.9-38.2000117.4
213A28.1Very low33.9Very low95 Ų95145 Ų14579%0.78577%0.773SS**  trans-93.8112.2-178.100000114.4
214S29.2Very low34.9Very low103 Ų103144.1 Ų144.172%0.7276%0.759SS**  trans-158.8133.1153.361.40000107.5
215F32.4Very low36.7Very low191 Ų191141.7 Ų141.784%0.83874%0.742SS**  cis-108.9143.911-80.9-129.7000112.4
216Q29.8Very low38.3Very low172 Ų172138.7 Ų138.780%0.80473%0.734SS**  trans-87.3167158.2-73.4-178.9-19.700110.6K218Q216-K218 PolarHBondContact O-N 2.87Å
217D32.2Very low39.9Very low172 Ų172134.9 Ų134.992%0.9272%0.717SS**  trans-39.5115.7177.8-84.3-66.7000114.5
218K31.2Very low41.7Very low166 Ų166129.5 Ų129.572%0.72268%0.684SS**  trans-134.8130.7161.1-69.1-169.3176.7-176.40108.7Q216Q216-K218 PolarHBondContact O-N 2.87Å
219G28.9Very low43.8Very low62 Ų62126.8 Ų126.864%0.63967%0.666SS**  trans-67.1141.1-162.900000114.1K221G219-K221 PolarHBondContact O-N 3.46Å
220V36.7Very low45.8Very low145 Ų145122.4 Ų122.488%0.87965%0.646SS**SBendtrans-7468.6-179.9-168.40000111.6
221K38.8Very low48.1Very low210 Ų210114 Ų11491%0.91361%0.607SS**  trans-127.913.8163.7-72.8-172.4175.3178.70111.7G219G219-K221 PolarHBondContact O-N 3.46Å
222E43.2Very low50.5Low129 Ų129109.3 Ų109.360%0.60358%0.576SS**  trans-129.4147.4-179.2-68.8-161.4117.500110.6
223Q50.1Low52.7Low144 Ų144109.3 Ų109.367%0.67357%0.565SS**  cis-124.3132.4-43.2-61.599.66.800107.3S225Q223-S225 PolarHBondContact O-N 2.81Å
224W52.7Low55Low157 Ų157108.3 Ų108.360%0.59554%0.541SS*.  trans-68.4119.5149.8-75.547.3000105.2L228 K229 V232W224-L228 HydrophobicContact CE3-CD2 4.21Å; W224-L228 HydrophobicContact CE3-CG 4.23Å; W224-K229 HydrophobicContact CB-CD 4.5Å; W224-K229 HydrophobicContact CB-CG 3.96Å; W224-K229 WeakPolarHBondContact O-CE 3.44Å; W224-K229 PolarHBondContact O-NZ 2.76Å; W224-V232 HydrophobicContact CZ3-CG2 4.41Å
225S68.8Low57.2Low50 Ų50103.4 Ų103.435%0.3551%0.506SS..  trans-60143.917763.40000109.4Q223 E227 L228 K229Q223-S225 PolarHBondContact O-N 2.81Å; S225-E227 PolarHBondContact O-N 3.08Å; S225-L228 PolarHBondContact O-N 2.91Å; S225-L228 VanDerWaalsContact OG-CB 3.3Å; S225-L228 WeakPolarHBondContact OG-CB 3.41Å; S225-L228 PolarHBondContact OG-N 3.01Å; S225-K229 PolarHBondContact O-N 2.99Å
226D69.2Low59.2Low116 Ų11697.3 Ų97.362%0.6248%0.48SS*.Hα-helixtrans-62.7-27.1-178.9-66.2-52.3000111.7K229 E230D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 WeakPolarHBondContact OD1-CD 3.48Å; D226-K229 IonicContact OD1-NZ 2.65Å; D226-K229 PolarHBondContact OD1-NZ 3.2Å; D226-E230 VanDerWaalsContact O-CB 3.29Å; D226-E230 WeakPolarHBondContact O-CB 3.48Å; D226-E230 PolarHBondContact O-N 3.47Å
227E71.1Confident61.2Low68 Ų6894.4 Ų94.432%0.31848%0.477SS..Hα-helixtrans-63.8-41171.3-45.3-169.5166.700112.8S225 E230 Y231 W268 K269S225-E227 PolarHBondContact O-N 3.08Å; E227-E230 PolarHBondContact O-N 3.12Å; E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.3Å; E227-W268 HydrophobicContact CB-CB 4.07Å; E227-K269 HydrophobicContact CB-CG 4.4Å; E227-K269 HydrophobicContact CG-CD 4.31Å; E227-K269 HydrophobicContact CG-CG 4.28Å; E227-K269 WeakPolarHBondContact OE1-CD 3.5Å; E227-K269 WeakPolarHBondContact OE1-CE 3.47Å; E227-K269 IonicContact OE1-NZ 2.66Å; E227-K269 PolarHBondContact OE1-NZ 2.89Å
228L73.4Confident62.9Low8 Ų889.5 Ų89.54%0.04246%0.457CS..Hα-helixtrans-70.8-41.1174.8171.959.9000111.3W224 S225 E230 Y231 V232 L256 F260 W268W224-L228 HydrophobicContact CE3-CD2 4.21Å; W224-L228 HydrophobicContact CE3-CG 4.23Å; S225-L228 PolarHBondContact O-N 2.91Å; S225-L228 VanDerWaalsContact OG-CB 3.3Å; S225-L228 WeakPolarHBondContact OG-CB 3.41Å; S225-L228 PolarHBondContact OG-N 3.01Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 3.05Å; L228-Y231 PolarHBondContact O-N 2.86Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 WeakPolarHBondContact O-CB 3.46Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.41Å; L228-L256 HydrophobicContact CD1-CD1 4.44Å; L228-L256 HydrophobicContact CD1-CD2 3.48Å; L228-L256 VanDerWaalsContact CD1-CD2 3.48Å; L228-L256 HydrophobicContact CD2-CD2 4.34Å; L228-F260 HydrophobicContact CD2-CZ 4.48Å; L228-W268 HydrophobicContact CD1-CD2 4.33Å; L228-W268 HydrophobicContact CD1-CE3 4.41Å; L228-W268 HydrophobicContact CD1-CZ2 4.44Å
229K77.5Confident64.7Low79 Ų7983 Ų8334%0.34343%0.429SS..Hα-helixtrans-58.3-44.1172.1-64.1176.3-163.2138.10110.4W224 S225 D226 V232 Q233W224-K229 HydrophobicContact CB-CD 4.5Å; W224-K229 HydrophobicContact CB-CG 3.96Å; W224-K229 WeakPolarHBondContact O-CE 3.44Å; W224-K229 PolarHBondContact O-NZ 2.76Å; S225-K229 PolarHBondContact O-N 2.99Å; D226-K229 PolarHBondContact O-N 3.23Å; D226-K229 WeakPolarHBondContact OD1-CD 3.48Å; D226-K229 IonicContact OD1-NZ 2.65Å; D226-K229 PolarHBondContact OD1-NZ 3.2Å; K229-V232 PolarHBondContact O-N 3.07Å; K229-Q233 WeakPolarHBondContact O-CB 3.4Å; K229-Q233 VanDerWaalsContact O-CG 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.38Å; K229-Q233 PolarHBondContact O-N 2.88Å
230E78.3Confident66.4Low81 Ų8188.1 Ų88.138%0.37944%0.442SS..Hα-helixtrans-65.8-44.9179.2-153.7-153.1141.800111.1D226 E227 L228 V232 Q233 R234D226-E230 VanDerWaalsContact O-CB 3.29Å; D226-E230 WeakPolarHBondContact O-CB 3.48Å; D226-E230 PolarHBondContact O-N 3.47Å; E227-E230 PolarHBondContact O-N 3.12Å; L228-E230 VanDerWaalsContact C-N 3.28Å; L228-E230 PolarHBondContact O-N 3.05Å; E230-V232 PolarHBondContact O-N 3.02Å; E230-Q233 CarbonylContact O-C 3.6Å; E230-Q233 PolarHBondContact O-N 3.48Å; E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.49Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 IonicContact OE1-CZ 2.78Å; E230-R234 IonicContact OE1-NE 2.99Å; E230-R234 PolarHBondContact OE1-NE 2.97Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 3.31Å; E230-R234 IonicContact OE2-CZ 2.63Å; E230-R234 IonicContact OE2-NH2 3.89Å; E230-R234 PolarHBondContact OE2-NH2 3.31Å
231Y79.1Confident68.3Low2 Ų284.3 Ų84.31%0.00842%0.419CS..Hα-helixtrans-57.9-47.3175.1-179-98.6000112.3E227 L228 Q233 R234 A235 L252 K255 W268 E271 N272E227-Y231 WeakPolarHBondContact O-CB 3.48Å; E227-Y231 PolarHBondContact O-N 3.3Å; L228-Y231 PolarHBondContact O-N 2.86Å; Y231-Q233 PolarHBondContact O-N 3.03Å; Y231-R234 PolarHBondContact O-N 2.83Å; Y231-A235 WeakPolarHBondContact O-CB 3.49Å; Y231-A235 PolarHBondContact O-N 2.96Å; Y231-L252 HydrophobicContact CD1-CD2 4.3Å; Y231-L252 HydrophobicContact CE1-CD2 3.82Å; Y231-K255 PolarHBondContact OH-NZ 3.09Å; Y231-W268 HydrophobicContact CD1-CE3 4.05Å; Y231-W268 HydrophobicContact CD1-CZ3 4.31Å; Y231-W268 HydrophobicContact CE1-CE3 4.28Å; Y231-W268 HydrophobicContact CE1-CZ3 4.21Å; Y231-W268 HydrophobicContact CG-CE3 4.19Å; Y231-E271 HydrophobicContact CE2-CB 3.91Å; Y231-E271 HydrophobicContact CE2-CG 4.48Å; Y231-E271 WeakPolarHBondContact CE2-OE2 3.37Å; Y231-E271 VanDerWaalsContact OH-CD 3.23Å; Y231-E271 PolarHBondContact OH-OE1 3.25Å; Y231-E271 PolarHBondContact OH-OE2 3.17Å; Y231-N272 PolarHBondContact OH-O 3.2Å
232V79.4Confident70Confident22 Ų2278.5 Ų78.513%0.13341%0.405CS..Hα-helixtrans-64.3-38.8176.3171.30000111.5W224 L228 K229 E230 A235 F236 L252W224-V232 HydrophobicContact CZ3-CG2 4.41Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 WeakPolarHBondContact O-CB 3.46Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.41Å; K229-V232 PolarHBondContact O-N 3.07Å; E230-V232 PolarHBondContact O-N 3.02Å; V232-A235 PolarHBondContact O-N 3.41Å; V232-F236 HydrophobicContact CG1-CD2 3.77Å; V232-F236 HydrophobicContact CG1-CE2 3.75Å; V232-F236 VanDerWaalsContact O-CD2 3.3Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 PolarHBondContact O-N 3.27Å; V232-L252 HydrophobicContact CG1-CD1 4.35Å
233Q76.3Confident71.4Confident124 Ų12477.2 Ų77.258%0.57940%0.399SS*.Hα-helixtrans-66.1-46.5174.2-77176.87.900112.1K229 E230 Y231 A235 F236 C237K229-Q233 WeakPolarHBondContact O-CB 3.4Å; K229-Q233 VanDerWaalsContact O-CG 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.38Å; K229-Q233 PolarHBondContact O-N 2.88Å; E230-Q233 CarbonylContact O-C 3.6Å; E230-Q233 PolarHBondContact O-N 3.48Å; Y231-Q233 PolarHBondContact O-N 3.03Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; Q233-A235 PolarHBondContact O-N 3.04Å; Q233-F236 PolarHBondContact O-N 3.48Å; Q233-C237 VanDerWaalsContact O-CB 3.26Å; Q233-C237 WeakPolarHBondContact O-CB 3.43Å; Q233-C237 PolarHBondContact O-N 3Å; Q233-C237 PolarHBondContact O-SG 2.86Å
234R76.9Confident72.6Confident73 Ų7372.1 Ų72.128%0.27538%0.375SS..Hα-helixtrans-56.9-44.1174.6-70.1179.5-153.5160.41.9110.8E230 Y231 C237 S238 K269 I273E230-R234 WeakPolarHBondContact O-CB 3.39Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.49Å; E230-R234 PolarHBondContact O-N 3.04Å; E230-R234 IonicContact OE1-CZ 2.78Å; E230-R234 IonicContact OE1-NE 2.99Å; E230-R234 PolarHBondContact OE1-NE 2.97Å; E230-R234 IonicContact OE1-NH2 2.69Å; E230-R234 PolarHBondContact OE1-NH2 3.31Å; E230-R234 IonicContact OE2-CZ 2.63Å; E230-R234 IonicContact OE2-NH2 3.89Å; E230-R234 PolarHBondContact OE2-NH2 3.31Å; Y231-R234 PolarHBondContact O-N 2.83Å; R234-C237 PolarHBondContact O-N 3.26Å; R234-S238 PolarHBondContact O-N 3.15Å; R234-S238 VanDerWaalsContact O-N 3.13Å; R234-K269 PolarHBondContact NH1-O 3.26Å; R234-K269 VanDerWaalsContact NH1-O 3.07Å; R234-I273 HydrophobicContact CB-CD1 3.91Å; R234-I273 HydrophobicContact CB-CG1 4.47Å
235A74.9Confident73.7Confident0 Ų069.4 Ų69.40%037%0.367CS..Hα-helixtrans-62.7-46.6178.500000112.4Y231 V232 Q233 S238 M248 L252 I273Y231-A235 WeakPolarHBondContact O-CB 3.49Å; Y231-A235 PolarHBondContact O-N 2.96Å; V232-A235 PolarHBondContact O-N 3.41Å; Q233-A235 VanDerWaalsContact C-N 3.29Å; Q233-A235 PolarHBondContact O-N 3.04Å; A235-S238 PolarHBondContact O-N 3.47Å; A235-S238 PolarHBondContact O-OG 3.21Å; A235-M248 HydrophobicContact CB-CE 4.24Å; A235-M248 HydrophobicContact CB-CG 4.29Å; A235-M248 HydrophobicContact CB-SD 3.91Å; A235-L252 HydrophobicContact CB-CD1 4.04Å; A235-L252 HydrophobicContact CB-CD2 4.17Å; A235-I273 HydrophobicContact CB-CG2 4.16Å
236F75.5Confident74.2Confident63 Ų6371.4 Ų71.428%0.27637%0.374SS..Hα-helixtrans-72.7-27.8175.1-76.6-59.2000114V232 Q233 S238 K245 M248 E249 L252V232-F236 HydrophobicContact CG1-CD2 3.77Å; V232-F236 HydrophobicContact CG1-CE2 3.75Å; V232-F236 VanDerWaalsContact O-CD2 3.3Å; V232-F236 WeakPolarHBondContact O-CD2 3.47Å; V232-F236 PolarHBondContact O-N 3.27Å; Q233-F236 PolarHBondContact O-N 3.48Å; F236-S238 PolarHBondContact O-N 3.2Å; F236-K245 HydrophobicContact CD1-CG 3.87Å; F236-K245 HydrophobicContact CE1-CG 3.73Å; F236-M248 HydrophobicContact CD1-CG 4.27Å; F236-M248 HydrophobicContact CE1-CB 4.28Å; F236-M248 HydrophobicContact CE1-CG 4.19Å; F236-E249 HydrophobicContact CE1-CB 4.38Å; F236-E249 HydrophobicContact CZ-CB 4.14Å; F236-E249 HydrophobicContact CZ-CG 4.42Å; F236-L252 HydrophobicContact CD2-CD1 4.35Å; F236-L252 HydrophobicContact CE2-CD1 3.86Å; F236-L252 HydrophobicContact CZ-CD1 4.03Å
237C71.3Confident74.4Confident111 Ų11168.8 Ų68.875%0.7536%0.358SS*.Hα-helixtrans-75.9-9.1174.3-66.90000113.5Q233 R234 I239Q233-C237 VanDerWaalsContact O-CB 3.26Å; Q233-C237 WeakPolarHBondContact O-CB 3.43Å; Q233-C237 PolarHBondContact O-N 3Å; Q233-C237 PolarHBondContact O-SG 2.86Å; R234-C237 PolarHBondContact O-N 3.26Å; C237-I239 VanDerWaalsContact C-N 3.27Å
238S68.2Low74.7Confident70 Ų7065.6 Ų65.649%0.4934%0.343SS..THydrogen-bonded Turntrans-85.67.1174.871.70000114R234 A235 F236R234-S238 PolarHBondContact O-N 3.15Å; R234-S238 VanDerWaalsContact O-N 3.13Å; A235-S238 PolarHBondContact O-N 3.47Å; A235-S238 PolarHBondContact O-OG 3.21Å; F236-S238 PolarHBondContact O-N 3.2Å
239I68Low75.1Confident28 Ų2868.9 Ų68.914%0.14436%0.359CS..  trans-135.4126.6-167.2-68.2170.7000111.8C237 T241 E244 K245 M248 I276C237-I239 VanDerWaalsContact C-N 3.27Å; I239-T241 WeakPolarHBondContact CG2-O 3.31Å; I239-E244 HydrophobicContact CD1-CB 4.38Å; I239-E244 HydrophobicContact CG1-CB 4.37Å; I239-E244 HydrophobicContact CG2-CB 3.48Å; I239-E244 VanDerWaalsContact CG2-CB 3.48Å; I239-K245 HydrophobicContact CG2-CB 4.43Å; I239-M248 HydrophobicContact CD1-CB 3.37Å; I239-M248 HydrophobicContact CD1-CE 3.77Å; I239-M248 HydrophobicContact CD1-CG 3.71Å; I239-I276 HydrophobicContact CD1-CD1 3.89Å
240D65.4Low75.3Confident170 Ų17072.4 Ų72.491%0.90937%0.37SS*.  trans-98.1-18.8177.7-69-47.4000113.9
241T75.6Confident75.4Confident66 Ų6671 Ų7141%0.40536%0.364SS..SBendtrans-112150.4-173.282.60000114.7I239 E243 E244 K245I239-T241 WeakPolarHBondContact CG2-O 3.31Å; T241-E243 PolarHBondContact O-N 3.28Å; T241-E244 VanDerWaalsContact CB-OE2 3.31Å; T241-E244 WeakPolarHBondContact CB-OE2 3.4Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.2Å; T241-E244 PolarHBondContact N-OE2 2.93Å; T241-E244 PolarHBondContact O-N 2.62Å; T241-E244 WeakPolarHBondContact OG1-CB 3.37Å; T241-E244 VanDerWaalsContact OG1-CG 3.26Å; T241-E244 WeakPolarHBondContact OG1-CG 3.39Å; T241-E244 PolarHBondContact OG1-N 3.04Å; T241-E244 PolarHBondContact OG1-OE2 3.19Å; T241-K245 PolarHBondContact O-N 3.01Å
242S75.8Confident75.6Confident87 Ų8771.3 Ų71.361%0.60837%0.366SS*.Hα-helixtrans-67.4-32.4-179.2-161.20000113.4K245 D246S242-K245 WeakPolarHBondContact O-CB 3.42Å; S242-K245 PolarHBondContact O-N 3.26Å; S242-D246 PolarHBondContact O-N 2.81Å
243E71.7Confident75.7Confident102 Ų10275.5 Ų75.548%0.47738%0.382SS..Hα-helixtrans-73.1-35-179.3-63.9-177.8112.100112T241 Q247 R285T241-E243 PolarHBondContact O-N 3.28Å; E243-Q247 WeakPolarHBondContact O-CG 3.27Å; E243-Q247 PolarHBondContact O-N 3.49Å; E243-R285 IonicContact OE1-CZ 3.96Å; E243-R285 VanDerWaalsContact OE1-CZ 3.26Å; E243-R285 IonicContact OE1-NH1 3.79Å; E243-R285 PolarHBondContact OE1-NH1 3.36Å; E243-R285 IonicContact OE1-NH2 3.65Å; E243-R285 PolarHBondContact OE1-NH2 3.04Å; E243-R285 IonicContact OE2-CZ 3.7Å; E243-R285 IonicContact OE2-NH1 3.47Å; E243-R285 PolarHBondContact OE2-NH1 2.78Å; E243-R285 IonicContact OE2-NH2 3.64Å
244E74.8Confident75.9Confident37 Ų3775.4 Ų75.417%0.17338%0.382CS..Hα-helixtrans-70.4-35.8172.1-69.5162.8149.200111.1I239 T241 D246 Q247 M248 I276 S278I239-E244 HydrophobicContact CD1-CB 4.38Å; I239-E244 HydrophobicContact CG1-CB 4.37Å; I239-E244 HydrophobicContact CG2-CB 3.48Å; I239-E244 VanDerWaalsContact CG2-CB 3.48Å; T241-E244 VanDerWaalsContact CB-OE2 3.31Å; T241-E244 WeakPolarHBondContact CB-OE2 3.4Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.2Å; T241-E244 PolarHBondContact N-OE2 2.93Å; T241-E244 PolarHBondContact O-N 2.62Å; T241-E244 WeakPolarHBondContact OG1-CB 3.37Å; T241-E244 VanDerWaalsContact OG1-CG 3.26Å; T241-E244 WeakPolarHBondContact OG1-CG 3.39Å; T241-E244 PolarHBondContact OG1-N 3.04Å; T241-E244 PolarHBondContact OG1-OE2 3.19Å; E244-D246 PolarHBondContact O-N 3.33Å; E244-Q247 WeakPolarHBondContact O-CB 3.38Å; E244-Q247 PolarHBondContact O-N 3.24Å; E244-M248 WeakPolarHBondContact O-CB 3.38Å; E244-M248 PolarHBondContact O-N 3.42Å; E244-I276 HydrophobicContact CB-CD1 4.45Å; E244-I276 WeakPolarHBondContact O-CD1 3.49Å; E244-S278 WeakPolarHBondContact OE1-CB 3.42Å; E244-S278 PolarHBondContact OE1-OG 3.04Å
245K76.6Confident75.7Confident100 Ų10074.5 Ų74.544%0.43538%0.38SS..Hα-helixtrans-59.8-46.2176.1-170.3-166172.4-165.20111.5F236 I239 T241 S242 Q247 M248 E249F236-K245 HydrophobicContact CD1-CG 3.87Å; F236-K245 HydrophobicContact CE1-CG 3.73Å; I239-K245 HydrophobicContact CG2-CB 4.43Å; T241-K245 PolarHBondContact O-N 3.01Å; S242-K245 WeakPolarHBondContact O-CB 3.42Å; S242-K245 PolarHBondContact O-N 3.26Å; K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 PolarHBondContact O-N 3.44Å; K245-M248 PolarHBondContact O-N 2.65Å; K245-E249 PolarHBondContact O-N 3.01Å
246D78.7Confident76Confident93 Ų9375.7 Ų75.750%0.49739%0.386SS..Hα-helixtrans-65.9-29.6178.6-64.7-6.5000112.1S242 E244 R250S242-D246 PolarHBondContact O-N 2.81Å; E244-D246 PolarHBondContact O-N 3.33Å; D246-R250 PolarHBondContact O-N 2.96Å
247Q73.3Confident76.1Confident61 Ų6177.9 Ų77.929%0.28540%0.397SS..Hα-helixtrans-73.5-43172.3-70.617524.400111.8E243 E244 K245 R250 I251 I276E243-Q247 WeakPolarHBondContact O-CG 3.27Å; E243-Q247 PolarHBondContact O-N 3.49Å; E244-Q247 WeakPolarHBondContact O-CB 3.38Å; E244-Q247 PolarHBondContact O-N 3.24Å; K245-Q247 VanDerWaalsContact C-N 3.26Å; K245-Q247 PolarHBondContact O-N 3.44Å; Q247-R250 WeakPolarHBondContact O-CB 3.4Å; Q247-R250 PolarHBondContact O-N 2.9Å; Q247-I251 WeakPolarHBondContact O-CG1 3.03Å; Q247-I251 PolarHBondContact O-N 2.76Å; Q247-I276 HydrophobicContact CB-CD1 3.99Å
248M78.1Confident76.2Confident1 Ų177.3 Ų77.31%0.00538%0.38CS..Hα-helixtrans-63.9-41.7176.4-175.156.180.300111.8A235 F236 I239 E244 K245 R250 I251 L252 I273 P274 I276A235-M248 HydrophobicContact CB-CE 4.24Å; A235-M248 HydrophobicContact CB-CG 4.29Å; A235-M248 HydrophobicContact CB-SD 3.91Å; F236-M248 HydrophobicContact CD1-CG 4.27Å; F236-M248 HydrophobicContact CE1-CB 4.28Å; F236-M248 HydrophobicContact CE1-CG 4.19Å; I239-M248 HydrophobicContact CD1-CB 3.37Å; I239-M248 HydrophobicContact CD1-CE 3.77Å; I239-M248 HydrophobicContact CD1-CG 3.71Å; E244-M248 WeakPolarHBondContact O-CB 3.38Å; E244-M248 PolarHBondContact O-N 3.42Å; K245-M248 PolarHBondContact O-N 2.65Å; M248-R250 PolarHBondContact O-N 3.04Å; M248-I251 PolarHBondContact O-N 3.08Å; M248-L252 HydrophobicContact CG-CD1 3.78Å; M248-L252 HydrophobicContact CG-CG 4.13Å; M248-L252 VanDerWaalsContact O-CB 3.32Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 VanDerWaalsContact O-CG 3.27Å; M248-L252 WeakPolarHBondContact O-CG 3.43Å; M248-L252 PolarHBondContact O-N 3.38Å; M248-L252 HydrophobicContact SD-CD1 4.07Å; M248-L252 HydrophobicContact SD-CD2 4.33Å; M248-L252 HydrophobicContact SD-CG 3.85Å; M248-I273 HydrophobicContact CE-CG2 4.18Å; M248-P274 HydrophobicContact CE-CG 4.05Å; M248-P274 WeakPolarHBondContact CE-O 3.45Å; M248-P274 HydrophobicContact SD-CG 3.86Å; M248-I276 HydrophobicContact CB-CD1 3.88Å; M248-I276 HydrophobicContact CE-CD1 4.08Å; M248-I276 HydrophobicContact CE-CG1 4.29Å
249E82.6Confident76.7Confident77 Ų7775 Ų7536%0.3636%0.363SS..Hα-helixtrans-59.4-37.7175.7-167.6-175.7125.100111.6F236 K245 K253F236-E249 HydrophobicContact CE1-CB 4.38Å; F236-E249 HydrophobicContact CZ-CB 4.14Å; F236-E249 HydrophobicContact CZ-CG 4.42Å; K245-E249 PolarHBondContact O-N 3.01Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.35Å; E249-K253 VanDerWaalsContact O-CG 3.25Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 2.67Å; E249-K253 WeakPolarHBondContact OE1-CE 3.17Å; E249-K253 IonicContact OE1-NZ 3.7Å; E249-K253 PolarHBondContact OE1-NZ 2.7Å
250R80.9Confident77.1Confident153 Ų15380.7 Ų80.758%0.57739%0.387SS*.Hα-helixtrans-68.2-49175.4-167.9-178.4-52.8158.510.1112.2D246 Q247 M248 L252 K253 E254D246-R250 PolarHBondContact O-N 2.96Å; Q247-R250 WeakPolarHBondContact O-CB 3.4Å; Q247-R250 PolarHBondContact O-N 2.9Å; M248-R250 PolarHBondContact O-N 3.04Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.87Å; R250-K253 PolarHBondContact O-N 3.36Å; R250-E254 WeakPolarHBondContact CG-OE1 3.07Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.93Å
251I80.7Confident77.4Confident52 Ų5281.7 Ų81.727%0.26738%0.378SS..Hα-helixtrans-62.8-40.1179.9-65.5162.7000110.9Q247 M248 E254 K255 P274 I276Q247-I251 WeakPolarHBondContact O-CG1 3.03Å; Q247-I251 PolarHBondContact O-N 2.76Å; M248-I251 PolarHBondContact O-N 3.08Å; I251-E254 PolarHBondContact O-N 3.12Å; I251-K255 WeakPolarHBondContact O-CB 3.33Å; I251-K255 PolarHBondContact O-N 3.5Å; I251-P274 HydrophobicContact CG2-CB 3.87Å; I251-P274 HydrophobicContact CG2-CG 3.79Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I251-I276 HydrophobicContact CD1-CG1 4Å
252L82.5Confident77Confident7 Ų782.3 Ų82.34%0.03738%0.379CS..Hα-helixtrans-66.4-40174.9-71.3173.6000112Y231 V232 A235 F236 M248 R250 L256Y231-L252 HydrophobicContact CD1-CD2 4.3Å; Y231-L252 HydrophobicContact CE1-CD2 3.82Å; V232-L252 HydrophobicContact CG1-CD1 4.35Å; A235-L252 HydrophobicContact CB-CD1 4.04Å; A235-L252 HydrophobicContact CB-CD2 4.17Å; F236-L252 HydrophobicContact CD2-CD1 4.35Å; F236-L252 HydrophobicContact CE2-CD1 3.86Å; F236-L252 HydrophobicContact CZ-CD1 4.03Å; M248-L252 HydrophobicContact CG-CD1 3.78Å; M248-L252 HydrophobicContact CG-CG 4.13Å; M248-L252 VanDerWaalsContact O-CB 3.32Å; M248-L252 WeakPolarHBondContact O-CB 3.2Å; M248-L252 VanDerWaalsContact O-CG 3.27Å; M248-L252 WeakPolarHBondContact O-CG 3.43Å; M248-L252 PolarHBondContact O-N 3.38Å; M248-L252 HydrophobicContact SD-CD1 4.07Å; M248-L252 HydrophobicContact SD-CD2 4.33Å; M248-L252 HydrophobicContact SD-CG 3.85Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.87Å; L252-L256 VanDerWaalsContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 3.48Å
253K81.3Confident76.5Confident110 Ų11085.1 Ų85.148%0.47839%0.387SS..Hα-helixtrans-62-48.7173.5-79.3168.9175172.30111.7E249 R250 K255 L256 E257E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.35Å; E249-K253 VanDerWaalsContact O-CG 3.25Å; E249-K253 WeakPolarHBondContact O-CG 3.41Å; E249-K253 PolarHBondContact O-N 2.67Å; E249-K253 WeakPolarHBondContact OE1-CE 3.17Å; E249-K253 IonicContact OE1-NZ 3.7Å; E249-K253 PolarHBondContact OE1-NZ 2.7Å; R250-K253 PolarHBondContact O-N 3.36Å; K253-K255 PolarHBondContact O-N 2.83Å; K253-L256 PolarHBondContact O-N 3.44Å; K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å
254E80.3Confident76.5Confident122 Ų12283.3 Ų83.357%0.5738%0.38SS*.Hα-helixtrans-60.4-45.1177.8-72.3170.5-16400111.7R250 I251 Y258R250-E254 WeakPolarHBondContact CG-OE1 3.07Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.93Å; I251-E254 PolarHBondContact O-N 3.12Å; E254-Y258 VanDerWaalsContact O-CB 3.24Å; E254-Y258 WeakPolarHBondContact O-CB 3.21Å; E254-Y258 PolarHBondContact O-N 3.43Å
255K74.2Confident76.3Confident55 Ų5591.4 Ų91.424%0.23942%0.415CS..Hα-helixtrans-60.6-46.8173.4-83.8-162.5173.3-1650112.9Y231 I251 K253 Y258 V259 E271Y231-K255 PolarHBondContact OH-NZ 3.09Å; I251-K255 WeakPolarHBondContact O-CB 3.33Å; I251-K255 PolarHBondContact O-N 3.5Å; K253-K255 PolarHBondContact O-N 2.83Å; K255-Y258 PolarHBondContact O-N 2.86Å; K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3Å; K255-E271 IonicContact NZ-OE1 2.81Å; K255-E271 PolarHBondContact NZ-OE1 3.47Å; K255-E271 IonicContact NZ-OE2 3.35Å
256L79.6Confident75.7Confident24 Ų2488.3 Ų88.313%0.12640%0.404CS..Hα-helixtrans-71.2-43.7-175.7-70.1169.2000111.7L228 L252 K253 Y258 V259 F260 W268L228-L256 HydrophobicContact CD1-CD1 4.44Å; L228-L256 HydrophobicContact CD1-CD2 3.48Å; L228-L256 VanDerWaalsContact CD1-CD2 3.48Å; L228-L256 HydrophobicContact CD2-CD2 4.34Å; L252-L256 VanDerWaalsContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CD1 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.24Å; L252-L256 PolarHBondContact O-N 3.48Å; K253-L256 PolarHBondContact O-N 3.44Å; L256-Y258 PolarHBondContact O-N 3.1Å; L256-V259 PolarHBondContact O-N 3.19Å; L256-F260 HydrophobicContact CB-CD2 4.3Å; L256-F260 HydrophobicContact CB-CE2 4.29Å; L256-F260 HydrophobicContact CD2-CE2 4.37Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.48Å; L256-F260 PolarHBondContact O-N 3.47Å; L256-W268 HydrophobicContact CD2-CH2 3.66Å; L256-W268 HydrophobicContact CD2-CZ2 4.15Å; L256-W268 HydrophobicContact CD2-CZ3 4.28Å
257E77.9Confident75.3Confident110 Ų11089.5 Ų89.551%0.51441%0.41SS..Hα-helixtrans-56.7-40.9170.7-77.4-171.6-148.700111.5K253 R261K253-E257 WeakPolarHBondContact O-CB 3.36Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å; E257-R261 WeakPolarHBondContact O-CB 3.08Å; E257-R261 PolarHBondContact O-N 3.21Å
258Y74.7Confident75Confident99 Ų9987.9 Ų87.939%0.38840%0.402SS..Hα-helixtrans-64.6-46.7176.9-176-85.3000112.5Y30 E254 K255 L256 N262 I264Y30-Y258 HydrophobicContact CE2-CE1 4.03Å; Y30-Y258 AromaticContact CE2-CZ 3.77Å; Y30-Y258 WeakPolarHBondContact CE2-OH 3.12Å; Y30-Y258 AromaticContact CZ-CE1 3.98Å; Y30-Y258 WeakPolarHBondContact OH-CE1 3.45Å; Y30-Y258 PolarHBondContact OH-OH 2.94Å; E254-Y258 VanDerWaalsContact O-CB 3.24Å; E254-Y258 WeakPolarHBondContact O-CB 3.21Å; E254-Y258 PolarHBondContact O-N 3.43Å; K255-Y258 PolarHBondContact O-N 2.86Å; L256-Y258 PolarHBondContact O-N 3.1Å; Y258-N262 WeakPolarHBondContact CD2-ND2 3.37Å; Y258-N262 WeakPolarHBondContact CE2-ND2 3.46Å; Y258-N262 VanDerWaalsContact CZ-ND2 3.25Å; Y258-N262 WeakPolarHBondContact O-CB 3.02Å; Y258-N262 PolarHBondContact O-N 3.36Å; Y258-N262 VanDerWaalsContact O-N 3.12Å; Y258-N262 PolarHBondContact O-ND2 3.19Å; Y258-I264 HydrophobicContact CD1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CD1 3.51Å
259V78.5Confident74.2Confident22 Ų2293.6 Ų93.613%0.13343%0.426CS..Hα-helixtrans-68.5-42.1-179.3173.10000111.7K255 L256 N263 I264 V266 W268K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 3Å; L256-V259 PolarHBondContact O-N 3.19Å; V259-N263 PolarHBondContact O-N 2.72Å; V259-I264 HydrophobicContact CG1-CB 4.44Å; V259-I264 WeakPolarHBondContact CG1-O 3Å; V259-I264 PolarHBondContact O-N 2.86Å; V259-V266 HydrophobicContact CG1-CG2 3.95Å; V259-V266 HydrophobicContact CG2-CG2 3.88Å; V259-W268 HydrophobicContact CB-CH2 4.16Å; V259-W268 HydrophobicContact CB-CZ2 4.34Å; V259-W268 HydrophobicContact CG1-CH2 4.07Å; V259-W268 HydrophobicContact CG1-CZ2 3.77Å; V259-W268 HydrophobicContact CG2-CH2 3.99Å
260F75.6Confident73.2Confident147 Ų14795.1 Ų95.165%0.64544%0.441SS*.Hα-helixtrans-66.5-42175.5-75-60.1000112.5L228 L256 N262 N263L228-F260 HydrophobicContact CD2-CZ 4.48Å; L256-F260 HydrophobicContact CB-CD2 4.3Å; L256-F260 HydrophobicContact CB-CE2 4.29Å; L256-F260 HydrophobicContact CD2-CE2 4.37Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.48Å; L256-F260 PolarHBondContact O-N 3.47Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 3.44Å; F260-N263 PolarHBondContact O-N 2.94Å
261R71.6Confident72.3Confident190 Ų19090.6 Ų90.672%0.71743%0.427SS*.Hα-helixtrans-67.6-31.3-179.7-177.5174.8-76.2135.81113E257E257-R261 WeakPolarHBondContact O-CB 3.08Å; E257-R261 PolarHBondContact O-N 3.21Å
262N67Low71.5Confident80 Ų8094.7 Ų94.743%0.42845%0.449SS..Hα-helixtrans-101.11.5-179.2-61.7-66.5000113.9Y258 F260 I264Y258-N262 WeakPolarHBondContact CD2-ND2 3.37Å; Y258-N262 WeakPolarHBondContact CE2-ND2 3.46Å; Y258-N262 VanDerWaalsContact CZ-ND2 3.25Å; Y258-N262 WeakPolarHBondContact O-CB 3.02Å; Y258-N262 PolarHBondContact O-N 3.36Å; Y258-N262 VanDerWaalsContact O-N 3.12Å; Y258-N262 PolarHBondContact O-ND2 3.19Å; F260-N262 VanDerWaalsContact C-N 3.33Å; F260-N262 PolarHBondContact O-N 3.44Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 HydrophobicContact CB-CD1 3.75Å; N262-I264 HydrophobicContact CB-CG1 3.74Å; N262-I264 PolarHBondContact O-N 3.47Å
263N66Low70.6Confident146 Ų14697.2 Ų97.278%0.78146%0.462SS*.THydrogen-bonded Turntrans50.540.5-179.6-162.117.3000114V259 F260V259-N263 PolarHBondContact O-N 2.72Å; F260-N263 PolarHBondContact O-N 2.94Å
264I71.6Confident69.7Low64 Ų6493.1 Ų93.133%0.32845%0.447SS..  trans-82.2128.1-174.8-59.1171.2000109.5Y258 V259 N262 V266Y258-I264 HydrophobicContact CD1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CD1 3.51Å; V259-I264 HydrophobicContact CG1-CB 4.44Å; V259-I264 WeakPolarHBondContact CG1-O 3Å; V259-I264 PolarHBondContact O-N 2.86Å; N262-I264 VanDerWaalsContact C-N 3.26Å; N262-I264 HydrophobicContact CB-CD1 3.75Å; N262-I264 HydrophobicContact CB-CG1 3.74Å; N262-I264 PolarHBondContact O-N 3.47Å; I264-V266 HydrophobicContact CB-CG2 4.27Å; I264-V266 HydrophobicContact CG2-CG2 3.73Å; I264-V266 PolarHBondContact O-N 3.1Å
265K70.3Confident68.5Low206 Ų20693.6 Ų93.690%0.89646%0.458SS*.  trans-74.6103.5169.2-64.9-175.9179.6-177.40109
266V64.7Low67.7Low35 Ų3592 Ų9221%0.21245%0.452CS..  trans-109126.5177.1-178.90000109.4V259 I264 W268 E271V259-V266 HydrophobicContact CG1-CG2 3.95Å; V259-V266 HydrophobicContact CG2-CG2 3.88Å; I264-V266 HydrophobicContact CB-CG2 4.27Å; I264-V266 HydrophobicContact CG2-CG2 3.73Å; I264-V266 PolarHBondContact O-N 3.1Å; V266-W268 VanDerWaalsContact C-N 3.35Å; V266-W268 HydrophobicContact CB-CD2 4.43Å; V266-W268 HydrophobicContact CB-CZ2 4.27Å; V266-W268 HydrophobicContact CG1-CD2 4.27Å; V266-W268 HydrophobicContact CG1-CE3 4.14Å; V266-W268 HydrophobicContact CG1-CZ3 4.29Å; V266-W268 VanDerWaalsContact O-CD1 3.27Å; V266-W268 PolarHBondContact O-N 3.47Å; V266-W268 PolarHBondContact O-NE1 2.92Å; V266-E271 HydrophobicContact CG1-CB 4.41Å; V266-E271 HydrophobicContact CG1-CG 4.37Å
267D68.9Low66.6Low118 Ų11895.3 Ų95.363%0.63148%0.475SS*.  trans-77.683.2174.5-66.5-26.3000110.1K269 T270 E271D267-K269 PolarHBondContact O-N 2.99Å; D267-T270 PolarHBondContact O-N 3.25Å; D267-E271 PolarHBondContact O-N 2.91Å
268W67.8Low65.6Low28 Ų2891.9 Ų91.911%0.10646%0.463CS..THydrogen-bonded Turntrans-55.1-23.6-175.9-58.7106.6000114.7E227 L228 Y231 L256 V259 V266 T270E227-W268 HydrophobicContact CB-CB 4.07Å; L228-W268 HydrophobicContact CD1-CD2 4.33Å; L228-W268 HydrophobicContact CD1-CE3 4.41Å; L228-W268 HydrophobicContact CD1-CZ2 4.44Å; Y231-W268 HydrophobicContact CD1-CE3 4.05Å; Y231-W268 HydrophobicContact CD1-CZ3 4.31Å; Y231-W268 HydrophobicContact CE1-CE3 4.28Å; Y231-W268 HydrophobicContact CE1-CZ3 4.21Å; Y231-W268 HydrophobicContact CG-CE3 4.19Å; L256-W268 HydrophobicContact CD2-CH2 3.66Å; L256-W268 HydrophobicContact CD2-CZ2 4.15Å; L256-W268 HydrophobicContact CD2-CZ3 4.28Å; V259-W268 HydrophobicContact CB-CH2 4.16Å; V259-W268 HydrophobicContact CB-CZ2 4.34Å; V259-W268 HydrophobicContact CG1-CH2 4.07Å; V259-W268 HydrophobicContact CG1-CZ2 3.77Å; V259-W268 HydrophobicContact CG2-CH2 3.99Å; V266-W268 VanDerWaalsContact C-N 3.35Å; V266-W268 HydrophobicContact CB-CD2 4.43Å; V266-W268 HydrophobicContact CB-CZ2 4.27Å; V266-W268 HydrophobicContact CG1-CD2 4.27Å; V266-W268 HydrophobicContact CG1-CE3 4.14Å; V266-W268 HydrophobicContact CG1-CZ3 4.29Å; V266-W268 VanDerWaalsContact O-CD1 3.27Å; V266-W268 PolarHBondContact O-N 3.47Å; V266-W268 PolarHBondContact O-NE1 2.92Å; W268-T270 VanDerWaalsContact C-N 3.3Å; W268-T270 PolarHBondContact O-N 2.89Å
269K61.4Low64.2Low120 Ų12097.7 Ų97.752%0.52248%0.484SS..THydrogen-bonded Turntrans-63.1-35171.8-81.4167.9168.4156.80112.9E227 R234 D267E227-K269 HydrophobicContact CB-CG 4.4Å; E227-K269 HydrophobicContact CG-CD 4.31Å; E227-K269 HydrophobicContact CG-CG 4.28Å; E227-K269 WeakPolarHBondContact OE1-CD 3.5Å; E227-K269 WeakPolarHBondContact OE1-CE 3.47Å; E227-K269 IonicContact OE1-NZ 2.66Å; E227-K269 PolarHBondContact OE1-NZ 2.89Å; R234-K269 PolarHBondContact NH1-O 3.26Å; R234-K269 VanDerWaalsContact NH1-O 3.07Å; D267-K269 PolarHBondContact O-N 2.99Å
270T60.7Low62.7Low109 Ų10999.1 Ų99.167%0.66950%0.498SS*.THydrogen-bonded Turntrans-105.9-15.4-167.7-35.40000113.2D267 W268D267-T270 PolarHBondContact O-N 3.25Å; W268-T270 VanDerWaalsContact C-N 3.3Å; W268-T270 PolarHBondContact O-N 2.89Å
271E63.7Low61.3Low58 Ų5895.6 Ų95.627%0.27149%0.486SS..SBendtrans-69.3140.1-179.1-151.9-153.7164.700112.4Y231 K255 V266 D267Y231-E271 HydrophobicContact CE2-CB 3.91Å; Y231-E271 HydrophobicContact CE2-CG 4.48Å; Y231-E271 WeakPolarHBondContact CE2-OE2 3.37Å; Y231-E271 VanDerWaalsContact OH-CD 3.23Å; Y231-E271 PolarHBondContact OH-OE1 3.25Å; Y231-E271 PolarHBondContact OH-OE2 3.17Å; K255-E271 IonicContact NZ-OE1 2.81Å; K255-E271 PolarHBondContact NZ-OE1 3.47Å; K255-E271 IonicContact NZ-OE2 3.35Å; V266-E271 HydrophobicContact CG1-CB 4.41Å; V266-E271 HydrophobicContact CG1-CG 4.37Å; D267-E271 PolarHBondContact O-N 2.91Å
272N62.8Low60Low138 Ų13889.4 Ų89.474%0.73848%0.475SS*.PPolyproline II helixtrans-73.7138.8177.7-71.3-70.3000111.9Y231Y231-N272 PolarHBondContact OH-O 3.2Å
273I64.2Low58.9Low60 Ų6088.9 Ų88.931%0.30848%0.477SS..PPolyproline II helixtrans-63.3131.1171.9-55.6170.8000108.6R234 A235 M248 T275R234-I273 HydrophobicContact CB-CD1 3.91Å; R234-I273 HydrophobicContact CB-CG1 4.47Å; A235-I273 HydrophobicContact CB-CG2 4.16Å; M248-I273 HydrophobicContact CE-CG2 4.18Å; I273-T275 PolarHBondContact O-N 3.46Å; I273-T275 VanDerWaalsContact O-N 3.09Å
274P61.2Low57.8Low24 Ų2488.1 Ų88.116%0.15647%0.467CS..  trans-67.4110178.726.5-32.7000110.8M248 I251 I276M248-P274 HydrophobicContact CE-CG 4.05Å; M248-P274 WeakPolarHBondContact CE-O 3.45Å; M248-P274 HydrophobicContact SD-CG 3.86Å; I251-P274 HydrophobicContact CG2-CB 3.87Å; I251-P274 HydrophobicContact CG2-CG 3.79Å; P274-I276 PolarHBondContact O-N 2.76Å; P274-I276 VanDerWaalsContact O-N 3.12Å
275T56.3Low56.7Low132 Ų13291.7 Ų91.781%0.8148%0.477SS*.  trans-68108.1175.9400000111.3I273 P277I273-T275 PolarHBondContact O-N 3.46Å; I273-T275 VanDerWaalsContact O-N 3.09Å; T275-P277 WeakPolarHBondContact O-CD 3.44Å
276I57.9Low55.8Low23 Ų2390.6 Ų90.612%0.11847%0.472CS..  trans-64.6131.9168-65.1177000109.1I239 E244 Q247 M248 I251 P274 S278I239-I276 HydrophobicContact CD1-CD1 3.89Å; E244-I276 HydrophobicContact CB-CD1 4.45Å; E244-I276 WeakPolarHBondContact O-CD1 3.49Å; Q247-I276 HydrophobicContact CB-CD1 3.99Å; M248-I276 HydrophobicContact CB-CD1 3.88Å; M248-I276 HydrophobicContact CE-CD1 4.08Å; M248-I276 HydrophobicContact CE-CG1 4.29Å; I251-I276 HydrophobicContact CD1-CD1 4.44Å; I251-I276 HydrophobicContact CD1-CG1 4Å; P274-I276 PolarHBondContact O-N 2.76Å; P274-I276 VanDerWaalsContact O-N 3.12Å; I276-S278 PolarHBondContact O-N 2.79Å
277P56.7Low55.1Low92 Ų9292.9 Ų92.960%0.59749%0.49SS*.  trans-71.149.8175.5-23.436.7000115T275 R279 A280 I281T275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-R279 PolarHBondContact O-N 2.94Å; P277-R279 VanDerWaalsContact O-N 3.09Å; P277-A280 HydrophobicContact CB-CB 4.17Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 3.3Å; P277-I281 PolarHBondContact O-N 3.4Å
278S55.2Low54Low39 Ų3989.9 Ų89.927%0.27347%0.471SS..Hα-helixtrans-46.8-43-179.4-550000113.3E244 I276 A280 I281 A282E244-S278 WeakPolarHBondContact OE1-CB 3.42Å; E244-S278 PolarHBondContact OE1-OG 3.04Å; I276-S278 PolarHBondContact O-N 2.79Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 2.69Å; S278-I281 PolarHBondContact O-N 2.95Å; S278-A282 WeakPolarHBondContact O-CB 3.3Å; S278-A282 PolarHBondContact O-N 2.69Å
279R45.6Very low53Low221 Ų22193.5 Ų93.583%0.83449%0.492SS*.Hα-helixtrans-63.4-29.5177.9-88.8-175.2171.5175.1-1.8113.7P277 S283P277-R279 PolarHBondContact O-N 2.94Å; P277-R279 VanDerWaalsContact O-N 3.09Å; R279-S283 WeakPolarHBondContact O-CB 3.46Å; R279-S283 PolarHBondContact O-N 3.08Å; R279-S283 VanDerWaalsContact O-N 3.16Å; R279-S283 PolarHBondContact O-OG 3.02Å
280A48.1Very low52.2Low52 Ų5290.7 Ų90.743%0.4348%0.482SS..Hα-helixtrans-69.8-53.9175.600000110.4P277 S278 S283 F284P277-A280 HydrophobicContact CB-CB 4.17Å; P277-A280 WeakPolarHBondContact O-CB 3.38Å; P277-A280 PolarHBondContact O-N 3.3Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 2.69Å; A280-S283 PolarHBondContact O-N 3.09Å; A280-F284 WeakPolarHBondContact O-CD2 3.36Å; A280-F284 PolarHBondContact O-N 3.31Å
281I45.7Very low51.4Low73 Ų7393.6 Ų93.637%0.37448%0.481SS..Hα-helixtrans-66.1-44.9-175.7-54.6176.5000111.1P277 S278 F284 R285P277-I281 PolarHBondContact O-N 3.4Å; S278-I281 PolarHBondContact O-N 2.95Å; I281-F284 PolarHBondContact O-N 2.66Å; I281-R285 PolarHBondContact O-N 3.32Å
282A44.9Very low50.2Low59 Ų5994.5 Ų94.549%0.48851%0.506SS..Hα-helixtrans-67.8-34.3178.800000112.8S278 K286S278-A282 WeakPolarHBondContact O-CB 3.3Å; S278-A282 PolarHBondContact O-N 2.69Å; A282-K286 PolarHBondContact O-N 2.63Å
283S44.3Very low49.1Very low69 Ų6994.5 Ų94.548%0.48351%0.506SS..Hα-helixtrans-72-41.3175.3-58.30000111.6R279 A280 K286 S287R279-S283 WeakPolarHBondContact O-CB 3.46Å; R279-S283 PolarHBondContact O-N 3.08Å; R279-S283 VanDerWaalsContact O-N 3.16Å; R279-S283 PolarHBondContact O-OG 3.02Å; A280-S283 PolarHBondContact O-N 3.09Å; S283-K286 WeakPolarHBondContact O-CA 3.42Å; S283-K286 WeakPolarHBondContact O-CB 3.41Å; S283-K286 PolarHBondContact O-N 3.02Å; S283-S287 PolarHBondContact O-N 3.2Å; S283-S287 PolarHBondContact O-OG 3.49Å
284F42.5Very low47.8Very low131 Ų13196.6 Ų96.658%0.57553%0.526SS*.Hα-helixtrans-58.3-47.6172.5-97.6-105.6000111.5A280 I281 K286 S287 F288A280-F284 WeakPolarHBondContact O-CD2 3.36Å; A280-F284 PolarHBondContact O-N 3.31Å; I281-F284 PolarHBondContact O-N 2.66Å; F284-K286 PolarHBondContact O-N 2.85Å; F284-S287 PolarHBondContact O-N 2.66Å; F284-S287 PolarHBondContact O-OG 3.24Å; F284-F288 AromaticContact CD1-CD2 3.91Å; F284-F288 HydrophobicContact CD1-CD2 3.91Å; F284-F288 AromaticContact CD1-CE2 3.57Å; F284-F288 HydrophobicContact CD1-CE2 3.57Å; F284-F288 AromaticContact CE1-CE2 3.82Å; F284-F288 HydrophobicContact CE1-CE2 3.82Å; F284-F288 WeakPolarHBondContact O-CB 3.41Å; F284-F288 WeakPolarHBondContact O-CD2 3.48Å; F284-F288 PolarHBondContact O-N 3.43Å
285R48.9Very low46.9Very low138 Ų138100.1 Ų100.152%0.52155%0.547SS..Hα-helixtrans-66.8-2.8174.1-72.8-179.3172-176.20.4114.8E243 I281 F288E243-R285 IonicContact OE1-CZ 3.96Å; E243-R285 VanDerWaalsContact OE1-CZ 3.26Å; E243-R285 IonicContact OE1-NH1 3.79Å; E243-R285 PolarHBondContact OE1-NH1 3.36Å; E243-R285 IonicContact OE1-NH2 3.65Å; E243-R285 PolarHBondContact OE1-NH2 3.04Å; E243-R285 IonicContact OE2-CZ 3.7Å; E243-R285 IonicContact OE2-NH1 3.47Å; E243-R285 PolarHBondContact OE2-NH1 2.78Å; E243-R285 IonicContact OE2-NH2 3.64Å; I281-R285 PolarHBondContact O-N 3.32Å; R285-F288 CarbonylContact C-O 3.23Å; R285-F288 VanDerWaalsContact O-O 3.13Å
286K51.2Low46.1Very low184 Ų184101 Ų10180%0.855%0.547SS*.Hα-helixtrans-106.2-32.9174.7-122.5176.4-178.9177.40113A282 S283 F284A282-K286 PolarHBondContact O-N 2.63Å; S283-K286 WeakPolarHBondContact O-CA 3.42Å; S283-K286 WeakPolarHBondContact O-CB 3.41Å; S283-K286 PolarHBondContact O-N 3.02Å; F284-K286 PolarHBondContact O-N 2.85Å
287S48.5Very low45.5Very low83 Ų83101.4 Ų101.458%0.5855%0.55SS**Hα-helixtrans-77.9-40.2172.552.90000111.5S283 F284S283-S287 PolarHBondContact O-N 3.2Å; S283-S287 PolarHBondContact O-OG 3.49Å; F284-S287 PolarHBondContact O-N 2.66Å; F284-S287 PolarHBondContact O-OG 3.24Å
288F45.8Very low44.7Very low55 Ų55103.1 Ų103.124%0.24156%0.558CS.*SBendtrans-85.7109.6164.2-62.6-87.8000108.6F284 R285 I290 S699F284-F288 AromaticContact CD1-CD2 3.91Å; F284-F288 HydrophobicContact CD1-CD2 3.91Å; F284-F288 AromaticContact CD1-CE2 3.57Å; F284-F288 HydrophobicContact CD1-CE2 3.57Å; F284-F288 AromaticContact CE1-CE2 3.82Å; F284-F288 HydrophobicContact CE1-CE2 3.82Å; F284-F288 WeakPolarHBondContact O-CB 3.41Å; F284-F288 WeakPolarHBondContact O-CD2 3.48Å; F284-F288 PolarHBondContact O-N 3.43Å; R285-F288 CarbonylContact C-O 3.23Å; R285-F288 VanDerWaalsContact O-O 3.13Å; F288-I290 HydrophobicContact CB-CD1 3.76Å; F288-I290 HydrophobicContact CB-CG1 4.03Å; F288-I290 PolarHBondContact O-N 3.47Å; F288-S699 VanDerWaalsContact CE1-O 3.27Å; F288-S699 WeakPolarHBondContact CE1-O 3.35Å
289N47.5Very low44.4Very low103 Ų103107.7 Ų107.755%0.55157%0.57SS**  trans-72.243.8-174.9-174.339.9000113.7R291N289-R291 PolarHBondContact O-N 3.48Å
290I45.7Very low44.2Very low61 Ų61100.2 Ų100.231%0.31355%0.55SS..  trans-85.8107.6-169.3-63.3170.8000109.7F288 I668F288-I290 HydrophobicContact CB-CD1 3.76Å; F288-I290 HydrophobicContact CB-CG1 4.03Å; F288-I290 PolarHBondContact O-N 3.47Å; I290-I668 HydrophobicContact CD1-CD1 3.72Å; I290-I668 HydrophobicContact CD1-CG1 4.43Å
291R43.5Very low43.7Very low170 Ų170103.8 Ų103.864%0.64257%0.566SS**  trans-72.4137.4164.4-59.6-176.5-171-135.7-1.7108.7N289 N293N289-R291 PolarHBondContact O-N 3.48Å; R291-N293 VanDerWaalsContact C-N 3.25Å; R291-N293 PolarHBondContact O-N 2.98Å
292G37Very low43.3Very low77 Ų77108.1 Ų108.179%0.79459%0.585SS**  trans-71.666-175.100000114.9S294G292-S294 PolarHBondContact O-N 3.44Å; G292-S294 VanDerWaalsContact O-N 3.1Å
293N40.4Very low42.8Very low138 Ų138112.5 Ų112.574%0.73860%0.599SS**  trans-74.989.4164.3-91.342.6000109.1R291 V295R291-N293 VanDerWaalsContact C-N 3.25Å; R291-N293 PolarHBondContact O-N 2.98Å; N293-V295 PolarHBondContact O-N 2.85Å
294S38.2Very low42.4Very low104 Ų104115.1 Ų115.173%0.72761%0.614SS**  trans-71.987.7175.258.10000111.2G292 N296G292-S294 PolarHBondContact O-N 3.44Å; G292-S294 VanDerWaalsContact O-N 3.1Å; S294-N296 PolarHBondContact O-N 3.27Å
295V41.7Very low42.1Very low98 Ų98111.7 Ų111.759%0.59462%0.616SS**  trans-70.1123.8158.8-179.60000106.9N293 V297N293-V295 PolarHBondContact O-N 2.85Å; V295-V297 HydrophobicContact CG1-CG2 4.19Å; V295-V297 PolarHBondContact O-N 3.48Å
296N38.6Very low41.7Very low151 Ų151111.7 Ų111.781%0.80763%0.634SS**  trans-7672.4-178-76.8-31.8000111.2S294 V298S294-N296 PolarHBondContact O-N 3.27Å; N296-V298 PolarHBondContact O-N 2.89Å; N296-V298 VanDerWaalsContact O-N 3.08Å
297V45.1Very low40.8Very low32 Ų32115.1 Ų115.119%0.19464%0.642CS.*  trans-69.2103.7172.5-1780000108.7V295 R299 T665V295-V297 HydrophobicContact CG1-CG2 4.19Å; V295-V297 PolarHBondContact O-N 3.48Å; V297-R299 PolarHBondContact O-N 2.81Å; V297-T665 HydrophobicContact CG2-CG2 4.02Å
298V41.3Very low40.1Very low127 Ų127114.2 Ų114.277%0.7765%0.646SS**  trans-64105.4169.3179.30000107.7N296N296-V298 PolarHBondContact O-N 2.89Å; N296-V298 VanDerWaalsContact O-N 3.08Å
299R47.9Very low39.7Very low136 Ų136120.1 Ų120.151%0.51368%0.679SS.*PPolyproline II helixtrans-75.8133176.9-63.4-168.9-179.499.6-7.6109.3V297 V301 D667V297-R299 PolarHBondContact O-N 2.81Å; R299-V301 PolarHBondContact O-N 3.44Å; R299-D667 IonicContact CZ-OD1 2.64Å; R299-D667 IonicContact CZ-OD2 2.64Å; R299-D667 VanDerWaalsContact CZ-OD2 3.3Å; R299-D667 IonicContact NE-OD1 2.74Å; R299-D667 IonicContact NE-OD2 3.7Å; R299-D667 PolarHBondContact NE-OD2 2.93Å; R299-D667 IonicContact NH2-OD1 3.68Å; R299-D667 PolarHBondContact NH2-OD1 3.44Å; R299-D667 IonicContact NH2-OD2 2.73Å; R299-D667 PolarHBondContact NH2-OD2 3.02Å
300P42.5Very low39.1Very low64 Ų64126.3 Ų126.342%0.41669%0.694SS.*PPolyproline II helixtrans-61.7127.6171.425.9-33.1000109.2Q302 L639P300-Q302 PolarHBondContact O-N 3.4Å; P300-L639 HydrophobicContact CG-CD2 4.45Å
301V36.7Very low38.9Very low126 Ų126129.4 Ų129.476%0.76472%0.718SS**PPolyproline II helixtrans-61.4125.8-177.1177.80000109.5R299 L303R299-V301 PolarHBondContact O-N 3.44Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.37Å
302Q36.4Very low38.6Very low165 Ų165128.3 Ų128.377%0.77173%0.731SS**  trans-74.990.2169.8-69.1-179-9300108.7P300P300-Q302 PolarHBondContact O-N 3.4Å
303L34.2Very low38.7Very low151 Ų151128 Ų12879%0.79173%0.728SS**PPolyproline II helixtrans-57.3134.3166.6-74.1168.6000109.6V301 G305V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.37Å; L303-G305 PolarHBondContact O-N 2.89Å
304P36.4Very low38.5Very low123 Ų123127.5 Ų127.580%0.79973%0.732SS**PPolyproline II helixtrans-61.3126.5168.5-20.432.8000110
305G37.4Very low38.4Very low60 Ų60127.8 Ų127.862%0.61973%0.734SS**PPolyproline II helixtrans-67.5149.9176.200000112.1L303 R307L303-G305 PolarHBondContact O-N 2.89Å; G305-R307 PolarHBondContact O-N 3.29Å
306P38.9Very low38.2Very low137 Ų137135 Ų13589%0.8975%0.751SS**  trans-69.9100-173.828.2-35.1000112.1G308P306-G308 VanDerWaalsContact C-N 3.3Å; P306-G308 PolarHBondContact O-N 2.89Å
307R33.8Very low38Very low257 Ų257131.7 Ų131.797%0.9775%0.752SS**  trans-84.276.4163.2-80.1-173.1165.4-170.9-4.5109.5G305G305-R307 PolarHBondContact O-N 3.29Å
308G32.5Very low37.6Very low64 Ų64135 Ų13566%0.6678%0.783SS**  trans-141.243.2-168.500000115.2P306P306-G308 VanDerWaalsContact C-N 3.3Å; P306-G308 PolarHBondContact O-N 2.89Å
309L37.3Very low37.3Very low178 Ų178135.3 Ų135.393%0.93279%0.787SS**  trans-129.4112.8166.6-72.9176.4000109.7
310R35Very low36.9Very low233 Ų233133.4 Ų133.488%0.87980%0.801SS**  trans-134.7104.9177.6-177.7-174.3-177-151.90.6108.3T312R310-T312 PolarHBondContact O-N 3.27Å
311P42.6Very low36.4Very low126 Ų126142.1 Ų142.182%0.81883%0.825SS**  trans-61.3131.3177.1-23.334.3000111.5
312T37.7Very low36.5Very low147 Ų147143.5 Ų143.590%0.90283%0.828SS**  trans-87.5122.4172.546.40000110.1R310R310-T312 PolarHBondContact O-N 3.27Å
313G37.2Very low36.9Very low71 Ų71141.8 Ų141.873%0.73283%0.831SS**  trans-150.2127.4175.200000110.1
314P37.5Very low37Very low127 Ų127140.6 Ų140.683%0.82583%0.829SS**  trans-99.2154.2-164.236.7-36.1000115.8
315S35.6Very low37.1Very low111 Ų111138.1 Ų138.178%0.77683%0.827SS**  trans49101.4144-160.40000120.3
316R38.2Very low36.9Very low250 Ų250142.3 Ų142.394%0.94383%0.834SS**  -168.6159.3108.6-97.3162.4-177.4-168.20.4108.5
317G33.9Very low36.6Very low80 Ų80143.5 Ų143.583%0.82583%0.832SS**  trans-149.4172.2-169.300000115.4
318A35.8Very low36.7Very low102 Ų102137 Ų13784%0.84383%0.825SS**  trans-159131167.900000109.9
319P35Very low36.6Very low134 Ų134145.3 Ų145.387%0.8784%0.837SS**  trans-108.5117.9176.735.4-27.4000113.4
320A39.9Very low36.3Very low96 Ų96140.9 Ų140.979%0.79384%0.835SS**  trans-138.7118.6161.100000107.2
321R31.5Very low36Very low247 Ų247133.4 Ų133.493%0.93283%0.83SS**  66.4132.859.7-69.8-161.8170.4-153.9-1.1113.6
322L39.9Very low35.6Very low155 Ų155138.6 Ų138.681%0.81283%0.833SS**  trans-71.7172.6-168.3-54.7168.9000112.9
323P45.5Very low35.4Very low129 Ų129138.8 Ų138.884%0.83883%0.829SS**  -121.5152.6123.335.6-32.9000113.6
324V35.9Very low35.2Very low125 Ų125140.6 Ų140.676%0.75883%0.825SS**  trans-119.5135.1167.2169.60000107.7
325G37.2Very low35.2Very low72 Ų72143.6 Ų143.674%0.74283%0.826SS**  trans-153.8125.9165.400000108.5
326L33.8Very low35Very low148 Ų148142.6 Ų142.678%0.77582%0.819SS**  cis93.990.243.9-72.5172.5000114.1
327L31.7Very low34.9Very low162 Ų162136 Ų13685%0.84881%0.811SS**  trans52110.8134.5-55.9177.3000121.3
328S35.9Very low35.1Very low119 Ų119137.2 Ų137.283%0.83281%0.807SS**  -164.6124.1125.7-144.60000108.1
329R32.1Very low35.3Very low240 Ų240137.7 Ų137.791%0.90680%0.799SS**  cis87.268.648.7-159.1-169.9177.3177.1-0.1115.5
330G29.3Very low35.8Very low85 Ų85136.8 Ų136.888%0.87679%0.791SS**  trans89.1161.113700000119.3
331G29.9Very low35.8Very low76 Ų76141 Ų14178%0.78479%0.791SS**  trans136.684.7159.300000119
332R33.1Very low36.2Very low234 Ų234133.3 Ų133.388%0.88378%0.775SS**  trans34.6114.8140.3-63.9174.4175.6157.2-2.8121.3
333N34.5Very low36.2Very low152 Ų152133.3 Ų133.381%0.81378%0.775SS**  47.9156.2115.9-56.512.8000124.2
334V33.3Very low36.2Very low109 Ų109132.2 Ų132.266%0.66177%0.77SS**  trans95.8142.9151.9-153.20000117.5
335F36.4Very low36.5Very low189 Ų189131.6 Ų131.683%0.82977%0.768SS**  trans83.8139.5170.3-56.5-76.2000118.8
336S33.1Very low36.6Very low90 Ų90133 Ų13363%0.62977%0.767SS**  cis-179.4136.2-39.6-1080000110.7
337S34.7Very low37Very low113 Ų113135 Ų13579%0.7977%0.769SS**  trans66.2155.2148.583.30000117.9
338S37.8Very low37.5Very low105 Ų105136.7 Ų136.773%0.73477%0.77SS**  cis-166.1-156.4-17.345.30000107.3
339V40.7Very low37.7Very low112 Ų112139 Ų13968%0.67977%0.772SS**  cis-163.1155.68.778.60000110.5
340V44.8Very low38.3Very low114 Ų114133.7 Ų133.769%0.69177%0.769SS**  trans58.1153.5167.4-55.70000119.3
341K40Very low38.7Very low184 Ų184134.9 Ų134.980%0.876%0.763SS**  cis-170.7170.9-12.3-106.2170.2-175.3177.60105.8
342S39.9Very low39.2Very low86 Ų86140.4 Ų140.460%0.60177%0.766SS**  cis-179.6173.1-29.954.10000108.2
343I40.5Very low39.7Very low156 Ų156133.5 Ų133.580%0.875%0.753SS**  trans71.4139.9168.2-67.4170.1000114.3
344S45Very low39.8Very low105 Ų105137.2 Ų137.273%0.73476%0.756SS**  cis-155.7170-15.6-103.80000111.3
345P43.7Very low40.1Very low112 Ų112137.8 Ų137.873%0.72777%0.765SS**  trans-125.3177.2-155.844-33.2000118.5
346S38.6Very low40.3Very low102 Ų102135.1 Ų135.171%0.71377%0.767SS**  trans79.8121148-64.30000121.7
347K42.2Very low40.5Very low189 Ų189135.8 Ų135.882%0.82277%0.772SS**  -178.4133.4108.4-96.1152.2-171.4168.70116.2
348K41.8Very low40.8Very low198 Ų198142 Ų14286%0.86178%0.778SS**  trans72.6133.4148.6-63.4179.9177.6-175.30121.7
349L40.8Very low41Very low167 Ų167142.1 Ų142.187%0.87478%0.778SS**  trans-97.2173.7159.7-62.9165.5000109.5
350P44.5Very low41Very low130 Ų130142.1 Ų142.184%0.84478%0.78SS**  -144.1168.392.638.1-22.3000116.5
351S38.4Very low40.9Very low109 Ų109143 Ų14376%0.76279%0.786SS**  trans-74.7153.2-169.256.60000118.3
352K40.2Very low41Very low192 Ų192140 Ų14084%0.83579%0.788SS**  trans-150.6148.2130.7-143.690177-169.60112.9
353S43.5Very low41.3Very low89 Ų89145.6 Ų145.662%0.62280%0.801SS**  trans-25.8157.5165.257.10000118.6
354R36.7Very low41.3Very low230 Ų230143.9 Ų143.987%0.86880%0.801SS**  cis-166.5143.719.4-132.5162.5-170172.60.9110.8
355S37.8Very low41Very low122 Ų122147.3 Ų147.385%0.85381%0.81SS**  trans-144.9137.4165-60.90000110.8
356P42Very low40.9Very low132 Ų132150.3 Ų150.386%0.85781%0.811SS**  trans-126.5109.6163.132.6-16.5000112
357S37.3Very low40.9Very low105 Ų105152.2 Ų152.273%0.73481%0.814SS**  trans-111138.4157.560.10000108.7
358R39.9Very low40.5Very low244 Ų244155.8 Ų155.892%0.92182%0.822SS**  trans154114.9153.9-86.4154.4-170.3-104.61112.4
359S42Very low40.3Very low106 Ų106154.9 Ų154.974%0.74182%0.821SS**  trans-64.5170.7141.8520000110
360P41.6Very low40Very low112 Ų112157.6 Ų157.673%0.72782%0.82SS**  cis-153.9-178.833.244.5-22.6000119.6
361V42Very low39.6Very low132 Ų132161.2 Ų161.280%0.882%0.822SS**  trans56.5115.6146.3168.10000120.2
362S42Very low39.5Very low121 Ų121167.5 Ų167.585%0.84683%0.829SS**  -171.7158.4114.633.40000113.2
363K46.7Very low39.2Very low204 Ų204165.7 Ų165.789%0.88783%0.828SS**  trans-75.6175.9-152.9-81.8174.9174.81770117.4
364P40.4Very low39Very low121 Ų121172.1 Ų172.179%0.78684%0.84SS**  trans-108.9174.5-159.741.9-35.4000116
365L39.6Very low39Very low176 Ų176172.8 Ų172.892%0.92184%0.842SS**  trans-134.3166.8165.5-98.4171.2000112.2
366K41.9Very low38.8Very low175 Ų175172.1 Ų172.176%0.76184%0.838SS**  trans-103.7174.3-164.7-59-177.8173.2-178.20115
367D38.1Very low38.6Very low143 Ų143177 Ų17777%0.76584%0.839SS**  trans68.3116.2148.2-57.3-37000118.8
368W34.2Very low38.8Very low264 Ų264177.3 Ų177.3100%184%0.841SS**  trans-121.993.3163.8-134.768.2000111.1
369Q37.1Very low38.6Very low179 Ų179170.4 Ų170.484%0.83683%0.83SS**  trans-136.6160.5167.4-98.6-158.3-5.800110.3
370R35.3Very low38.5Very low224 Ų224170.8 Ų170.885%0.84583%0.833SS**  trans86.996.3160.7-154-179.1-56.1-166.34117.2
371K34.2Very low38.3Very low206 Ų206170.8 Ų170.890%0.89684%0.836SS**  trans10.9133138.7-56.3175.81801790117.4
372R36.1Very low38.3Very low241 Ų241169.4 Ų169.491%0.90983%0.832SS**  trans-137.6139.6146.9-165.5166.2-73.2-149.40.7111
373L34Very low38.2Very low153 Ų153171 Ų17180%0.80183%0.826SS**  trans-104-169175.8-95.3161000109.6
374Y39.7Very low37.9Very low224 Ų224164.8 Ų164.888%0.87881%0.808SS**  trans75.9150.9-173.3-51-77.1000113.1
375R36.5Very low38Very low244 Ų244169.8 Ų169.892%0.92181%0.811SS**  cis-143.315116.6-155.8179.1-166.4-169.84.3111.1
376S35.3Very low37.9Very low108 Ų108164.9 Ų164.976%0.75580%0.803SS**  trans-129.8141.5177.1510000111.5
377R37.7Very low37.9Very low235 Ų235161.6 Ų161.689%0.88780%0.802SS**  trans167.4136.4143.7-98.9173174.6-165.5-3.6112.3
378S39.9Very low38.2Very low111 Ų111160.5 Ų160.578%0.77680%0.802SS**  trans60.5143.5143-550000120.2
379S37Very low38.6Very low99 Ų99156.1 Ų156.169%0.69279%0.793SS**  cis-169.2157.6-5.637.90000111.1
380S39.4Very low38.9Very low114 Ų114153 Ų15380%0.79779%0.791SS**  trans50123.8156.154.30000118.8
381S38Very low39.3Very low113 Ų113147.4 Ų147.479%0.7979%0.786SS**  -150.8174.655.760.90000116.2
382S40.5Very low39.6Very low102 Ų102142.2 Ų142.271%0.71378%0.776SS**  trans-51170.516445.10000115.8
383E40.2Very low39.7Very low155 Ų155136.4 Ų136.472%0.72477%0.772SS**  cis-114.8-133.610.7-106.6-134.9105.100116.8R385E383-R385 IonicContact OE1-NE 3.98Å
384S40.8Very low40.1Very low73 Ų73134 Ų13451%0.5177%0.768SS.*  -168.9-171.9-122.784.30000116.1
385R41.9Very low40.1Very low227 Ų227127.4 Ų127.486%0.85776%0.755SS**  trans67.2148.7164-68.7161.6-164.7-1331.9118.1E383E383-R385 IonicContact OE1-NE 3.98Å
386G39.1Very low40.3Very low72 Ų72125.6 Ų125.674%0.74275%0.754SS**  trans95.978.6174.200000115.4
387S41.1Very low40.6Very low106 Ų106131.7 Ų131.774%0.74176%0.76SS**  68.1107.375-60.20000116
388P44.8Very low40.7Very low120 Ų120126.9 Ų126.978%0.77976%0.757SS**  trans-114.7143-179.738.7-29.3000114.8
389H42.7Very low40.7Very low172 Ų172130.8 Ų130.880%0.79676%0.76SS**  trans-137.3150.9-179.6-59.6-29.8000114
390S43.8Very low40.7Very low113 Ų113137.2 Ų137.279%0.7977%0.769SS**  trans6.4150.3154.351.30000121.3
391S41.9Very low40.7Very low107 Ų107140.1 Ų140.175%0.74878%0.775SS**  cis-168.6-174.4-3.148.90000107.3
392S41.3Very low40.7Very low97 Ų97145.8 Ų145.868%0.67878%0.779SS**  cis-166.7169.325.8-26.50000111.5
393S38.9Very low40.7Very low120 Ų120152.4 Ų152.484%0.83979%0.788SS**  trans72.9141.6170.282.10000117.1
394S42Very low40.6Very low101 Ų101155.6 Ų155.671%0.70679%0.794SS**  cis-138.6129.2-1655.80000108.4
395S40.4Very low40.6Very low86 Ų86158.5 Ų158.560%0.60180%0.803SS**  68.9120.387.6109.70000113.1
396F40.7Very low40.5Very low207 Ų207151.1 Ų151.191%0.90879%0.787SS**  cis-145.41713.1-84-65.7000112.9
397R39.8Very low40.5Very low236 Ų236158.7 Ų158.789%0.89179%0.793SS**  trans-109.1153.9176-60.2166.2166.1175.1-5.7110.4
398T40.6Very low40.4Very low133 Ų133158.1 Ų158.182%0.81679%0.789SS**  -178.9128.5126.3310000109
399K40.4Very low40.2Very low194 Ų194164.2 Ų164.284%0.84380%0.796SS**  72.9117.365.7-88.4-171.6174.5-179.40115.3
400R36.4Very low40Very low233 Ų233162 Ų16288%0.87980%0.801SS**  trans6.6137.9148.5-61.5175.9173.4-178.3-2.7118.2
401L40.4Very low39.8Very low175 Ų175160.7 Ų160.792%0.91681%0.805SS**  -165.9178.1111.3-105.6161.9000113.5
402R37.7Very low39.8Very low232 Ų232160.6 Ų160.688%0.87580%0.804SS**  trans-105.7173.5-179.7-65.8173.5171.7162.3-6.1110.9
403R39.6Very low39.8Very low241 Ų241167.5 Ų167.591%0.90982%0.815SS**  trans102.8118.1-176.2-62.4159.5-176.4-171.7-0.3109.3
404R39Very low39.9Very low223 Ų223169.9 Ų169.984%0.84281%0.813SS**  cis75.5133.833.9-150-165.5-166.7178.76.1112.8
405D40.3Very low39.9Very low133 Ų133169.5 Ų169.571%0.71182%0.816SS**  trans71144.8174.3-59.2-57.4000116.1
406S39.8Very low40.2Very low73 Ų73171.3 Ų171.351%0.5182%0.815SS.*  cis-167.2173.7-19.4570000109.5
407R40Very low40.2Very low230 Ų230171.4 Ų171.487%0.86881%0.809SS**  trans69.6156.3164.7-55.4154.7-165.6-161.3-0.6114.5
408S38.7Very low40.4Very low95 Ų95168.3 Ų168.366%0.66480%0.802SS**  cis-174.5144.2-24.152.70000109
409R39.6Very low40.7Very low247 Ų247167.2 Ų167.293%0.93280%0.795SS**  trans178.4124.9135-99.9156.1-173.2-164.50.3111.3
410S38.3Very low41Very low126 Ų126164.8 Ų164.888%0.88179%0.792SS**  trans-82.7142175.2-47.70000110.6
411G41.1Very low41.3Very low85 Ų85161 Ų16188%0.87679%0.788SS**  trans-126.497.6172.100000110.8
412S41.3Very low41.7Very low105 Ų105158.6 Ų158.673%0.73478%0.781SS**  trans-128126179.2176.60000110.8
413R40.7Very low42Very low243 Ų243156 Ų15692%0.91778%0.776SS**  trans173.5126.1161.5-86.2137.2-159.6-145.85.3105
414H42.3Very low42.2Very low169 Ų169150.6 Ų150.678%0.78277%0.765SS**  cis82.884.224.9-154.498.2000115.4
415A41.9Very low42.4Very low93 Ų93144 Ų14477%0.76975%0.754SS**  trans-154130.1152.900000106.8
416Q45.8Very low42.9Very low124 Ų124146 Ų14658%0.57976%0.759SS**  cis93.9132.338.2-79.6-109-41.300113.8
417R41.4Very low42.9Very low210 Ų210151 Ų15179%0.79277%0.771SS**  trans76144.3161.1-65.3154.8-160.5-139.8-3115.3
418K42.3Very low42.8Very low171 Ų171144.5 Ų144.574%0.74376%0.761SS**  cis-150.3135.11.3-106.8160.5175.4-170.10107.7
419T46.9Very low43.1Very low110 Ų110146 Ų14668%0.67577%0.766SS**  60.9158.389.875.50000117.1
420N47Very low43Very low143 Ų143140 Ų14077%0.76576%0.759SS**  trans89.9101-175.5-49.311000110.7
421D43.3Very low43.4Very low152 Ų152142.5 Ų142.581%0.81376%0.757SS**  cis64.7119.435.2-68.3-67.4000115.7
422V48.3Very low43.2Very low126 Ų126145.5 Ų145.576%0.76475%0.752SS**  trans155.8116.5135.7159.10000111.2
423K45.2Very low42.9Very low177 Ų177144.5 Ų144.577%0.7775%0.75SS**  trans53.2162.8150.1-72.3-177.4176.5-171.40119.7
424D42.5Very low42.9Very low128 Ų128139.4 Ų139.468%0.68475%0.746SS**  cis-143.4170.7-4.2-106.3-33.7000105.1
425S44.7Very low42.6Very low85 Ų85142.8 Ų142.859%0.59475%0.752SS**  cis165.1146.7-21.9-91.70000105.6
426Q49.3Very low42.6Very low175 Ų175141.9 Ų141.982%0.81875%0.752SS**  trans69.6149.8175.4-34.3-162.921.300115.8
427K39.7Very low42.3Very low178 Ų178143.2 Ų143.277%0.77476%0.763SS**  cis-146.1152.6-0.4-151.4165.5-178169.50112.3
428S38.3Very low42.3Very low93 Ų93137.8 Ų137.865%0.6576%0.757SS**  trans-61.4160.6166.951.60000112.4
429T44.5Very low42.3Very low127 Ų127139.7 Ų139.778%0.77977%0.766SS**  -164.6153.255.746.80000113.6
430P39.2Very low41.8Very low121 Ų121138.2 Ų138.279%0.78677%0.772SS**  trans-119.3132.3162.636.1-24.4000113
431Q45.3Very low41.6Very low178 Ų178142.8 Ų142.883%0.83278%0.779SS**  trans-154148.5171-87.8-150-12.100115.4
432L36.8Very low41.3Very low148 Ų148147.3 Ų147.378%0.77578%0.784SS**  trans46.1131.9163.1-75.976.5000119.6
433A35.1Very low41Very low84 Ų84151.9 Ų151.969%0.69479%0.788SS**  cis95.383.921.500000117
434T41.2Very low40.7Very low135 Ų135154.5 Ų154.583%0.82879%0.793SS**  trans-166.5156158.532.20000109.6
435R37.1Very low40.5Very low240 Ų240160.4 Ų160.491%0.90681%0.806SS**  cis-172137.9-24.9-164.9172.5-178.2-179.5-1.1108.8
436G40.4Very low40.1Very low74 Ų74160.2 Ų160.276%0.76382%0.817SS**  trans83.9162.4168.900000116.7
437N40.7Very low39.5Very low153 Ų153155.5 Ų155.582%0.81882%0.815SS**  cis-150.4159.5-8.1-160.76.7000112.9
438S40.8Very low39.3Very low96 Ų96151.6 Ų151.667%0.67182%0.816SS**  trans-11.2141.9167.8-54.20000118.3
439K42.6Very low39.2Very low211 Ų211151.8 Ų151.892%0.91782%0.818SS**  -152146.252-74.9168.2178.1169.10112.7
440G37.1Very low38.8Very low79 Ų79153 Ų15381%0.81482%0.819SS**  trans-115.3157.5172.300000113.3
441R41.3Very low39Very low239 Ų239152 Ų15290%0.90282%0.821SS**  trans-139.672.1172.7-159.8175.1-173.5-173.71112.4
442R38.1Very low38.7Very low247 Ų247150.5 Ų150.593%0.93282%0.819SS**  trans-66.2134.9166.6-84.2177.7160.9-177.4-4.4110.6
443R40.7Very low39Very low222 Ų222147.6 Ų147.684%0.83881%0.811SS**  trans-143128.1146.9-77.2-163.2169.7-179.4-3.6111
444R40.5Very low39.3Very low232 Ų232148.7 Ų148.788%0.87581%0.814SS**  trans37.9118.1148.9-53.5-176.1179.4-161.5-3.1117.5
445R37.9Very low39.6Very low252 Ų252147.6 Ų147.695%0.95181%0.807SS**  cis71116.231.5-158.6-168.1-169.5-1574.3114.2
446G36.6Very low40Very low80 Ų80143.3 Ų143.383%0.82580%0.802SS**  trans9014317800000112.8
447G35.6Very low40.2Very low76 Ų76143.6 Ų143.678%0.78480%0.797SS**  cis132.8131.8-10.400000113.9
448A36.6Very low40.2Very low97 Ų97143.6 Ų143.680%0.80280%0.797SS**  trans70.6114.1170.200000118.8
449S34.9Very low40.3Very low97 Ų97144.9 Ų144.968%0.67880%0.801SS**  47.7137.9129.664.80000123.9
450N37Very low40.4Very low153 Ų153139.1 Ų139.182%0.81879%0.788SS**  trans87.6145.7150.3-58.2-11.9000119.5
451A42.9Very low40.6Very low100 Ų100141.8 Ų141.883%0.82678%0.783SS**  trans65144.9163.800000118.2
452D38.5Very low40.6Very low146 Ų146138.1 Ų138.178%0.78178%0.776SS**  cis-161.8169-29.2-156.7-6.6000108.9
453S43.2Very low40.7Very low87 Ų87133.5 Ų133.561%0.60877%0.77SS**  trans55.6133.7149.4660000121.8
454S42.3Very low40.7Very low107 Ų107128.6 Ų128.675%0.74877%0.765SS**  trans68.2142.2148.971.30000118.6
455T46.8Very low40.7Very low111 Ų111124.2 Ų124.268%0.68176%0.764SS**  cis-156.4154.4-6.43.90000109.6
456D46.3Very low40.6Very low150 Ų150116.8 Ų116.880%0.80276%0.756SS**  trans53.6136.4143.7-57.6-17.6000121.5
457A43.7Very low40.8Very low81 Ų81118 Ų11867%0.66976%0.759SS**  cis-155161-4.800000111.7
458N41.3Very low40.7Very low152 Ų152126.8 Ų126.881%0.81377%0.768SS**  trans23.8140.7145.6-63.7-20.1000120.7
459T42.2Very low40.8Very low123 Ų123126 Ų12676%0.75577%0.769SS**  cis-152147.535.6-18.30000113.4
460S45.5Very low40.9Very low91 Ų91134 Ų13464%0.63678%0.784SS**  trans8.5143.7143.2660000119.2
461N40.9Very low40.9Very low135 Ų135130.4 Ų130.472%0.72278%0.784SS**  cis-174.3166.518-121.636000107
462E41.4Very low40.8Very low161 Ų161137.9 Ų137.975%0.75279%0.791SS**  cis-146-171.211.4-57.6-158.313900112.5
463D40.2Very low40.7Very low150 Ų150134.6 Ų134.680%0.80279%0.792SS**  trans-36.5144.3169.1-64-15.7000117.7
464V40.1Very low40.3Very low120 Ų120138.2 Ų138.273%0.72780%0.804SS**  cis78.394.919.8-165.50000116.7
465T39.9Very low39.8Very low140 Ų140145.8 Ų145.886%0.85982%0.816SS**  trans-160109.4133.820.80000107.8
466A37Very low39.2Very low95 Ų95152.1 Ų152.179%0.78583%0.828SS**  80.388.37100000115
467A39.7Very low38.8Very low107 Ų107150.6 Ų150.688%0.88483%0.829SS**  trans-155.2135.2149.500000111.1
468R34.9Very low38.5Very low260 Ų260156.7 Ų156.798%0.98184%0.84SS**  trans-98142.6175.3-67.1169.3170.4161.1-5.4109.8
469G37.5Very low38.2Very low80 Ų80161.6 Ų161.683%0.82585%0.848SS**  trans-175.998.9171.800000115.2
470R37.4Very low37.8Very low264 Ų264159.7 Ų159.7100%0.99685%0.852SS**  trans-85.5128.9163.2-69.5-178.4175.7-171.8-0.6108.8
471G36.4Very low37.2Very low79 Ų79160.5 Ų160.581%0.81486%0.858SS**  trans-166131.2173.800000112.4
472R40.6Very low36.9Very low257 Ų257162.4 Ų162.497%0.9787%0.866SS**  trans-90.2133.7177.4-77.9-178.8169.2-174.4-3.1111
473G36.6Very low36.8Very low77 Ų77159.5 Ų159.579%0.79486%0.863SS**  trans63.8104.3141.400000119
474N36.2Very low36.9Very low162 Ų162161.8 Ų161.887%0.86687%0.866SS**  trans-151.3107.5138.3-146.30.7000110.4
475W30.4Very low36.9Very low266 Ų266165.6 Ų165.6100%1.00888%0.876SS**  trans-114.576.3-171.6-136.434.4000111.3
476R34.6Very low37.4Very low244 Ų244164.4 Ų164.492%0.92187%0.868SS**  trans-153.5148.1167.8-117.5179.4-175.4-134.10.5112.6
477S38.1Very low38.2Very low118 Ų118165 Ų16583%0.82586%0.864SS**  trans72.982.3169.6-153.60000118.5
478K36.9Very low38.9Very low209 Ų209164.7 Ų164.791%0.90985%0.853SS**  -148.5110.3122.3-141.7165.2-173.6174.20110.8
479R35.7Very low40.2Very low256 Ų256155.4 Ų155.497%0.96683%0.828SS**  trans-74.4145.9167-89.1-178.1164.5-169-3.9108.8
480G33.6Very low41.7Very low82 Ų82159 Ų15985%0.84582%0.823SS**  trans121.766.1157.100000117.4
481S33Very low43.4Very low109 Ų109150.3 Ų150.376%0.76280%0.803SS**  trans-161136.7140-1700000109.1
482I34.7Very low45.3Very low175 Ų175155.3 Ų155.390%0.89780%0.797SS**  trans-117.569.2179.2-170.465000109.5
483S39.2Very low47Very low99 Ų99148.2 Ų148.269%0.69278%0.778SS**  trans-92109.1-174.555.40000112.4
484K41.3Very low49Very low199 Ų199148.7 Ų148.787%0.86577%0.766SS**  trans13.6122152.9-61.1178.5179.9-1800117.4T486K484-T486 PolarHBondContact O-N 2.92Å
485H41.1Very low51Low199 Ų199147 Ų14792%0.92175%0.753SS**PPolyproline II helixtrans-50.2118.1167.3-117.9-92.3000111.5
486T50.7Low53.1Low115 Ų115142.7 Ų142.771%0.70674%0.736SS**PPolyproline II helixtrans-79.3141163.3510000109.5K484K484-T486 PolarHBondContact O-N 2.92Å
487P53.1Low55.1Low108 Ų108134.1 Ų134.170%0.70172%0.718SS**PPolyproline II helixtrans-61.2158.1169.228.1-34.6000110.7S489P487-S489 PolarHBondContact O-N 2.91Å; P487-S489 VanDerWaalsContact O-N 3.12Å
488P55.1Low56.9Low100 Ų100131.3 Ų131.365%0.64970%0.698SS**PPolyproline II helixtrans-60.3119175.526.1-33.7000109.5E490P488-E490 PolarHBondContact O-N 3.35Å
489S61.5Low58.8Low66 Ų66130.6 Ų130.646%0.46269%0.69SS.*PPolyproline II helixtrans-49.8128.7-178570000111.6P487 S491 R492P487-S489 PolarHBondContact O-N 2.91Å; P487-S489 VanDerWaalsContact O-N 3.12Å; S489-S491 PolarHBondContact O-N 2.81Å; S489-R492 WeakPolarHBondContact O-CB 3.47Å; S489-R492 PolarHBondContact O-N 3.12Å
490E68.7Low60.5Low154 Ų154124.7 Ų124.772%0.7267%0.672SS**Hα-helixtrans-46-40.8-177.6-169.2171-166.400113.2P488 R492 L493 T494P488-E490 PolarHBondContact O-N 3.35Å; E490-R492 PolarHBondContact O-N 3.32Å; E490-R492 VanDerWaalsContact O-N 3.08Å; E490-L493 WeakPolarHBondContact O-CA 3.25Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.99Å; E490-T494 PolarHBondContact O-N 3.48Å; E490-T494 PolarHBondContact O-OG1 3.24Å
491S73.6Confident62Low82 Ų82127.7 Ų127.757%0.57366%0.661SS**Hα-helixtrans-40.3-43.8168.2171.20000114.9S489 Q495S489-S491 PolarHBondContact O-N 2.81Å; S491-Q495 VanDerWaalsContact O-CB 3.24Å; S491-Q495 WeakPolarHBondContact O-CB 3.24Å; S491-Q495 PolarHBondContact O-N 3.27Å
492R75.8Confident63.5Low184 Ų184128.8 Ų128.869%0.69466%0.659SS**Hα-helixtrans-75.9-23.8179.8-80.6-176.4166.4-179.3-3.2113.6S489 E490 R496S489-R492 WeakPolarHBondContact O-CB 3.47Å; S489-R492 PolarHBondContact O-N 3.12Å; E490-R492 PolarHBondContact O-N 3.32Å; E490-R492 VanDerWaalsContact O-N 3.08Å; R492-R496 WeakPolarHBondContact O-CB 3.3Å; R492-R496 PolarHBondContact O-N 3.4Å
493L76.8Confident64.6Low109 Ų109128.3 Ų128.357%0.57165%0.652SS**Hα-helixtrans-76.2-48170.6-73160.3000109.2E490 Q495 R496 A497E490-L493 WeakPolarHBondContact O-CA 3.25Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.99Å; L493-Q495 PolarHBondContact O-N 3.01Å; L493-R496 WeakPolarHBondContact O-CA 3.33Å; L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 2.64Å; L493-A497 PolarHBondContact O-N 3.15Å
494T78.9Confident65.5Low87 Ų87127.8 Ų127.853%0.53464%0.641SS.*Hα-helixtrans-59.7-43.2176.9-49.10000112.3E490 R496 A497 S498E490-T494 PolarHBondContact O-N 3.48Å; E490-T494 PolarHBondContact O-OG1 3.24Å; T494-R496 PolarHBondContact O-N 3.01Å; T494-A497 PolarHBondContact O-N 3.18Å; T494-S498 WeakPolarHBondContact O-CB 3.48Å; T494-S498 PolarHBondContact O-N 3.09Å
495Q79.1Confident66.2Low126 Ų126123.9 Ų123.959%0.58963%0.634SS**Hα-helixtrans-69.2-15.4175.6-163.9-177.341.200113.5S491 L493 S498S491-Q495 VanDerWaalsContact O-CB 3.24Å; S491-Q495 WeakPolarHBondContact O-CB 3.24Å; S491-Q495 PolarHBondContact O-N 3.27Å; L493-Q495 PolarHBondContact O-N 3.01Å; Q495-S498 PolarHBondContact O-OG 3.48Å
496R74.6Confident66.8Low175 Ų175122.9 Ų122.966%0.6663%0.629SS**Hα-helixtrans-87.5-40.4172.1-152.2176.7-162.7131.10.3110.8R492 L493 T494R492-R496 WeakPolarHBondContact O-CB 3.3Å; R492-R496 PolarHBondContact O-N 3.4Å; L493-R496 WeakPolarHBondContact O-CA 3.33Å; L493-R496 WeakPolarHBondContact O-CB 3.37Å; L493-R496 PolarHBondContact O-N 2.64Å; T494-R496 PolarHBondContact O-N 3.01Å
497A75.1Confident66.5Low64 Ų64120 Ų12053%0.52961%0.614SS.*Hα-helixtrans-64.7-39.9174.300000112.3L493 T494 R499 F500L493-A497 PolarHBondContact O-N 3.15Å; T494-A497 PolarHBondContact O-N 3.18Å; A497-R499 PolarHBondContact O-N 2.74Å; A497-R499 VanDerWaalsContact O-N 3.13Å; A497-F500 PolarHBondContact O-N 3.42Å
498S75.6Confident66.3Low60 Ų60121.4 Ų121.442%0.4262%0.623SS.*Hα-helixtrans-59-28.4-179.5680000113.4T494 Q495 F500 K501T494-S498 WeakPolarHBondContact O-CB 3.48Å; T494-S498 PolarHBondContact O-N 3.09Å; Q495-S498 PolarHBondContact O-OG 3.48Å; S498-F500 PolarHBondContact O-N 3.21Å; S498-K501 WeakPolarHBondContact O-CB 3.49Å; S498-K501 PolarHBondContact O-N 3.42Å
499R77.1Confident66Low193 Ų193122.4 Ų122.473%0.72862%0.622SS**Hα-helixtrans-64.8-21.8176.6-63.6-177.8178.6-148.8-4.2114.3A497A497-R499 PolarHBondContact O-N 2.74Å; A497-R499 VanDerWaalsContact O-N 3.13Å
500F72.1Confident65Low133 Ų133122.4 Ų122.458%0.58363%0.632SS**Hα-helixtrans-96.7-11.7177.8-66.4-82000112.5A497 S498 D502 H503 L504A497-F500 PolarHBondContact O-N 3.42Å; S498-F500 PolarHBondContact O-N 3.21Å; F500-D502 PolarHBondContact O-N 3.33Å; F500-H503 PolarHBondContact O-N 2.95Å; F500-L504 HydrophobicContact CB-CD1 4.37Å; F500-L504 WeakPolarHBondContact O-CD1 3.29Å; F500-L504 WeakPolarHBondContact O-CG 3.18Å; F500-L504 PolarHBondContact O-N 3Å
501K65.2Low63.7Low144 Ų144121.5 Ų121.563%0.62664%0.643SS**Hα-helixtrans-60.8-47.1-173.6-167.1179.9-179.4-173.90111.7S498 H503 L504S498-K501 WeakPolarHBondContact O-CB 3.49Å; S498-K501 PolarHBondContact O-N 3.42Å; K501-H503 PolarHBondContact O-N 3.45Å; K501-L504 PolarHBondContact O-N 2.84Å; K501-L504 VanDerWaalsContact O-N 3.16Å
502D63.8Low62.4Low133 Ų133121.2 Ų121.271%0.71165%0.652SS**Hα-helixtrans-68.6-25.2-177.1-53.6-25.2000112.3F500F500-D502 PolarHBondContact O-N 3.33Å
503H58.9Low61.2Low164 Ų164114.7 Ų114.776%0.75964%0.635SS**Hα-helixtrans-83.1-11177-117.9-60.8000114.1F500 K501F500-H503 PolarHBondContact O-N 2.95Å; K501-H503 PolarHBondContact O-N 3.45Å
504L58.3Low60.2Low88 Ų88116.4 Ų116.446%0.46164%0.644SS.*Hα-helixtrans-97.5-12.8-179.7-77.1162.3000113.6F500 K501 Q506 S507 I514F500-L504 HydrophobicContact CB-CD1 4.37Å; F500-L504 WeakPolarHBondContact O-CD1 3.29Å; F500-L504 WeakPolarHBondContact O-CG 3.18Å; F500-L504 PolarHBondContact O-N 3Å; K501-L504 PolarHBondContact O-N 2.84Å; K501-L504 VanDerWaalsContact O-N 3.16Å; L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3.02Å; L504-S507 PolarHBondContact O-OG 3.01Å; L504-S507 VanDerWaalsContact O-OG 3.09Å; L504-I514 HydrophobicContact CD1-CD1 4.14Å
505V54.7Low58.9Low118 Ų118117 Ų11772%0.71566%0.657SS**THydrogen-bonded Turntrans-76.5-16.7-176.1173.80000112.9
506Q53.3Low57.5Low177 Ų177116.2 Ų116.283%0.82765%0.649SS**THydrogen-bonded Turntrans-96.4-1-178.2-67.1-179.8-11.500114.2L504L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3.02Å
507S45.7Very low56.4Low54 Ų54112.2 Ų112.238%0.37864%0.644SS.*SBendtrans-102.6124.2174.250.90000110.8L504 I509L504-S507 PolarHBondContact O-OG 3.01Å; L504-S507 VanDerWaalsContact O-OG 3.09Å; S507-I509 PolarHBondContact O-N 3.37Å
508P47.8Very low55.5Low138 Ų138114.6 Ų114.690%0.89665%0.652SS**SBendtrans-76.427-176.233.1-37.5000114.2
509I50.4Low54.4Low122 Ų122116 Ų11663%0.62666%0.662SS**SBendtrans-119.1127.2-176.8-59.8178.7000108.7S507S507-I509 PolarHBondContact O-N 3.37Å
510G39.6Very low53.3Low65 Ų65111.1 Ų111.167%0.6765%0.648SS**  trans-60.2145.5-162.300000116.6G512G510-G512 PolarHBondContact O-N 3.42Å
511S40.9Very low52.4Low136 Ų136108.7 Ų108.795%0.95164%0.64SS**THydrogen-bonded Turntrans-61.299.1177.2167.70000112.8
512G46.2Very low52Low75 Ų75107.1 Ų107.177%0.77364%0.638SS**THydrogen-bonded Turntrans-176.7-10.7170.700000118.8G510G510-G512 PolarHBondContact O-N 3.42Å
513S51.8Low51.4Low47 Ų47104 Ų10433%0.32963%0.626SS.*  trans-110.332-158.6-167.70000117.2A515 R516S513-A515 VanDerWaalsContact C-N 3.28Å; S513-A515 PolarHBondContact O-N 2.83Å; S513-R516 WeakPolarHBondContact OG-CD 3.48Å; S513-R516 PolarHBondContact OG-NE 2.95Å; S513-R516 PolarHBondContact OG-NH1 3.3Å
514I54.3Low50.8Low146 Ų146100.4 Ų100.475%0.74961%0.613SS**THydrogen-bonded Turntrans-78.7-6.1-173.8-60.1175.1000113.4L504L504-I514 HydrophobicContact CD1-CD1 4.14Å
515A52.6Low50.4Low100 Ų100105.1 Ų105.183%0.82663%0.626SS**THydrogen-bonded Turntrans-93.40.1-177.200000115.5S513S513-A515 VanDerWaalsContact C-N 3.28Å; S513-A515 PolarHBondContact O-N 2.83Å
516R50.1Low50Low109 Ų109105 Ų10541%0.41163%0.625SS.*  trans-81.7124.5-178.5-68.3-172.7-169.1150.55111S513 Q520 L521S513-R516 WeakPolarHBondContact OG-CD 3.48Å; S513-R516 PolarHBondContact OG-NE 2.95Å; S513-R516 PolarHBondContact OG-NH1 3.3Å; R516-Q520 HydrophobicContact CB-CB 3.76Å; R516-Q520 WeakPolarHBondContact CD-O 3.39Å; R516-Q520 HydrophobicContact CG-CB 4.08Å; R516-L521 HydrophobicContact CB-CD2 4.33Å; R516-L521 HydrophobicContact CB-CG 4.28Å
517T52Low49.5Very low90 Ų90103.5 Ų103.555%0.55262%0.623SS**  trans-59.1160.2165.69.70000110.4S519 Q520 L521T517-S519 VanDerWaalsContact C-N 3.28Å; T517-S519 PolarHBondContact O-N 2.79Å; T517-Q520 CarbonylContact O-C 3.59Å; T517-Q520 WeakPolarHBondContact O-CA 3.27Å; T517-Q520 WeakPolarHBondContact O-CB 3.3Å; T517-Q520 PolarHBondContact O-N 3.41Å; T517-L521 PolarHBondContact O-N 2.94Å
518T54.3Low49.5Very low114 Ų114108.2 Ų108.270%0.69964%0.639SS**Hα-helixtrans-50.7-45.2179.144.80000112.9Q520 L521 L522T518-Q520 VanDerWaalsContact C-N 3.25Å; T518-Q520 PolarHBondContact O-N 3.26Å; T518-L521 PolarHBondContact O-N 3.44Å; T518-L522 VanDerWaalsContact O-CD1 3.31Å; T518-L522 WeakPolarHBondContact O-CD1 3.46Å; T518-L522 PolarHBondContact O-N 2.7Å
519S52.4Low49.4Very low90 Ų90112.4 Ų112.463%0.62964%0.637SS**Hα-helixtrans-57.4-32.2173.3162.50000114.2T517 S523T517-S519 VanDerWaalsContact C-N 3.28Å; T517-S519 PolarHBondContact O-N 2.79Å; S519-S523 PolarHBondContact O-N 3.25Å
520Q55.7Low48.7Very low91 Ų91113.2 Ų113.243%0.42564%0.642SS.*Hα-helixtrans-84.5-7.8177-69.7-176.9-1000113.9R516 T517 T518 S523 N524R516-Q520 HydrophobicContact CB-CB 3.76Å; R516-Q520 WeakPolarHBondContact CD-O 3.39Å; R516-Q520 HydrophobicContact CG-CB 4.08Å; T517-Q520 CarbonylContact O-C 3.59Å; T517-Q520 WeakPolarHBondContact O-CA 3.27Å; T517-Q520 WeakPolarHBondContact O-CB 3.3Å; T517-Q520 PolarHBondContact O-N 3.41Å; T518-Q520 VanDerWaalsContact C-N 3.25Å; T518-Q520 PolarHBondContact O-N 3.26Å; Q520-S523 WeakPolarHBondContact CA-OG 3.29Å; Q520-S523 PolarHBondContact O-OG 2.95Å; Q520-N524 PolarHBondContact O-OD1 2.96Å; Q520-N524 VanDerWaalsContact O-OD1 3.04Å
521L53.1Low49.2Very low82 Ų82117.7 Ų117.743%0.42965%0.651SS.*Hα-helixtrans-81.4-41166.1-72.9168.9000110.1R516 T517 T518 N524R516-L521 HydrophobicContact CB-CD2 4.33Å; R516-L521 HydrophobicContact CB-CG 4.28Å; T517-L521 PolarHBondContact O-N 2.94Å; T518-L521 PolarHBondContact O-N 3.44Å; L521-N524 PolarHBondContact O-N 3.44Å
522L55.7Low49.7Very low111 Ų111118.5 Ų118.558%0.58164%0.644SS**Hα-helixtrans-62.9-42.1176.2-82.672.3000112.2T518 N524 Y525T518-L522 VanDerWaalsContact O-CD1 3.31Å; T518-L522 WeakPolarHBondContact O-CD1 3.46Å; T518-L522 PolarHBondContact O-N 2.7Å; L522-N524 PolarHBondContact O-N 3.19Å; L522-Y525 PolarHBondContact O-N 3.33Å
523S52.7Low49.6Very low66 Ų66119.9 Ų119.946%0.46265%0.648SS.*THydrogen-bonded Turntrans-67.6-1.1179.165.80000115.6S519 Q520S519-S523 PolarHBondContact O-N 3.25Å; Q520-S523 WeakPolarHBondContact CA-OG 3.29Å; Q520-S523 PolarHBondContact O-OG 2.95Å
524N46.3Very low49.3Very low89 Ų89121.7 Ų121.748%0.47666%0.657SS.*THydrogen-bonded Turntrans-121.49.1-173.4-81.781.5000113.1Q520 L521 L522Q520-N524 PolarHBondContact O-OD1 2.96Å; Q520-N524 VanDerWaalsContact O-OD1 3.04Å; L521-N524 PolarHBondContact O-N 3.44Å; L522-N524 PolarHBondContact O-N 3.19Å
525Y49.4Very low48.9Very low188 Ų188119.5 Ų119.574%0.73765%0.647SS**SBendtrans-101.63.1166.1-89.5-86.5000112.8L522L522-Y525 PolarHBondContact O-N 3.33Å
526T45Very low48.7Very low115 Ų115122.1 Ų122.171%0.70664%0.64SS**  trans-107.555.6-177.260.40000111.7
527D42.8Very low48.8Very low146 Ų146119.5 Ų119.578%0.78165%0.647SS**SBendtrans-153.9139.7165.6-144.5-2.3000107.6
528E46.2Very low48.5Very low152 Ų152119.4 Ų119.471%0.7165%0.65SS**SBendtrans60.995.4-174.4-63.3-69.9122.700117.8
529R46.1Very low48.3Very low227 Ų227117.6 Ų117.686%0.85764%0.641SS**  trans96.7131152.4-54179.7-173.1-153.3-2.3121
530D36.8Very low48.7Very low138 Ų138118.4 Ų118.474%0.73864%0.635SS**SBendtrans-14.7161.9167.7-56.5-50.6000123.5L532D530-L532 PolarHBondContact O-N 3.46Å
531D49.4Very low49.2Very low160 Ų160117.6 Ų117.686%0.85663%0.633SS**SBendtrans65.3-5.6156.4-64.3-19.8000121.2
532L50.9Low50.3Low153 Ų153118.1 Ų118.180%0.80164%0.639SS**  trans-120.735.8176.7-70177.3000115.4D530 V534D530-L532 PolarHBondContact O-N 3.46Å; L532-V534 PolarHBondContact O-N 3.41Å
533A43.8Very low51.3Low104 Ų104113 Ų11386%0.8661%0.613SS**  trans-72.467.2166.300000111.8D535A533-D535 PolarHBondContact O-N 3.09Å; A533-D535 VanDerWaalsContact O-N 3.09Å
534V46Very low52.9Low84 Ų84113.6 Ų113.651%0.50961%0.614SS.*  trans-63.4110.7171.3-179.70000108.3L532 F536L532-V534 PolarHBondContact O-N 3.41Å; V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 WeakPolarHBondContact O-CD2 3.38Å; V534-F536 PolarHBondContact O-N 3.42Å
535D45.1Very low54.8Low101 Ų101110.9 Ų110.954%0.5460%0.599SS.*  trans-6896.7176.4175.523.2000110.1A533 G537 S538A533-D535 PolarHBondContact O-N 3.09Å; A533-D535 VanDerWaalsContact O-N 3.09Å; D535-G537 PolarHBondContact O-N 3.44Å; D535-G537 VanDerWaalsContact O-N 3.15Å; D535-G537 WeakPolarHBondContact OD1-CA 3.45Å; D535-G537 PolarHBondContact OD1-N 3.47Å; D535-S538 WeakPolarHBondContact O-CB 3.06Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.18Å; D535-S538 PolarHBondContact OD2-N 3.49Å
536F49.8Very low56.6Low155 Ų155109.6 Ų109.668%0.6860%0.6SS**THydrogen-bonded Turntrans-63.5-13.9175-73.5-83.7000113.1V534 C539V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 WeakPolarHBondContact O-CD2 3.38Å; V534-F536 PolarHBondContact O-N 3.42Å; F536-C539 PolarHBondContact O-N 3.08Å
537G50.6Low58.6Low54 Ų54110 Ų11056%0.55759%0.593SS**THydrogen-bonded Turntrans-68.4-36.816800000112.8D535 C539 Q540D535-G537 PolarHBondContact O-N 3.44Å; D535-G537 VanDerWaalsContact O-N 3.15Å; D535-G537 WeakPolarHBondContact OD1-CA 3.45Å; D535-G537 PolarHBondContact OD1-N 3.47Å; G537-C539 PolarHBondContact O-N 3.31Å; G537-Q540 PolarHBondContact O-N 3.21Å
538S46.4Very low60.8Low87 Ų87106.2 Ų106.261%0.60857%0.573SS**THydrogen-bonded Turntrans-66.3-19.317575.60000113.9D535 Q540D535-S538 WeakPolarHBondContact O-CB 3.06Å; D535-S538 PolarHBondContact O-N 3.26Å; D535-S538 PolarHBondContact O-OG 3.18Å; D535-S538 PolarHBondContact OD2-N 3.49Å; S538-Q540 PolarHBondContact O-N 3.23Å
539C51Low63Low77 Ų77102.7 Ų102.752%0.5256%0.556SS.*THydrogen-bonded Turntrans-85.429178-68.40000113.4F536 G537 I541F536-C539 PolarHBondContact O-N 3.08Å; G537-C539 PolarHBondContact O-N 3.31Å; C539-I541 PolarHBondContact O-N 2.88Å
540Q59.9Low65Low106 Ų10693 Ų9350%0.49552%0.52SS..  trans-66.6105.7176.1-168.81713300110.3G537 S538 V542 Q604G537-Q540 PolarHBondContact O-N 3.21Å; S538-Q540 PolarHBondContact O-N 3.23Å; Q540-V542 PolarHBondContact O-N 3.16Å; Q540-Q604 WeakPolarHBondContact CG-O 3.26Å; Q540-Q604 PolarHBondContact NE2-O 3.01Å
541I65.9Low67.5Low75 Ų7593.7 Ų93.739%0.38552%0.519SS..  trans-67.199.8177.6-57.5174.6000108.2C539 P561 Q604C539-I541 PolarHBondContact O-N 2.88Å; I541-P561 HydrophobicContact CG2-CB 4.37Å; I541-P561 HydrophobicContact CG2-CG 4.07Å; I541-Q604 WeakPolarHBondContact O-CG 3.36Å
542V75.8Confident69.3Low92 Ų9291.6 Ų91.656%0.55850%0.5SS*.  trans-79.5126.6172.5-178.60000109.3Q540 P566Q540-V542 PolarHBondContact O-N 3.16Å; V542-P566 HydrophobicContact CG1-CB 4.34Å
543G77.7Confident70.9Confident3 Ų387.7 Ų87.73%0.03148%0.479CS..  trans-67.7153.1177.700000113.6V564 P566 Q604G543-V564 CarbonylContact C-O 3.57Å; G543-V564 VanDerWaalsContact C-O 3.23Å; G543-V564 WeakPolarHBondContact CA-O 3.5Å; G543-P566 VanDerWaalsContact O-CB 3.24Å; G543-P566 WeakPolarHBondContact O-CB 3.13Å; G543-P566 WeakPolarHBondContact O-CD 3.49Å; G543-P566 WeakPolarHBondContact O-CG 3.42Å; G543-Q604 VanDerWaalsContact N-OE1 3.16Å
544T85.7Confident72.8Confident80 Ų8092.5 Ų92.549%0.49148%0.475SS..  trans-120.8-2.8179.556.70000114Q546 P561 T562 V564T544-Q546 PolarHBondContact O-N 3.04Å; T544-P561 PolarHBondContact N-O 3.38Å; T544-P561 PolarHBondContact OG1-O 3.35Å; T544-T562 WeakPolarHBondContact OG1-CA 3.27Å; T544-T562 PolarHBondContact OG1-N 3.2Å; T544-V564 PolarHBondContact N-O 3.16Å
545M86.2Confident74.5Confident31 Ų3192.2 Ų92.215%0.15347%0.471CS..  trans-67.8124.5180-167.8177.5-172.400111.6E547 K550 T562 E563 V564 R565 P566M545-E547 HydrophobicContact CE-CB 3.95Å; M545-E547 HydrophobicContact CE-CG 4.19Å; M545-E547 WeakPolarHBondContact CE-OE2 3.39Å; M545-E547 HydrophobicContact CG-CB 4.32Å; M545-K550 HydrophobicContact CE-CB 4.18Å; M545-K550 HydrophobicContact CE-CD 4.21Å; M545-K550 HydrophobicContact CE-CG 3.87Å; M545-K550 HydrophobicContact SD-CD 3.77Å; M545-K550 HydrophobicContact SD-CG 4.12Å; M545-T562 WeakPolarHBondContact CB-O 3.26Å; M545-E563 VanDerWaalsContact SD-O 3.39Å; M545-V564 VanDerWaalsContact CB-C 3.49Å; M545-V564 WeakPolarHBondContact CB-O 3.38Å; M545-V564 PolarHBondContact N-O 3Å; M545-R565 HydrophobicContact CB-CG 4Å; M545-R565 HydrophobicContact CG-CG 4.12Å; M545-R565 HydrophobicContact SD-CG 4.13Å; M545-P566 WeakPolarHBondContact O-CD 3.41Å
546Q87.7Confident76.2Confident162 Ų16293.2 Ų93.276%0.75748%0.48SS*.  trans-96.6-5.6-178-61.5-175.56.900114.1T544T544-Q546 PolarHBondContact O-N 3.04Å
547E87.8Confident77.8Confident122 Ų12295.9 Ų95.957%0.5749%0.486SS*.  trans-69.3138.7178.8-59.3-174.6162.600111.5M545 R565 I569M545-E547 HydrophobicContact CE-CB 3.95Å; M545-E547 HydrophobicContact CE-CG 4.19Å; M545-E547 WeakPolarHBondContact CE-OE2 3.39Å; M545-E547 HydrophobicContact CG-CB 4.32Å; E547-R565 WeakPolarHBondContact O-CD 3.41Å; E547-R565 WeakPolarHBondContact O-CG 3.49Å; E547-I569 WeakPolarHBondContact O-CG2 3.24Å
548I89Confident79.2Confident68 Ų6897.1 Ų97.135%0.34949%0.491SS..SBendtrans-83.2-41.2-178.7-57.6178.9000110.7R565 S573 H576I548-R565 PolarHBondContact O-NH1 3.09Å; I548-S573 PolarHBondContact O-OG 2.84Å; I548-S573 VanDerWaalsContact O-OG 3.1Å; I548-H576 HydrophobicContact CG2-CB 3.83Å
549E90.7Very high80.6Confident78 Ų7894.3 Ų94.336%0.36447%0.47SS..  trans-96.7130.9177-58.1-171.4-17300109.7H576 K580 W589E549-H576 IonicContact OE1-CD2 3.43Å; E549-H576 IonicContact OE1-CE1 3.23Å; E549-H576 IonicContact OE1-NE2 2.66Å; E549-H576 PolarHBondContact OE1-NE2 3.01Å; E549-K580 IonicContact OE1-NZ 3.32Å; E549-W589 HydrophobicContact CG-CZ2 4.01Å; E549-W589 WeakPolarHBondContact OE2-CZ2 3.23Å
550K89.9Confident82Confident22 Ų2295 Ų9510%0.09647%0.469CS..  trans-147.1129.5-179.3177-164160.5176.30110.6M545 E563 Q593 S596 D600M545-K550 HydrophobicContact CE-CB 4.18Å; M545-K550 HydrophobicContact CE-CD 4.21Å; M545-K550 HydrophobicContact CE-CG 3.87Å; M545-K550 HydrophobicContact SD-CD 3.77Å; M545-K550 HydrophobicContact SD-CG 4.12Å; K550-E563 WeakPolarHBondContact CE-O 3.06Å; K550-E563 PolarHBondContact NZ-O 2.88Å; K550-Q593 PolarHBondContact O-OE1 3Å; K550-S596 WeakPolarHBondContact CB-OG 3.17Å; K550-S596 WeakPolarHBondContact CD-OG 2.89Å; K550-S596 WeakPolarHBondContact CG-OG 3.35Å; K550-S596 WeakPolarHBondContact O-CB 3.39Å; K550-S596 PolarHBondContact O-OG 3.3Å; K550-D600 IonicContact NZ-OD1 2.65Å; K550-D600 PolarHBondContact NZ-OD1 3.02Å; K550-D600 IonicContact NZ-OD2 2.67Å
551Q87.6Confident83.1Confident153 Ų15392.8 Ų92.872%0.71546%0.464SS*.  trans-63.2150.8174.4-71.4-177.2-12.100112.9L553 E592 S596Q551-L553 PolarHBondContact O-N 3Å; Q551-E592 WeakPolarHBondContact CA-OE1 3.46Å; Q551-E592 VanDerWaalsContact CB-OE1 3.27Å; Q551-E592 WeakPolarHBondContact CB-OE1 3.38Å; Q551-E592 WeakPolarHBondContact CG-OE1 3.45Å; Q551-S596 PolarHBondContact O-OG 3.29Å
552Y88Confident84Confident117 Ų11793.9 Ų93.946%0.45947%0.474SS..  trans-79105.6179.7173.4-111000111.2E592 K595 Q599Y552-E592 PolarHBondContact N-OE1 2.77Å; Y552-K595 HydrophobicContact CD1-CB 4.44Å; Y552-K595 HydrophobicContact CD2-CB 3.68Å; Y552-K595 HydrophobicContact CE2-CB 4.18Å; Y552-K595 HydrophobicContact CG-CB 3.82Å; Y552-Q599 HydrophobicContact CD2-CB 4.24Å; Y552-Q599 HydrophobicContact CE2-CB 4.02Å
553L83.6Confident84.5Confident71 Ų7193.2 Ų93.237%0.37247%0.465SS..  trans-83.9130-173.1-176.559.9000111.9Q551 L555 E563 Q599Q551-L553 PolarHBondContact O-N 3Å; L553-L555 PolarHBondContact O-N 3.38Å; L553-L555 VanDerWaalsContact O-N 3.08Å; L553-E563 WeakPolarHBondContact CD2-OE2 3.31Å; L553-Q599 PolarHBondContact O-NE2 3.2Å; L553-Q599 PolarHBondContact O-OE1 3.36Å
554R84.9Confident85Confident205 Ų20593.1 Ų93.177%0.77446%0.464SS*.  trans-74.4100.5166.9-173-176.1-17891.24.6109.4T556R554-T556 HydrophobicContact CG-CG2 4.49Å; R554-T556 PolarHBondContact O-N 3.07Å
555L80.7Confident85.3Confident78 Ų7889.3 Ų89.341%0.40844%0.441SS..  trans-55.5110.8177-59.2178.1000111.1L553 P559 V603L553-L555 PolarHBondContact O-N 3.38Å; L553-L555 VanDerWaalsContact O-N 3.08Å; L555-P559 HydrophobicContact CD2-CB 4.13Å; L555-V603 HydrophobicContact CD1-CG2 3.96Å
556T82.5Confident85.6Confident121 Ų12189.2 Ų89.274%0.74244%0.442SS*.  trans-120.50.6174.251.20000112.9R554R554-T556 HydrophobicContact CG-CG2 4.49Å; R554-T556 PolarHBondContact O-N 3.07Å
557R82.6Confident85.7Confident211 Ų21184 Ų8480%0.79642%0.419SS*.SBendtrans-136.5175175.1-65.4-178.5178.3175-0.3107.7
558A79.1Confident86Confident80 Ų8081.3 Ų81.366%0.66142%0.418SS*.PPolyproline II helixtrans-60.1138.1157.800000108.3D560A558-D560 PolarHBondContact O-N 3.49Å
559P77.1Confident86.2Confident28 Ų2879.5 Ų79.518%0.18241%0.409CS..PPolyproline II helixtrans-71.6125.1175.427.9-31.1000109.5L555 V564 V603L555-P559 HydrophobicContact CD2-CB 4.13Å; P559-V564 HydrophobicContact CB-CG2 4.15Å; P559-V603 HydrophobicContact CB-CG1 4.07Å; P559-V603 HydrophobicContact CG-CB 4.45Å; P559-V603 HydrophobicContact CG-CG1 3.44Å; P559-V603 VanDerWaalsContact CG-CG1 3.44Å; P559-V603 HydrophobicContact CG-CG2 4.1Å
560D80.4Confident86.3Confident91 Ų9175.8 Ų75.849%0.48739%0.391SS..PPolyproline II helixtrans-72.2143.4174.1-69.9-43.3000109.5A558 T562 E563A558-D560 PolarHBondContact O-N 3.49Å; D560-T562 PolarHBondContact O-N 3.42Å; D560-E563 HydrophobicContact CB-CG 4.41Å; D560-E563 WeakPolarHBondContact O-CB 3.34Å; D560-E563 PolarHBondContact O-N 3.48Å
561P82.8Confident86.5Confident60 Ų6079.4 Ų79.439%0.3941%0.407SS..G310 helixtrans-58.2-24.6-177.5-25.233.7000114I541 T544 E563 V564I541-P561 HydrophobicContact CG2-CB 4.37Å; I541-P561 HydrophobicContact CG2-CG 4.07Å; T544-P561 PolarHBondContact N-O 3.38Å; T544-P561 PolarHBondContact OG1-O 3.35Å; P561-E563 VanDerWaalsContact C-N 3.31Å; P561-V564 PolarHBondContact O-N 3.24Å
562T84.7Confident86.9Confident98 Ų9876.3 Ų76.360%0.60140%0.395SS*.G310 helixtrans-72.8-18.3175.2470000113.9T544 M545 D560T544-T562 WeakPolarHBondContact OG1-CA 3.27Å; T544-T562 PolarHBondContact OG1-N 3.2Å; M545-T562 WeakPolarHBondContact CB-O 3.26Å; D560-T562 PolarHBondContact O-N 3.42Å
563E85.5Confident87.2Confident78 Ų7870.7 Ų70.736%0.36437%0.373SS..G310 helixtrans-87.7-6.5174-62.4-170.7147.900112.8M545 K550 L553 D560 P561M545-E563 VanDerWaalsContact SD-O 3.39Å; K550-E563 WeakPolarHBondContact CE-O 3.06Å; K550-E563 PolarHBondContact NZ-O 2.88Å; L553-E563 WeakPolarHBondContact CD2-OE2 3.31Å; D560-E563 HydrophobicContact CB-CG 4.41Å; D560-E563 WeakPolarHBondContact O-CB 3.34Å; D560-E563 PolarHBondContact O-N 3.48Å; P561-E563 VanDerWaalsContact C-N 3.31Å
564V89.1Confident87.7Confident2 Ų267.8 Ų67.81%0.01236%0.358CS..SBendtrans-115.1133-170.7-176.60000110.5G543 T544 M545 P559 P561 D600 V603 Q604G543-V564 CarbonylContact C-O 3.57Å; G543-V564 VanDerWaalsContact C-O 3.23Å; G543-V564 WeakPolarHBondContact CA-O 3.5Å; T544-V564 PolarHBondContact N-O 3.16Å; M545-V564 VanDerWaalsContact CB-C 3.49Å; M545-V564 WeakPolarHBondContact CB-O 3.38Å; M545-V564 PolarHBondContact N-O 3Å; P559-V564 HydrophobicContact CB-CG2 4.15Å; P561-V564 PolarHBondContact O-N 3.24Å; V564-D600 HydrophobicContact CG1-CB 4.14Å; V564-V603 HydrophobicContact CG1-CG1 4.47Å; V564-V603 HydrophobicContact CG2-CG1 3.93Å; V564-Q604 HydrophobicContact CG1-CG 3.7Å
565R91.2Very high88.2Confident0 Ų063.9 Ų63.90%035%0.348CS..  trans-83.2131177.4-67.6171.1-64.6-160.6-14.7111.4M545 E547 I548 I569 L570 S573 S596 D600 Q604M545-R565 HydrophobicContact CB-CG 4Å; M545-R565 HydrophobicContact CG-CG 4.12Å; M545-R565 HydrophobicContact SD-CG 4.13Å; E547-R565 WeakPolarHBondContact O-CD 3.41Å; E547-R565 WeakPolarHBondContact O-CG 3.49Å; I548-R565 PolarHBondContact O-NH1 3.09Å; R565-I569 HydrophobicContact CB-CB 4.25Å; R565-I569 HydrophobicContact CB-CG2 4.1Å; R565-I569 HydrophobicContact CG-CG2 3.97Å; R565-L570 HydrophobicContact CB-CD2 3.77Å; R565-L570 HydrophobicContact CB-CG 3.98Å; R565-L570 WeakPolarHBondContact O-CD1 3.3Å; R565-L570 WeakPolarHBondContact O-CG 3.21Å; R565-S573 PolarHBondContact NH1-OG 3.36Å; R565-S596 VanDerWaalsContact NH2-C 3.26Å; R565-S596 PolarHBondContact NH2-OG 3.12Å; R565-D600 IonicContact CZ-OD2 2.8Å; R565-D600 VanDerWaalsContact CZ-OD2 3.23Å; R565-D600 IonicContact NE-OD2 2.89Å; R565-D600 PolarHBondContact NE-OD2 3.09Å; R565-D600 IonicContact NH2-OD2 3.97Å; R565-D600 PolarHBondContact NH2-OD2 3.46Å; R565-Q604 PolarHBondContact O-NE2 2.89Å; R565-Q604 PolarHBondContact O-OE1 3Å
566P92Very high88.8Confident28 Ų2862.5 Ų62.518%0.18234%0.339CS..  trans-69.2162.1173.224.6-26.8000112V542 G543 M545 A568 I569 L570V542-P566 HydrophobicContact CG1-CB 4.34Å; G543-P566 VanDerWaalsContact O-CB 3.24Å; G543-P566 WeakPolarHBondContact O-CB 3.13Å; G543-P566 WeakPolarHBondContact O-CD 3.49Å; G543-P566 WeakPolarHBondContact O-CG 3.42Å; M545-P566 WeakPolarHBondContact O-CD 3.41Å; P566-A568 PolarHBondContact O-N 2.81Å; P566-I569 HydrophobicContact CG-CB 4.39Å; P566-I569 HydrophobicContact CG-CG1 3.9Å; P566-I569 PolarHBondContact O-N 3.42Å; P566-L570 PolarHBondContact O-N 3.32Å
567L91.7Very high89.4Confident52 Ų5256.7 Ų56.727%0.27230%0.304SS..Hα-helixtrans-49.3-35.6-177.8-177.259.5000114.7K571 I606 F610L567-K571 WeakPolarHBondContact O-CG 3.44Å; L567-K571 PolarHBondContact O-N 3.02Å; L567-I606 HydrophobicContact CB-CD1 4.41Å; L567-F610 HydrophobicContact CD1-CB 4.37Å; L567-F610 HydrophobicContact CD1-CD1 3.29Å; L567-F610 HydrophobicContact CD1-CE1 3.79Å; L567-F610 HydrophobicContact CD1-CG 3.96Å
568A92.4Very high89.9Confident67 Ų6750.1 Ų50.155%0.55428%0.281SS*.Hα-helixtrans-65.7-44.9176.500000112.6P566 K571 L572P566-A568 PolarHBondContact O-N 2.81Å; A568-K571 PolarHBondContact O-N 2.71Å; A568-L572 PolarHBondContact O-N 3.23Å
569I93.2Very high90.6Very high29 Ų2952.5 Ų52.515%0.14928%0.279CS..Hα-helixtrans-72.9-33.8178.5-56.9-65.6000110.4E547 R565 P566 K571 L572 S573E547-I569 WeakPolarHBondContact O-CG2 3.24Å; R565-I569 HydrophobicContact CB-CB 4.25Å; R565-I569 HydrophobicContact CB-CG2 4.1Å; R565-I569 HydrophobicContact CG-CG2 3.97Å; P566-I569 HydrophobicContact CG-CB 4.39Å; P566-I569 HydrophobicContact CG-CG1 3.9Å; P566-I569 PolarHBondContact O-N 3.42Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.37Å; I569-L572 PolarHBondContact O-N 2.83Å; I569-S573 WeakPolarHBondContact O-CB 3.29Å; I569-S573 PolarHBondContact O-N 2.91Å; I569-S573 PolarHBondContact O-OG 3.39Å
570L93.9Very high91.3Very high0 Ų054.4 Ų54.40%028%0.284CS..Hα-helixtrans-62.5-34.6174.2-68.6173.8000113R565 P566 S573 L574 I597 D600 L601 F610R565-L570 HydrophobicContact CB-CD2 3.77Å; R565-L570 HydrophobicContact CB-CG 3.98Å; R565-L570 WeakPolarHBondContact O-CD1 3.3Å; R565-L570 WeakPolarHBondContact O-CG 3.21Å; P566-L570 PolarHBondContact O-N 3.32Å; L570-S573 WeakPolarHBondContact O-CB 2.95Å; L570-S573 PolarHBondContact O-N 3.19Å; L570-L574 PolarHBondContact O-N 2.92Å; L570-I597 HydrophobicContact CD2-CB 4.38Å; L570-I597 HydrophobicContact CD2-CG1 4.39Å; L570-I597 HydrophobicContact CD2-CG2 3.98Å; L570-D600 HydrophobicContact CD1-CB 4.18Å; L570-D600 HydrophobicContact CD2-CB 3.73Å; L570-L601 HydrophobicContact CD1-CD2 3.91Å; L570-L601 HydrophobicContact CD1-CG 4.19Å; L570-F610 HydrophobicContact CB-CE1 3.88Å; L570-F610 HydrophobicContact CB-CZ 4.13Å
571K94.5Very high91.9Very high99 Ų9952.6 Ų52.643%0.4327%0.27SS..Hα-helixtrans-63.1-51.3173.6-74.7170.2-179.6-179.40111.3L567 A568 I569 S573 L574 E575 F610L567-K571 WeakPolarHBondContact O-CG 3.44Å; L567-K571 PolarHBondContact O-N 3.02Å; A568-K571 PolarHBondContact O-N 2.71Å; I569-K571 VanDerWaalsContact C-N 3.31Å; I569-K571 PolarHBondContact O-N 3.37Å; K571-S573 VanDerWaalsContact C-N 3.29Å; K571-S573 PolarHBondContact O-N 3.43Å; K571-L574 PolarHBondContact O-N 2.76Å; K571-E575 PolarHBondContact O-N 3.31Å; K571-E575 VanDerWaalsContact O-N 3.09Å; K571-F610 HydrophobicContact CB-CE2 4.28Å; K571-F610 HydrophobicContact CB-CZ 4.47Å; K571-F610 HydrophobicContact CG-CD2 3.84Å; K571-F610 HydrophobicContact CG-CE1 4.43Å; K571-F610 HydrophobicContact CG-CE2 3.5Å; K571-F610 HydrophobicContact CG-CG 4.44Å; K571-F610 HydrophobicContact CG-CZ 3.83Å
572L94.6Very high92.3Very high87 Ų8758.5 Ų58.546%0.45529%0.285SS..Hα-helixtrans-59.3-39.6174.9-61.3174.6000111.9A568 I569 E575 H576A568-L572 PolarHBondContact O-N 3.23Å; I569-L572 PolarHBondContact O-N 2.83Å; L572-E575 PolarHBondContact O-N 3.28Å; L572-H576 WeakPolarHBondContact O-CB 3.49Å; L572-H576 PolarHBondContact O-N 2.98Å
573S94.4Very high92.5Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-60.9-44.2175.9-54.20000112I548 R565 I569 L570 K571 V577I548-S573 PolarHBondContact O-OG 2.84Å; I548-S573 VanDerWaalsContact O-OG 3.1Å; R565-S573 PolarHBondContact NH1-OG 3.36Å; I569-S573 WeakPolarHBondContact O-CB 3.29Å; I569-S573 PolarHBondContact O-N 2.91Å; I569-S573 PolarHBondContact O-OG 3.39Å; L570-S573 WeakPolarHBondContact O-CB 2.95Å; L570-S573 PolarHBondContact O-N 3.19Å; K571-S573 VanDerWaalsContact C-N 3.29Å; K571-S573 PolarHBondContact O-N 3.43Å; S573-V577 WeakPolarHBondContact O-CB 3.42Å; S573-V577 WeakPolarHBondContact O-CG2 3.33Å; S573-V577 PolarHBondContact O-N 3.19Å
574L94.5Very high92.3Very high10 Ų1060.9 Ų60.95%0.05230%0.302CS..Hα-helixtrans-64.7-39.8176.6169.2140.4000112L570 K571 K578 F610 V614 A617L570-L574 PolarHBondContact O-N 2.92Å; K571-L574 PolarHBondContact O-N 2.76Å; L574-K578 HydrophobicContact CD1-CD 4.42Å; L574-K578 HydrophobicContact CD2-CD 3.58Å; L574-K578 HydrophobicContact CG-CD 3.71Å; L574-K578 WeakPolarHBondContact O-CB 3.48Å; L574-K578 WeakPolarHBondContact O-CD 3.32Å; L574-K578 WeakPolarHBondContact O-CG 3.27Å; L574-K578 PolarHBondContact O-N 2.77Å; L574-F610 HydrophobicContact CB-CZ 4.43Å; L574-F610 HydrophobicContact CD1-CE2 4.33Å; L574-V614 HydrophobicContact CD1-CB 4.12Å; L574-V614 HydrophobicContact CD1-CG2 3.55Å; L574-A617 HydrophobicContact CD1-CB 4.34Å
575E95.3Very high91.7Very high122 Ų12262.5 Ų62.557%0.5731%0.313SS*.Hα-helixtrans-68-47.6179.7-70178.3164.800111.4K571 L572 V577 K578 E579K571-E575 PolarHBondContact O-N 3.31Å; K571-E575 VanDerWaalsContact O-N 3.09Å; L572-E575 PolarHBondContact O-N 3.28Å; E575-V577 PolarHBondContact O-N 3.5Å; E575-K578 PolarHBondContact O-N 2.77Å; E575-E579 PolarHBondContact O-N 2.71Å
576H93.6Very high91.7Very high49 Ų4968.6 Ų68.623%0.22735%0.345CS..Hα-helixtrans-56.9-46.5174.2-178.173000112.6I548 E549 L572 K578 E579 K580I548-H576 HydrophobicContact CG2-CB 3.83Å; E549-H576 IonicContact OE1-CD2 3.43Å; E549-H576 IonicContact OE1-CE1 3.23Å; E549-H576 IonicContact OE1-NE2 2.66Å; E549-H576 PolarHBondContact OE1-NE2 3.01Å; L572-H576 WeakPolarHBondContact O-CB 3.49Å; L572-H576 PolarHBondContact O-N 2.98Å; H576-K578 VanDerWaalsContact C-N 3.34Å; H576-K578 PolarHBondContact O-N 3.38Å; H576-E579 PolarHBondContact O-N 2.91Å; H576-K580 VanDerWaalsContact CE1-CE 3.41Å; H576-K580 WeakPolarHBondContact CE1-CE 3.46Å; H576-K580 WeakPolarHBondContact O-CB 3.34Å; H576-K580 WeakPolarHBondContact O-CG 3.37Å; H576-K580 PolarHBondContact O-N 3.44Å
577V94.5Very high91.7Very high0 Ų069.4 Ų69.40%035%0.345CS..Hα-helixtrans-65.8-35.7178.1173.70000111.7S573 E575 W581 W589 V590 Q593 F594 I597S573-V577 WeakPolarHBondContact O-CB 3.42Å; S573-V577 WeakPolarHBondContact O-CG2 3.33Å; S573-V577 PolarHBondContact O-N 3.19Å; E575-V577 PolarHBondContact O-N 3.5Å; V577-W581 PolarHBondContact O-N 3.37Å; V577-W589 HydrophobicContact CG2-CH2 4.27Å; V577-W589 HydrophobicContact CG2-CZ3 4.48Å; V577-V590 HydrophobicContact CG1-CG1 3.92Å; V577-Q593 HydrophobicContact CG1-CB 4.33Å; V577-Q593 HydrophobicContact CG2-CB 3.57Å; V577-Q593 HydrophobicContact CG2-CG 4.17Å; V577-F594 HydrophobicContact CG1-CD1 4.3Å; V577-F594 HydrophobicContact CG1-CD2 3.87Å; V577-F594 HydrophobicContact CG1-CE1 4.03Å; V577-F594 HydrophobicContact CG1-CE2 3.55Å; V577-F594 HydrophobicContact CG1-CG 4.23Å; V577-F594 HydrophobicContact CG1-CZ 3.64Å; V577-I597 HydrophobicContact CG2-CD1 4.28Å
578K93.7Very high91.7Very high73 Ų7374.1 Ų74.132%0.31737%0.365SS..Hα-helixtrans-71.8-31.2175.2-73.7164.169.5179.60112.7L574 E575 H576 R582 F594 A617L574-K578 HydrophobicContact CD1-CD 4.42Å; L574-K578 HydrophobicContact CD2-CD 3.58Å; L574-K578 HydrophobicContact CG-CD 3.71Å; L574-K578 WeakPolarHBondContact O-CB 3.48Å; L574-K578 WeakPolarHBondContact O-CD 3.32Å; L574-K578 WeakPolarHBondContact O-CG 3.27Å; L574-K578 PolarHBondContact O-N 2.77Å; E575-K578 PolarHBondContact O-N 2.77Å; H576-K578 VanDerWaalsContact C-N 3.34Å; H576-K578 PolarHBondContact O-N 3.38Å; K578-R582 WeakPolarHBondContact O-CG 3.33Å; K578-R582 PolarHBondContact O-N 2.84Å; K578-F594 HydrophobicContact CG-CZ 4.24Å; K578-A617 HydrophobicContact CD-CB 4.09Å
579E93.6Very high91.8Very high130 Ų13073.8 Ų73.861%0.60735%0.35SS*.Hα-helixtrans-69.8-47.2170.7-177164.2-131.500111.5E575 H576 W581 R582 S583E575-E579 PolarHBondContact O-N 2.71Å; H576-E579 PolarHBondContact O-N 2.91Å; E579-W581 VanDerWaalsContact C-N 3.27Å; E579-W581 PolarHBondContact O-N 3.07Å; E579-R582 CarbonylContact O-C 3.51Å; E579-R582 WeakPolarHBondContact O-CA 3.26Å; E579-R582 WeakPolarHBondContact O-CB 3.45Å; E579-R582 PolarHBondContact O-N 3.01Å; E579-S583 PolarHBondContact O-N 3.2Å
580K91.7Very high91.9Very high68 Ų6872.4 Ų72.430%0.29634%0.342SS..Hα-helixtrans-58-35.9175-69.9-90.2-175.6156.10113.1E549 H576 S583 T585 W589E549-K580 IonicContact OE1-NZ 3.32Å; H576-K580 VanDerWaalsContact CE1-CE 3.41Å; H576-K580 WeakPolarHBondContact CE1-CE 3.46Å; H576-K580 WeakPolarHBondContact O-CB 3.34Å; H576-K580 WeakPolarHBondContact O-CG 3.37Å; H576-K580 PolarHBondContact O-N 3.44Å; K580-S583 WeakPolarHBondContact CA-OG 3.42Å; K580-S583 PolarHBondContact O-N 2.95Å; K580-S583 PolarHBondContact O-OG 3.49Å; K580-T585 WeakPolarHBondContact O-CB 3.24Å; K580-T585 PolarHBondContact O-N 2.73Å; K580-T585 PolarHBondContact O-OG1 3.03Å; K580-W589 HydrophobicContact CB-CH2 4Å; K580-W589 HydrophobicContact CB-CZ3 3.56Å; K580-W589 HydrophobicContact CD-CH2 4.09Å; K580-W589 HydrophobicContact CD-CZ3 4.27Å; K580-W589 HydrophobicContact CG-CH2 3.75Å; K580-W589 HydrophobicContact CG-CZ3 3.86Å
581W92.9Very high91.9Very high53 Ų5372.7 Ų72.720%0.20134%0.344CS..Hα-helixtrans-65.2-44.9172.3-178-118.2000112V577 E579 S583 N584 Y587 V590 V621 E624 A625V577-W581 PolarHBondContact O-N 3.37Å; E579-W581 VanDerWaalsContact C-N 3.27Å; E579-W581 PolarHBondContact O-N 3.07Å; W581-S583 VanDerWaalsContact C-N 3.25Å; W581-S583 PolarHBondContact O-N 3.46Å; W581-N584 PolarHBondContact O-N 3.31Å; W581-Y587 HydrophobicContact CH2-CD2 4.19Å; W581-Y587 HydrophobicContact CZ3-CD2 4.12Å; W581-V590 HydrophobicContact CB-CG1 4.36Å; W581-V590 HydrophobicContact CE3-CB 4.4Å; W581-V590 HydrophobicContact CE3-CG1 4.27Å; W581-V590 HydrophobicContact CE3-CG2 4.08Å; W581-V621 HydrophobicContact CD2-CG1 3.83Å; W581-V621 HydrophobicContact CD2-CG2 4.3Å; W581-V621 HydrophobicContact CE3-CG1 4.15Å; W581-V621 HydrophobicContact CG-CG1 4.29Å; W581-V621 HydrophobicContact CG-CG2 3.94Å; W581-V621 HydrophobicContact CH2-CG1 4.31Å; W581-V621 HydrophobicContact CZ2-CG1 4.02Å; W581-V621 HydrophobicContact CZ3-CG1 4.38Å; W581-E624 HydrophobicContact CZ2-CB 3.93Å; W581-E624 PolarHBondContact NE1-OE2 3.49Å; W581-A625 HydrophobicContact CH2-CB 4.19Å
582R90.5Very high91.9Very high183 Ų18371.2 Ų71.269%0.69134%0.339SS*.Hα-helixtrans-63.3-29.2175.7-67.2166.4-177.4146.5-7.5113.1K578 E579 N584K578-R582 WeakPolarHBondContact O-CG 3.33Å; K578-R582 PolarHBondContact O-N 2.84Å; E579-R582 CarbonylContact O-C 3.51Å; E579-R582 WeakPolarHBondContact O-CA 3.26Å; E579-R582 WeakPolarHBondContact O-CB 3.45Å; E579-R582 PolarHBondContact O-N 3.01Å; R582-N584 PolarHBondContact O-N 3.14Å
583S90.5Very high91.9Very high76 Ų7667.4 Ų67.453%0.53132%0.319SS..THydrogen-bonded Turntrans-79.18.9173.172.50000114.1E579 K580 W581 T585E579-S583 PolarHBondContact O-N 3.2Å; K580-S583 WeakPolarHBondContact CA-OG 3.42Å; K580-S583 PolarHBondContact O-N 2.95Å; K580-S583 PolarHBondContact O-OG 3.49Å; W581-S583 VanDerWaalsContact C-N 3.25Å; W581-S583 PolarHBondContact O-N 3.46Å; S583-T585 PolarHBondContact OG-OG1 3.14Å
584N80.8Confident91.9Very high150 Ų15067.4 Ų67.480%0.80232%0.319SS*.THydrogen-bonded Turntrans60.142.6-177.9-57.2-71.6000114W581 R582W581-N584 PolarHBondContact O-N 3.31Å; R582-N584 PolarHBondContact O-N 3.14Å
585T75.5Confident91.9Very high37 Ų3769.5 Ų69.523%0.22733%0.328CS..  trans-70151.6170.3-54.60000111.5K580 S583 Y587 W589 V590K580-T585 WeakPolarHBondContact O-CB 3.24Å; K580-T585 PolarHBondContact O-N 2.73Å; K580-T585 PolarHBondContact O-OG1 3.03Å; S583-T585 PolarHBondContact OG-OG1 3.14Å; T585-Y587 PolarHBondContact O-N 3.29Å; T585-W589 HydrophobicContact CG2-CD2 4.21Å; T585-W589 HydrophobicContact CG2-CE3 3.7Å; T585-W589 HydrophobicContact CG2-CZ3 4.28Å; T585-V590 HydrophobicContact CG2-CG2 4.49Å
586D91.6Very high91.9Very high128 Ų12863.7 Ų63.768%0.68430%0.3SS*.  trans-46.9124.6178.5-72.9-47.3000113.8H588 W589 V590D586-H588 PolarHBondContact O-N 3.43Å; D586-H588 VanDerWaalsContact O-N 3.15Å; D586-W589 HydrophobicContact CB-CB 4.49Å; D586-W589 PolarHBondContact O-N 2.88Å; D586-W589 VanDerWaalsContact O-N 3.09Å; D586-V590 PolarHBondContact O-N 2.99Å; D586-V590 VanDerWaalsContact O-N 3.14Å
587Y92Very high91.9Very high45 Ų4561.3 Ų61.318%0.17629%0.29CS..Hα-helixtrans-54.5-36.9178.9173-111.8000113W581 T585 W589 V590 C591 V621 A625 D627W581-Y587 HydrophobicContact CH2-CD2 4.19Å; W581-Y587 HydrophobicContact CZ3-CD2 4.12Å; T585-Y587 PolarHBondContact O-N 3.29Å; Y587-W589 PolarHBondContact O-N 3.26Å; Y587-V590 PolarHBondContact O-N 2.9Å; Y587-C591 HydrophobicContact CE1-CB 4.37Å; Y587-C591 HydrophobicContact CE2-CB 4.13Å; Y587-C591 VanDerWaalsContact O-CB 3.24Å; Y587-C591 WeakPolarHBondContact O-CB 3.21Å; Y587-C591 PolarHBondContact O-N 3.05Å; Y587-V621 HydrophobicContact CD2-CG1 4.2Å; Y587-V621 HydrophobicContact CE2-CG1 4.09Å; Y587-A625 HydrophobicContact CD1-CB 4.03Å; Y587-A625 HydrophobicContact CD2-CB 3.32Å; Y587-A625 HydrophobicContact CE1-CB 4.1Å; Y587-A625 HydrophobicContact CE2-CB 3.4Å; Y587-A625 VanDerWaalsContact CE2-CB 3.4Å; Y587-A625 HydrophobicContact CG-CB 3.66Å; Y587-D627 HydrophobicContact CE1-CB 4.21Å; Y587-D627 VanDerWaalsContact OH-CB 3.27Å; Y587-D627 WeakPolarHBondContact OH-CB 3.38Å
588H92.8Very high91.9Very high151 Ų15162.8 Ų62.870%0.69930%0.295SS*.Hα-helixtrans-61.9-43.5179-71-53.9000112.6D586 E592D586-H588 PolarHBondContact O-N 3.43Å; D586-H588 VanDerWaalsContact O-N 3.15Å; H588-E592 WeakPolarHBondContact O-CB 3.42Å; H588-E592 PolarHBondContact O-N 2.85Å
589W93.7Very high91.9Very high59 Ų5960.2 Ų60.222%0.22328%0.284CS..Hα-helixtrans-65.9-45.1175.8176.695.2000110.8E549 V577 K580 T585 D586 Y587 C591 E592 Q593E549-W589 HydrophobicContact CG-CZ2 4.01Å; E549-W589 WeakPolarHBondContact OE2-CZ2 3.23Å; V577-W589 HydrophobicContact CG2-CH2 4.27Å; V577-W589 HydrophobicContact CG2-CZ3 4.48Å; K580-W589 HydrophobicContact CB-CH2 4Å; K580-W589 HydrophobicContact CB-CZ3 3.56Å; K580-W589 HydrophobicContact CD-CH2 4.09Å; K580-W589 HydrophobicContact CD-CZ3 4.27Å; K580-W589 HydrophobicContact CG-CH2 3.75Å; K580-W589 HydrophobicContact CG-CZ3 3.86Å; T585-W589 HydrophobicContact CG2-CD2 4.21Å; T585-W589 HydrophobicContact CG2-CE3 3.7Å; T585-W589 HydrophobicContact CG2-CZ3 4.28Å; D586-W589 HydrophobicContact CB-CB 4.49Å; D586-W589 PolarHBondContact O-N 2.88Å; D586-W589 VanDerWaalsContact O-N 3.09Å; Y587-W589 PolarHBondContact O-N 3.26Å; W589-C591 PolarHBondContact O-N 3.45Å; W589-E592 PolarHBondContact O-N 3.29Å; W589-Q593 HydrophobicContact CD2-CG 3.98Å; W589-Q593 HydrophobicContact CE3-CG 4.22Å; W589-Q593 HydrophobicContact CH2-CG 3.9Å; W589-Q593 HydrophobicContact CZ2-CG 3.66Å; W589-Q593 HydrophobicContact CZ3-CG 4.17Å; W589-Q593 WeakPolarHBondContact O-CG 3.47Å; W589-Q593 PolarHBondContact O-N 3.44Å
590V94.6Very high91.8Very high0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-60.9-44179174.40000111.3V577 W581 T585 D586 Y587 Q593 F594 V621V577-V590 HydrophobicContact CG1-CG1 3.92Å; W581-V590 HydrophobicContact CB-CG1 4.36Å; W581-V590 HydrophobicContact CE3-CB 4.4Å; W581-V590 HydrophobicContact CE3-CG1 4.27Å; W581-V590 HydrophobicContact CE3-CG2 4.08Å; T585-V590 HydrophobicContact CG2-CG2 4.49Å; D586-V590 PolarHBondContact O-N 2.99Å; D586-V590 VanDerWaalsContact O-N 3.14Å; Y587-V590 PolarHBondContact O-N 2.9Å; V590-Q593 PolarHBondContact O-N 3.41Å; V590-F594 HydrophobicContact CG1-CD2 3.77Å; V590-F594 HydrophobicContact CG1-CE2 3.56Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.41Å; V590-F594 PolarHBondContact O-N 3.18Å; V590-V621 HydrophobicContact CG1-CG1 3.86Å
591C94.1Very high91.8Very high6 Ų650.9 Ų50.94%0.04124%0.242CC..Hα-helixtrans-64-41176.1-175.90000112.2Y587 W589 F594 K595Y587-C591 HydrophobicContact CE1-CB 4.37Å; Y587-C591 HydrophobicContact CE2-CB 4.13Å; Y587-C591 VanDerWaalsContact O-CB 3.24Å; Y587-C591 WeakPolarHBondContact O-CB 3.21Å; Y587-C591 PolarHBondContact O-N 3.05Å; W589-C591 PolarHBondContact O-N 3.45Å; C591-F594 PolarHBondContact O-N 3.3Å; C591-K595 WeakPolarHBondContact O-CB 3.2Å; C591-K595 WeakPolarHBondContact O-CD 3.27Å; C591-K595 VanDerWaalsContact O-CG 3.27Å; C591-K595 WeakPolarHBondContact O-CG 3.3Å; C591-K595 PolarHBondContact O-N 2.86Å; C591-K595 WeakPolarHBondContact SG-CE 3.32Å; C591-K595 PolarHBondContact SG-NZ 3.37Å
592E93.9Very high91.7Very high68 Ų6853 Ų5332%0.31826%0.26SS..Hα-helixtrans-63.8-45.1176.4-163.7-173.1152.700111.9Q551 Y552 H588 W589 F594 K595 S596Q551-E592 WeakPolarHBondContact CA-OE1 3.46Å; Q551-E592 VanDerWaalsContact CB-OE1 3.27Å; Q551-E592 WeakPolarHBondContact CB-OE1 3.38Å; Q551-E592 WeakPolarHBondContact CG-OE1 3.45Å; Y552-E592 PolarHBondContact N-OE1 2.77Å; H588-E592 WeakPolarHBondContact O-CB 3.42Å; H588-E592 PolarHBondContact O-N 2.85Å; W589-E592 PolarHBondContact O-N 3.29Å; E592-F594 PolarHBondContact O-N 2.9Å; E592-K595 WeakPolarHBondContact O-CB 3.43Å; E592-K595 PolarHBondContact O-N 3.48Å; E592-S596 WeakPolarHBondContact O-CB 3.33Å; E592-S596 PolarHBondContact O-N 3.25Å
593Q95.3Very high91.6Very high8 Ų845.9 Ų45.94%0.03724%0.238CC..Hα-helixtrans-62.1-43.1176.5-65.6-64-22.600111.6K550 V577 W589 V590 K595 S596 I597K550-Q593 PolarHBondContact O-OE1 3Å; V577-Q593 HydrophobicContact CG1-CB 4.33Å; V577-Q593 HydrophobicContact CG2-CB 3.57Å; V577-Q593 HydrophobicContact CG2-CG 4.17Å; W589-Q593 HydrophobicContact CD2-CG 3.98Å; W589-Q593 HydrophobicContact CE3-CG 4.22Å; W589-Q593 HydrophobicContact CH2-CG 3.9Å; W589-Q593 HydrophobicContact CZ2-CG 3.66Å; W589-Q593 HydrophobicContact CZ3-CG 4.17Å; W589-Q593 WeakPolarHBondContact O-CG 3.47Å; W589-Q593 PolarHBondContact O-N 3.44Å; V590-Q593 PolarHBondContact O-N 3.41Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 3.38Å; Q593-S596 WeakPolarHBondContact O-CB 3.22Å; Q593-S596 PolarHBondContact O-N 2.96Å; Q593-I597 VanDerWaalsContact O-CG1 3.31Å; Q593-I597 WeakPolarHBondContact O-CG1 3.17Å; Q593-I597 PolarHBondContact O-N 2.99Å
594F95.5Very high91.5Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-64.8-35174.2-79.8-59.5000113.3V577 K578 V590 C591 E592 R598 A617 H618 V621V577-F594 HydrophobicContact CG1-CD1 4.3Å; V577-F594 HydrophobicContact CG1-CD2 3.87Å; V577-F594 HydrophobicContact CG1-CE1 4.03Å; V577-F594 HydrophobicContact CG1-CE2 3.55Å; V577-F594 HydrophobicContact CG1-CG 4.23Å; V577-F594 HydrophobicContact CG1-CZ 3.64Å; K578-F594 HydrophobicContact CG-CZ 4.24Å; V590-F594 HydrophobicContact CG1-CD2 3.77Å; V590-F594 HydrophobicContact CG1-CE2 3.56Å; V590-F594 VanDerWaalsContact O-CD2 3.23Å; V590-F594 WeakPolarHBondContact O-CD2 3.41Å; V590-F594 PolarHBondContact O-N 3.18Å; C591-F594 PolarHBondContact O-N 3.3Å; E592-F594 PolarHBondContact O-N 2.9Å; F594-R598 WeakPolarHBondContact O-CB 3.49Å; F594-R598 VanDerWaalsContact O-CG 3.26Å; F594-R598 WeakPolarHBondContact O-CG 3.1Å; F594-R598 PolarHBondContact O-N 3.19Å; F594-A617 HydrophobicContact CE1-CB 4.02Å; F594-A617 HydrophobicContact CZ-CB 4.18Å; F594-H618 HydrophobicContact CB-CB 3.85Å; F594-H618 VanDerWaalsContact CB-CG 3.42Å; F594-H618 WeakPolarHBondContact CB-ND1 3.49Å; F594-H618 HydrophobicContact CD1-CB 3.92Å; F594-H618 HydrophobicContact CD2-CB 4.11Å; F594-H618 AromaticContact CD2-CD2 3.78Å; F594-H618 HydrophobicContact CE1-CB 4.48Å; F594-H618 HydrophobicContact CG-CB 3.73Å; F594-H618 AromaticContact CG-CD2 3.95Å; F594-H618 AromaticContact CG-CG 3.75Å; F594-V621 HydrophobicContact CE2-CB 4.17Å; F594-V621 HydrophobicContact CE2-CG1 4.35Å; F594-V621 HydrophobicContact CE2-CG2 3.91Å; F594-V621 HydrophobicContact CZ-CG2 4.34Å
595K94.3Very high91.8Very high53 Ų5337.8 Ų37.823%0.2320%0.2CC..Hα-helixtrans-64.1-41.8173-76.8164.8172.8166.30111.6Y552 C591 E592 Q593 R598 Q599 E630Y552-K595 HydrophobicContact CD1-CB 4.44Å; Y552-K595 HydrophobicContact CD2-CB 3.68Å; Y552-K595 HydrophobicContact CE2-CB 4.18Å; Y552-K595 HydrophobicContact CG-CB 3.82Å; C591-K595 WeakPolarHBondContact O-CB 3.2Å; C591-K595 WeakPolarHBondContact O-CD 3.27Å; C591-K595 VanDerWaalsContact O-CG 3.27Å; C591-K595 WeakPolarHBondContact O-CG 3.3Å; C591-K595 PolarHBondContact O-N 2.86Å; C591-K595 WeakPolarHBondContact SG-CE 3.32Å; C591-K595 PolarHBondContact SG-NZ 3.37Å; E592-K595 WeakPolarHBondContact O-CB 3.43Å; E592-K595 PolarHBondContact O-N 3.48Å; Q593-K595 VanDerWaalsContact C-N 3.34Å; Q593-K595 PolarHBondContact O-N 3.38Å; K595-R598 PolarHBondContact O-N 3.29Å; K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.48Å; K595-Q599 PolarHBondContact O-N 2.85Å; K595-E630 WeakPolarHBondContact CE-OE1 3.37Å; K595-E630 WeakPolarHBondContact CE-OE2 3.26Å; K595-E630 IonicContact NZ-OE1 2.69Å; K595-E630 PolarHBondContact NZ-OE1 2.89Å; K595-E630 IonicContact NZ-OE2 3.19Å
596S94.1Very high92.3Very high0 Ų036.8 Ų36.80%019%0.193CC..Hα-helixtrans-61.5-47174.6-177.10000112.2K550 Q551 R565 E592 Q593 Q599 D600K550-S596 WeakPolarHBondContact CB-OG 3.17Å; K550-S596 WeakPolarHBondContact CD-OG 2.89Å; K550-S596 WeakPolarHBondContact CG-OG 3.35Å; K550-S596 WeakPolarHBondContact O-CB 3.39Å; K550-S596 PolarHBondContact O-OG 3.3Å; Q551-S596 PolarHBondContact O-OG 3.29Å; R565-S596 VanDerWaalsContact NH2-C 3.26Å; R565-S596 PolarHBondContact NH2-OG 3.12Å; E592-S596 WeakPolarHBondContact O-CB 3.33Å; E592-S596 PolarHBondContact O-N 3.25Å; Q593-S596 WeakPolarHBondContact O-CB 3.22Å; Q593-S596 PolarHBondContact O-N 2.96Å; S596-Q599 WeakPolarHBondContact O-CB 3.24Å; S596-Q599 PolarHBondContact O-N 3.48Å; S596-D600 VanDerWaalsContact O-CG 3.32Å; S596-D600 PolarHBondContact O-N 3Å
597I94.9Very high92Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-64-44.7175.9-63.8166.6000111.1L570 V577 Q593 Q599 D600 L601 V614L570-I597 HydrophobicContact CD2-CB 4.38Å; L570-I597 HydrophobicContact CD2-CG1 4.39Å; L570-I597 HydrophobicContact CD2-CG2 3.98Å; V577-I597 HydrophobicContact CG2-CD1 4.28Å; Q593-I597 VanDerWaalsContact O-CG1 3.31Å; Q593-I597 WeakPolarHBondContact O-CG1 3.17Å; Q593-I597 PolarHBondContact O-N 2.99Å; I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.03Å; I597-D600 PolarHBondContact O-N 3.22Å; I597-L601 PolarHBondContact O-N 3.1Å; I597-L601 VanDerWaalsContact O-N 3.09Å; I597-V614 HydrophobicContact CB-CG1 4.34Å; I597-V614 HydrophobicContact CG2-CB 4.47Å; I597-V614 HydrophobicContact CG2-CG1 3.61Å; I597-V614 HydrophobicContact CG2-CG2 3.93Å
598R94.2Very high91.8Very high31 Ų3135.6 Ų35.612%0.11719%0.187CC..Hα-helixtrans-61-36.6175.4-76.7169.354.1-158.6-13.3112.2F594 K595 T602 V614 Y615 H618 E630 C634F594-R598 WeakPolarHBondContact O-CB 3.49Å; F594-R598 VanDerWaalsContact O-CG 3.26Å; F594-R598 WeakPolarHBondContact O-CG 3.1Å; F594-R598 PolarHBondContact O-N 3.19Å; K595-R598 PolarHBondContact O-N 3.29Å; R598-T602 WeakPolarHBondContact O-CB 3.2Å; R598-T602 PolarHBondContact O-N 3.48Å; R598-T602 VanDerWaalsContact O-N 3.08Å; R598-T602 PolarHBondContact O-OG1 2.83Å; R598-V614 HydrophobicContact CG-CG1 3.97Å; R598-Y615 HydrophobicContact CB-CE1 4.47Å; R598-Y615 HydrophobicContact CG-CD1 4.23Å; R598-Y615 HydrophobicContact CG-CE1 3.84Å; R598-Y615 HydrophobicContact CG-CE2 4.42Å; R598-H618 WeakPolarHBondContact CD-ND1 3.49Å; R598-H618 PolarHBondContact NH1-CE1 3.09Å; R598-H618 PolarHBondContact NH1-ND1 3.13Å; R598-E630 IonicContact NH1-OE2 2.78Å; R598-E630 PolarHBondContact NH1-OE2 2.99Å; R598-C634 PolarHBondContact NH1-SG 3.06Å
599Q92.7Very high91.7Very high19 Ų1933.2 Ų33.29%0.08918%0.18CC..Hα-helixtrans-65.3-48.7174.8161.8168.47900111.7Y552 L553 K595 S596 I597 L601 T602 V603Y552-Q599 HydrophobicContact CD2-CB 4.24Å; Y552-Q599 HydrophobicContact CE2-CB 4.02Å; L553-Q599 PolarHBondContact O-NE2 3.2Å; L553-Q599 PolarHBondContact O-OE1 3.36Å; K595-Q599 VanDerWaalsContact O-CB 3.3Å; K595-Q599 WeakPolarHBondContact O-CB 3.48Å; K595-Q599 PolarHBondContact O-N 2.85Å; S596-Q599 WeakPolarHBondContact O-CB 3.24Å; S596-Q599 PolarHBondContact O-N 3.48Å; I597-Q599 VanDerWaalsContact C-N 3.29Å; I597-Q599 PolarHBondContact O-N 3.03Å; Q599-L601 VanDerWaalsContact C-N 3.29Å; Q599-L601 PolarHBondContact O-N 3.37Å; Q599-T602 PolarHBondContact O-N 3.08Å; Q599-V603 HydrophobicContact CG-CG2 4.4Å; Q599-V603 WeakPolarHBondContact O-CG2 3.48Å; Q599-V603 PolarHBondContact O-N 3.11Å
600D92.6Very high91.7Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-60.4-38.9179.5-66.7-25000111.7K550 V564 R565 L570 S596 I597 Q604K550-D600 IonicContact NZ-OD1 2.65Å; K550-D600 PolarHBondContact NZ-OD1 3.02Å; K550-D600 IonicContact NZ-OD2 2.67Å; V564-D600 HydrophobicContact CG1-CB 4.14Å; R565-D600 IonicContact CZ-OD2 2.8Å; R565-D600 VanDerWaalsContact CZ-OD2 3.23Å; R565-D600 IonicContact NE-OD2 2.89Å; R565-D600 PolarHBondContact NE-OD2 3.09Å; R565-D600 IonicContact NH2-OD2 3.97Å; R565-D600 PolarHBondContact NH2-OD2 3.46Å; L570-D600 HydrophobicContact CD1-CB 4.18Å; L570-D600 HydrophobicContact CD2-CB 3.73Å; S596-D600 VanDerWaalsContact O-CG 3.32Å; S596-D600 PolarHBondContact O-N 3Å; I597-D600 PolarHBondContact O-N 3.22Å; D600-Q604 WeakPolarHBondContact O-CB 3.26Å; D600-Q604 WeakPolarHBondContact O-CG 3.4Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 VanDerWaalsContact O-N 3.12Å; D600-Q604 PolarHBondContact O-NE2 3.35Å
601L92Very high91.6Very high2 Ų231.8 Ų31.81%0.0118%0.175CC..Hα-helixtrans-62.2-44.1171.4-72.3172000112.5L570 I597 Q599 V603 Q604 G605 I606 F610 A611 V614L570-L601 HydrophobicContact CD1-CD2 3.91Å; L570-L601 HydrophobicContact CD1-CG 4.19Å; I597-L601 PolarHBondContact O-N 3.1Å; I597-L601 VanDerWaalsContact O-N 3.09Å; Q599-L601 VanDerWaalsContact C-N 3.29Å; Q599-L601 PolarHBondContact O-N 3.37Å; L601-V603 PolarHBondContact O-N 3.3Å; L601-Q604 PolarHBondContact O-N 2.76Å; L601-G605 PolarHBondContact O-N 3.41Å; L601-G605 VanDerWaalsContact O-N 3.1Å; L601-I606 HydrophobicContact CD2-CB 3.84Å; L601-I606 HydrophobicContact CD2-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CG2 3.78Å; L601-I606 PolarHBondContact O-N 2.88Å; L601-F610 HydrophobicContact CD2-CD1 4.06Å; L601-F610 HydrophobicContact CD2-CE1 4.09Å; L601-A611 HydrophobicContact CD1-CB 3.92Å; L601-A611 HydrophobicContact CD2-CB 4.4Å; L601-V614 HydrophobicContact CD1-CB 3.99Å; L601-V614 HydrophobicContact CD1-CG1 4.22Å; L601-V614 HydrophobicContact CD1-CG2 3.83Å
602T90.3Very high91.5Very high96 Ų9631.6 Ų31.659%0.58917%0.174SC*.Hα-helixtrans-67.4-35.7-178.6-53.10000111.8R598 Q599 G605R598-T602 WeakPolarHBondContact O-CB 3.2Å; R598-T602 PolarHBondContact O-N 3.48Å; R598-T602 VanDerWaalsContact O-N 3.08Å; R598-T602 PolarHBondContact O-OG1 2.83Å; Q599-T602 PolarHBondContact O-N 3.08Å; T602-G605 PolarHBondContact O-N 2.97Å
603V88.8Confident91.5Very high35 Ų3530.5 Ų30.521%0.21217%0.174CC..Hα-helixtrans-69.3-39.4175.8167.50000111.6L555 P559 V564 Q599 L601 G605L555-V603 HydrophobicContact CD1-CG2 3.96Å; P559-V603 HydrophobicContact CB-CG1 4.07Å; P559-V603 HydrophobicContact CG-CB 4.45Å; P559-V603 HydrophobicContact CG-CG1 3.44Å; P559-V603 VanDerWaalsContact CG-CG1 3.44Å; P559-V603 HydrophobicContact CG-CG2 4.1Å; V564-V603 HydrophobicContact CG1-CG1 4.47Å; V564-V603 HydrophobicContact CG2-CG1 3.93Å; Q599-V603 HydrophobicContact CG-CG2 4.4Å; Q599-V603 WeakPolarHBondContact O-CG2 3.48Å; Q599-V603 PolarHBondContact O-N 3.11Å; L601-V603 PolarHBondContact O-N 3.3Å; V603-G605 VanDerWaalsContact C-N 3.26Å; V603-G605 PolarHBondContact O-N 2.98Å
604Q87.9Confident91.5Very high6 Ų630.1 Ų30.13%0.02817%0.172CC..THydrogen-bonded Turntrans-81.3-2.3178.9-63.4175.297.600113.2Q540 I541 G543 V564 R565 D600 L601 I606Q540-Q604 WeakPolarHBondContact CG-O 3.26Å; Q540-Q604 PolarHBondContact NE2-O 3.01Å; I541-Q604 WeakPolarHBondContact O-CG 3.36Å; G543-Q604 VanDerWaalsContact N-OE1 3.16Å; V564-Q604 HydrophobicContact CG1-CG 3.7Å; R565-Q604 PolarHBondContact O-NE2 2.89Å; R565-Q604 PolarHBondContact O-OE1 3Å; D600-Q604 WeakPolarHBondContact O-CB 3.26Å; D600-Q604 WeakPolarHBondContact O-CG 3.4Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 VanDerWaalsContact O-N 3.12Å; D600-Q604 PolarHBondContact O-NE2 3.35Å; L601-Q604 PolarHBondContact O-N 2.76Å; Q604-I606 HydrophobicContact CB-CD1 3.6Å; Q604-I606 HydrophobicContact CB-CG1 3.69Å; Q604-I606 HydrophobicContact CG-CD1 4.35Å; Q604-I606 PolarHBondContact O-N 3.3Å
605G86.4Confident91.5Very high50 Ų5030.8 Ų30.852%0.51518%0.175SC..THydrogen-bonded Turntrans62.222.5-175.500000114.2L601 T602 V603 E607L601-G605 PolarHBondContact O-N 3.41Å; L601-G605 VanDerWaalsContact O-N 3.1Å; T602-G605 PolarHBondContact O-N 2.97Å; V603-G605 VanDerWaalsContact C-N 3.26Å; V603-G605 PolarHBondContact O-N 2.98Å; G605-E607 PolarHBondContact O-N 2.88Å
606I86.4Confident91.5Very high16 Ų1629.3 Ų29.38%0.08217%0.169CC..  trans-82.9107.7-174.9-63170.2000109.3L567 L601 Q604 D608 A611L567-I606 HydrophobicContact CB-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CB 3.84Å; L601-I606 HydrophobicContact CD2-CD1 4.41Å; L601-I606 HydrophobicContact CD2-CG2 3.78Å; L601-I606 PolarHBondContact O-N 2.88Å; Q604-I606 HydrophobicContact CB-CD1 3.6Å; Q604-I606 HydrophobicContact CB-CG1 3.69Å; Q604-I606 HydrophobicContact CG-CD1 4.35Å; Q604-I606 PolarHBondContact O-N 3.3Å; I606-D608 HydrophobicContact CG2-CB 4.24Å; I606-D608 WeakPolarHBondContact CG2-OD2 3.46Å; I606-A611 WeakPolarHBondContact O-CB 3.4Å
607E86.4Confident91.5Very high68 Ų6829.8 Ų29.832%0.31817%0.173SC..  trans-118.247.3178.9-60.6-166125.100110.8G605 Q637 R640 L641 L646G605-E607 PolarHBondContact O-N 2.88Å; E607-Q637 PolarHBondContact OE1-NE2 3.18Å; E607-R640 IonicContact OE1-CZ 2.99Å; E607-R640 VanDerWaalsContact OE1-CZ 3.23Å; E607-R640 IonicContact OE1-NH1 3.23Å; E607-R640 PolarHBondContact OE1-NH1 3.08Å; E607-R640 IonicContact OE1-NH2 3.86Å; E607-R640 PolarHBondContact OE1-NH2 3.32Å; E607-R640 IonicContact OE2-CZ 3.29Å; E607-R640 VanDerWaalsContact OE2-CZ 3.32Å; E607-R640 IonicContact OE2-NH1 3.85Å; E607-R640 PolarHBondContact OE2-NH1 3.17Å; E607-R640 IonicContact OE2-NH2 3.34Å; E607-R640 PolarHBondContact OE2-NH2 2.94Å; E607-L641 HydrophobicContact CB-CD2 3.84Å; E607-L641 HydrophobicContact CG-CD2 4.22Å; E607-L646 WeakPolarHBondContact O-CD1 3.31Å
608D88Confident91.5Very high80 Ų8029.8 Ų29.843%0.42817%0.173SC..SBendtrans-83.1171.9176.4-64.2-28.6000113.3I606 F610 A611 V612I606-D608 HydrophobicContact CG2-CB 4.24Å; I606-D608 WeakPolarHBondContact CG2-OD2 3.46Å; D608-F610 HydrophobicContact CB-CB 4.42Å; D608-F610 PolarHBondContact O-N 3.06Å; D608-F610 VanDerWaalsContact O-N 3.16Å; D608-A611 WeakPolarHBondContact O-CA 3.41Å; D608-A611 VanDerWaalsContact O-CB 3.3Å; D608-A611 WeakPolarHBondContact O-CB 3.33Å; D608-A611 PolarHBondContact O-N 3.48Å; D608-V612 PolarHBondContact O-N 2.86Å; D608-V612 VanDerWaalsContact O-N 3.16Å
609D90.3Very high91.5Very high100 Ų10028.3 Ų28.354%0.53517%0.167SC..Hα-helixtrans-55.4-27.2164.1-82.5-39.3000112.9V612 S613 G647D609-V612 WeakPolarHBondContact O-CB 3.16Å; D609-V612 PolarHBondContact O-N 3.3Å; D609-S613 PolarHBondContact O-N 3.23Å; D609-G647 PolarHBondContact OD1-N 3.19Å
610F92.4Very high91.5Very high28 Ų2828.3 Ų28.312%0.12317%0.167CC..Hα-helixtrans-63.3-43.1170.2175-106.8000111.5L567 L570 K571 L574 L601 D608 V612 S613 V614L567-F610 HydrophobicContact CD1-CB 4.37Å; L567-F610 HydrophobicContact CD1-CD1 3.29Å; L567-F610 HydrophobicContact CD1-CE1 3.79Å; L567-F610 HydrophobicContact CD1-CG 3.96Å; L570-F610 HydrophobicContact CB-CE1 3.88Å; L570-F610 HydrophobicContact CB-CZ 4.13Å; K571-F610 HydrophobicContact CB-CE2 4.28Å; K571-F610 HydrophobicContact CB-CZ 4.47Å; K571-F610 HydrophobicContact CG-CD2 3.84Å; K571-F610 HydrophobicContact CG-CE1 4.43Å; K571-F610 HydrophobicContact CG-CE2 3.5Å; K571-F610 HydrophobicContact CG-CG 4.44Å; K571-F610 HydrophobicContact CG-CZ 3.83Å; L574-F610 HydrophobicContact CB-CZ 4.43Å; L574-F610 HydrophobicContact CD1-CE2 4.33Å; L601-F610 HydrophobicContact CD2-CD1 4.06Å; L601-F610 HydrophobicContact CD2-CE1 4.09Å; D608-F610 HydrophobicContact CB-CB 4.42Å; D608-F610 PolarHBondContact O-N 3.06Å; D608-F610 VanDerWaalsContact O-N 3.16Å; F610-V612 VanDerWaalsContact C-N 3.33Å; F610-V612 PolarHBondContact O-N 3.33Å; F610-S613 WeakPolarHBondContact O-CB 3.34Å; F610-S613 PolarHBondContact O-N 3.4Å; F610-S613 VanDerWaalsContact O-N 3.09Å; F610-S613 PolarHBondContact O-OG 2.95Å; F610-V614 HydrophobicContact CD1-CG2 4.36Å; F610-V614 HydrophobicContact CE1-CG2 3.76Å; F610-V614 HydrophobicContact CE2-CG2 4.07Å; F610-V614 HydrophobicContact CZ-CG2 3.59Å; F610-V614 PolarHBondContact O-N 2.83Å; F610-V614 VanDerWaalsContact O-N 3.08Å
611A92.9Very high91.6Very high1 Ų128.6 Ų28.61%0.00817%0.169CC..Hα-helixtrans-61-44.6176.800000110.5L601 I606 D608 S613 V614 Y615L601-A611 HydrophobicContact CD1-CB 3.92Å; L601-A611 HydrophobicContact CD2-CB 4.4Å; I606-A611 WeakPolarHBondContact O-CB 3.4Å; D608-A611 WeakPolarHBondContact O-CA 3.41Å; D608-A611 VanDerWaalsContact O-CB 3.3Å; D608-A611 WeakPolarHBondContact O-CB 3.33Å; D608-A611 PolarHBondContact O-N 3.48Å; A611-S613 VanDerWaalsContact C-N 3.3Å; A611-S613 PolarHBondContact O-N 2.71Å; A611-V614 WeakPolarHBondContact O-CB 3.31Å; A611-V614 PolarHBondContact O-N 2.82Å; A611-V614 VanDerWaalsContact O-N 3.11Å; A611-Y615 WeakPolarHBondContact O-CD2 3.48Å; A611-Y615 PolarHBondContact O-N 3.27Å
612V93.3Very high91.7Very high3 Ų328.5 Ų28.52%0.01817%0.169CC..Hα-helixtrans-50.8-50.9170.7177.70000110.7D608 D609 F610 V614 Y615 E616 L638 L641 L646D608-V612 PolarHBondContact O-N 2.86Å; D608-V612 VanDerWaalsContact O-N 3.16Å; D609-V612 WeakPolarHBondContact O-CB 3.16Å; D609-V612 PolarHBondContact O-N 3.3Å; F610-V612 VanDerWaalsContact C-N 3.33Å; F610-V612 PolarHBondContact O-N 3.33Å; V612-V614 VanDerWaalsContact C-N 3.27Å; V612-V614 PolarHBondContact O-N 3.15Å; V612-Y615 PolarHBondContact O-N 2.84Å; V612-E616 HydrophobicContact CG1-CG 4.07Å; V612-E616 WeakPolarHBondContact O-CG 3.34Å; V612-E616 PolarHBondContact O-N 3.18Å; V612-L638 HydrophobicContact CG1-CD2 3.95Å; V612-L641 HydrophobicContact CG2-CB 3.91Å; V612-L641 HydrophobicContact CG2-CD1 3.82Å; V612-L641 HydrophobicContact CG2-CG 4.4Å; V612-L646 HydrophobicContact CG2-CB 3.78Å
613S93.4Very high91.8Very high44 Ų4424 Ų2431%0.30814%0.141SC..Hα-helixtrans-60.4-31-179.182.80000114.3D609 F610 A611 A617D609-S613 PolarHBondContact O-N 3.23Å; F610-S613 WeakPolarHBondContact O-CB 3.34Å; F610-S613 PolarHBondContact O-N 3.4Å; F610-S613 VanDerWaalsContact O-N 3.09Å; F610-S613 PolarHBondContact O-OG 2.95Å; A611-S613 VanDerWaalsContact C-N 3.3Å; A611-S613 PolarHBondContact O-N 2.71Å; S613-A617 VanDerWaalsContact O-CB 3.26Å; S613-A617 WeakPolarHBondContact O-CB 3.26Å; S613-A617 PolarHBondContact O-N 2.9Å
614V95Very high91.9Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-69.7-47.4171.9178.10000111L574 I597 R598 L601 F610 A611 V612 E616 A617 H618L574-V614 HydrophobicContact CD1-CB 4.12Å; L574-V614 HydrophobicContact CD1-CG2 3.55Å; I597-V614 HydrophobicContact CB-CG1 4.34Å; I597-V614 HydrophobicContact CG2-CB 4.47Å; I597-V614 HydrophobicContact CG2-CG1 3.61Å; I597-V614 HydrophobicContact CG2-CG2 3.93Å; R598-V614 HydrophobicContact CG-CG1 3.97Å; L601-V614 HydrophobicContact CD1-CB 3.99Å; L601-V614 HydrophobicContact CD1-CG1 4.22Å; L601-V614 HydrophobicContact CD1-CG2 3.83Å; F610-V614 HydrophobicContact CD1-CG2 4.36Å; F610-V614 HydrophobicContact CE1-CG2 3.76Å; F610-V614 HydrophobicContact CE2-CG2 4.07Å; F610-V614 HydrophobicContact CZ-CG2 3.59Å; F610-V614 PolarHBondContact O-N 2.83Å; F610-V614 VanDerWaalsContact O-N 3.08Å; A611-V614 WeakPolarHBondContact O-CB 3.31Å; A611-V614 PolarHBondContact O-N 2.82Å; A611-V614 VanDerWaalsContact O-N 3.11Å; V612-V614 VanDerWaalsContact C-N 3.27Å; V612-V614 PolarHBondContact O-N 3.15Å; V614-E616 VanDerWaalsContact C-N 3.33Å; V614-E616 PolarHBondContact O-N 3.08Å; V614-A617 PolarHBondContact O-N 3.24Å; V614-H618 PolarHBondContact O-N 2.59Å
615Y95Very high92.1Very high15 Ų1527.9 Ų27.96%0.05917%0.165CC..Hα-helixtrans-64.1-38.3179.2-81.7-76.7000112.2R598 A611 V612 A619 C634 Q637 L641R598-Y615 HydrophobicContact CB-CE1 4.47Å; R598-Y615 HydrophobicContact CG-CD1 4.23Å; R598-Y615 HydrophobicContact CG-CE1 3.84Å; R598-Y615 HydrophobicContact CG-CE2 4.42Å; A611-Y615 WeakPolarHBondContact O-CD2 3.48Å; A611-Y615 PolarHBondContact O-N 3.27Å; V612-Y615 PolarHBondContact O-N 2.84Å; Y615-A619 VanDerWaalsContact O-CB 3.26Å; Y615-A619 WeakPolarHBondContact O-CB 3.36Å; Y615-A619 PolarHBondContact O-N 2.65Å; Y615-C634 HydrophobicContact CD1-CB 4.44Å; Y615-Q637 HydrophobicContact CD1-CB 3.96Å; Y615-Q637 HydrophobicContact CD1-CG 4.13Å; Y615-Q637 HydrophobicContact CD2-CG 4.2Å; Y615-Q637 HydrophobicContact CE1-CB 3.65Å; Y615-Q637 HydrophobicContact CE1-CG 3.65Å; Y615-Q637 HydrophobicContact CE2-CG 3.8Å; Y615-Q637 HydrophobicContact CG-CG 4.41Å; Y615-L641 HydrophobicContact CD2-CD1 3.94Å; Y615-L641 HydrophobicContact CE2-CD1 4.46Å
616E93.8Very high92.3Very high22 Ų2227 Ų2710%0.10316%0.156CC..Hα-helixtrans-64.7-49.4172.4-71.6-165.8171.400112.6V612 V614 H618 A619 D620 L638 R650 F654V612-E616 HydrophobicContact CG1-CG 4.07Å; V612-E616 WeakPolarHBondContact O-CG 3.34Å; V612-E616 PolarHBondContact O-N 3.18Å; V614-E616 VanDerWaalsContact C-N 3.33Å; V614-E616 PolarHBondContact O-N 3.08Å; E616-H618 VanDerWaalsContact C-N 3.33Å; E616-H618 PolarHBondContact O-N 3.46Å; E616-A619 WeakPolarHBondContact O-CB 3.36Å; E616-A619 PolarHBondContact O-N 3.15Å; E616-A619 VanDerWaalsContact O-N 3.12Å; E616-D620 WeakPolarHBondContact O-CB 3.5Å; E616-D620 PolarHBondContact O-N 3.33Å; E616-L638 HydrophobicContact CG-CD1 4.42Å; E616-L638 HydrophobicContact CG-CD2 4Å; E616-R650 WeakPolarHBondContact OE1-CB 3.32Å; E616-R650 VanDerWaalsContact OE2-CD 3.26Å; E616-R650 WeakPolarHBondContact OE2-CD 3.31Å; E616-R650 IonicContact OE2-CZ 3.3Å; E616-R650 IonicContact OE2-NE 3.74Å; E616-R650 IonicContact OE2-NH1 2.7Å; E616-R650 PolarHBondContact OE2-NH1 3.13Å; E616-F654 HydrophobicContact CB-CE2 4.31Å; E616-F654 HydrophobicContact CB-CZ 4.16Å; E616-F654 HydrophobicContact CG-CE2 3.64Å; E616-F654 HydrophobicContact CG-CZ 3.93Å
617A94.5Very high92.5Very high10 Ų1028.5 Ų28.58%0.08316%0.164CC..Hα-helixtrans-61-42.4-179.100000111.6L574 K578 F594 S613 V614 D620 V621L574-A617 HydrophobicContact CD1-CB 4.34Å; K578-A617 HydrophobicContact CD-CB 4.09Å; F594-A617 HydrophobicContact CE1-CB 4.02Å; F594-A617 HydrophobicContact CZ-CB 4.18Å; S613-A617 VanDerWaalsContact O-CB 3.26Å; S613-A617 WeakPolarHBondContact O-CB 3.26Å; S613-A617 PolarHBondContact O-N 2.9Å; V614-A617 PolarHBondContact O-N 3.24Å; A617-D620 PolarHBondContact O-N 3.45Å; A617-V621 WeakPolarHBondContact O-CG2 3.43Å; A617-V621 PolarHBondContact O-N 2.99Å; A617-V621 VanDerWaalsContact O-N 3.08Å
618H95.4Very high92.8Very high0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-67.5-37.4174.7-171.2-171000111.8F594 R598 V614 E616 V621 A622 E630F594-H618 HydrophobicContact CB-CB 3.85Å; F594-H618 VanDerWaalsContact CB-CG 3.42Å; F594-H618 WeakPolarHBondContact CB-ND1 3.49Å; F594-H618 HydrophobicContact CD1-CB 3.92Å; F594-H618 HydrophobicContact CD2-CB 4.11Å; F594-H618 AromaticContact CD2-CD2 3.78Å; F594-H618 HydrophobicContact CE1-CB 4.48Å; F594-H618 HydrophobicContact CG-CB 3.73Å; F594-H618 AromaticContact CG-CD2 3.95Å; F594-H618 AromaticContact CG-CG 3.75Å; R598-H618 WeakPolarHBondContact CD-ND1 3.49Å; R598-H618 PolarHBondContact NH1-CE1 3.09Å; R598-H618 PolarHBondContact NH1-ND1 3.13Å; V614-H618 PolarHBondContact O-N 2.59Å; E616-H618 VanDerWaalsContact C-N 3.33Å; E616-H618 PolarHBondContact O-N 3.46Å; H618-V621 PolarHBondContact O-N 3.38Å; H618-A622 WeakPolarHBondContact O-CB 3.44Å; H618-A622 PolarHBondContact O-N 2.83Å; H618-E630 IonicContact CE1-OE2 3.88Å
619A94.6Very high93Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-64.2-41.6174.800000112.4Y615 E616 A622 L623 F631 C634 L638 F654Y615-A619 VanDerWaalsContact O-CB 3.26Å; Y615-A619 WeakPolarHBondContact O-CB 3.36Å; Y615-A619 PolarHBondContact O-N 2.65Å; E616-A619 WeakPolarHBondContact O-CB 3.36Å; E616-A619 PolarHBondContact O-N 3.15Å; E616-A619 VanDerWaalsContact O-N 3.12Å; A619-A622 PolarHBondContact O-N 3.32Å; A619-L623 VanDerWaalsContact O-CG 3.29Å; A619-L623 WeakPolarHBondContact O-CG 3.42Å; A619-L623 PolarHBondContact O-N 2.94Å; A619-F631 HydrophobicContact CB-CD2 3.98Å; A619-F631 HydrophobicContact CB-CE2 4.18Å; A619-C634 HydrophobicContact CB-CB 3.83Å; A619-L638 HydrophobicContact CB-CD1 4.47Å; A619-F654 HydrophobicContact CB-CE1 3.78Å; A619-F654 HydrophobicContact CB-CZ 4.25Å
620D92.9Very high93.1Very high18 Ų1826.9 Ų26.910%0.09615%0.15CC..Hα-helixtrans-62.9-43.1176.9-77.4-36.2000111.7E616 A617 L623 E624 R650 R722E616-D620 WeakPolarHBondContact O-CB 3.5Å; E616-D620 PolarHBondContact O-N 3.33Å; A617-D620 PolarHBondContact O-N 3.45Å; D620-L623 WeakPolarHBondContact O-CB 3.48Å; D620-L623 PolarHBondContact O-N 3.33Å; D620-E624 WeakPolarHBondContact O-CG 3.38Å; D620-E624 PolarHBondContact O-N 2.93Å; D620-E624 VanDerWaalsContact O-N 3.08Å; D620-R650 VanDerWaalsContact CG-NH2 3.34Å; D620-R650 IonicContact OD1-CZ 2.71Å; D620-R650 IonicContact OD1-NH1 3.76Å; D620-R650 IonicContact OD1-NH2 2.95Å; D620-R650 PolarHBondContact OD1-NH2 3.31Å; D620-R650 IonicContact OD2-CZ 3.87Å; D620-R650 IonicContact OD2-NH1 3.64Å; D620-R650 PolarHBondContact OD2-NH1 3.06Å; D620-R650 IonicContact OD2-NH2 3.51Å; D620-R650 PolarHBondContact OD2-NH2 2.96Å; D620-R722 VanDerWaalsContact CG-CZ 3.46Å; D620-R722 WeakPolarHBondContact OD1-CD 3.31Å; D620-R722 IonicContact OD1-CZ 3.18Å; D620-R722 IonicContact OD1-NE 2.77Å; D620-R722 IonicContact OD1-NH1 3.26Å; D620-R722 PolarHBondContact OD1-NH1 3.06Å; D620-R722 IonicContact OD2-CZ 3.92Å; D620-R722 IonicContact OD2-NH1 3.73Å; D620-R722 PolarHBondContact OD2-NH1 3.33Å
621V93.8Very high93.2Very high7 Ų725.6 Ų25.64%0.04214%0.144CC..Hα-helixtrans-67.7-39175.3171.90000112W581 Y587 V590 F594 A617 H618 L623 E624 A625W581-V621 HydrophobicContact CD2-CG1 3.83Å; W581-V621 HydrophobicContact CD2-CG2 4.3Å; W581-V621 HydrophobicContact CE3-CG1 4.15Å; W581-V621 HydrophobicContact CG-CG1 4.29Å; W581-V621 HydrophobicContact CG-CG2 3.94Å; W581-V621 HydrophobicContact CH2-CG1 4.31Å; W581-V621 HydrophobicContact CZ2-CG1 4.02Å; W581-V621 HydrophobicContact CZ3-CG1 4.38Å; Y587-V621 HydrophobicContact CD2-CG1 4.2Å; Y587-V621 HydrophobicContact CE2-CG1 4.09Å; V590-V621 HydrophobicContact CG1-CG1 3.86Å; F594-V621 HydrophobicContact CE2-CB 4.17Å; F594-V621 HydrophobicContact CE2-CG1 4.35Å; F594-V621 HydrophobicContact CE2-CG2 3.91Å; F594-V621 HydrophobicContact CZ-CG2 4.34Å; A617-V621 WeakPolarHBondContact O-CG2 3.43Å; A617-V621 PolarHBondContact O-N 2.99Å; A617-V621 VanDerWaalsContact O-N 3.08Å; H618-V621 PolarHBondContact O-N 3.38Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.02Å; V621-E624 PolarHBondContact O-N 2.8Å; V621-A625 WeakPolarHBondContact O-CB 3.44Å; V621-A625 PolarHBondContact O-N 2.91Å
622A94.3Very high93.2Very high0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-64.3-35.1173.900000112.3H618 A619 G626 D627 E630 F631H618-A622 WeakPolarHBondContact O-CB 3.44Å; H618-A622 PolarHBondContact O-N 2.83Å; A619-A622 PolarHBondContact O-N 3.32Å; A622-G626 CarbonylContact O-C 3.6Å; A622-G626 WeakPolarHBondContact O-CA 3.33Å; A622-G626 PolarHBondContact O-N 2.91Å; A622-D627 PolarHBondContact O-N 2.94Å; A622-E630 HydrophobicContact CB-CB 4.21Å; A622-F631 HydrophobicContact CB-CB 4.14Å
623L92.6Very high93.2Very high1 Ų131 Ų311%0.00517%0.169CC..Hα-helixtrans-66.5-39.3172.7-72173.9000112.7A619 D620 V621 G626 F631 Y657 R722 H725 V726 W729A619-L623 VanDerWaalsContact O-CG 3.29Å; A619-L623 WeakPolarHBondContact O-CG 3.42Å; A619-L623 PolarHBondContact O-N 2.94Å; D620-L623 WeakPolarHBondContact O-CB 3.48Å; D620-L623 PolarHBondContact O-N 3.33Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 3.02Å; L623-G626 PolarHBondContact O-N 3.44Å; L623-F631 HydrophobicContact CD1-CD2 4.07Å; L623-F631 HydrophobicContact CD1-CE2 3.82Å; L623-F631 HydrophobicContact CD2-CD1 4.37Å; L623-F631 HydrophobicContact CD2-CD2 3.69Å; L623-F631 HydrophobicContact CD2-CE2 3.91Å; L623-F631 HydrophobicContact CD2-CG 3.95Å; L623-F631 HydrophobicContact CD2-CZ 4.35Å; L623-F631 HydrophobicContact CG-CD2 3.63Å; L623-F631 HydrophobicContact CG-CE2 3.9Å; L623-F631 HydrophobicContact CG-CG 4.32Å; L623-Y657 HydrophobicContact CD1-CD2 3.97Å; L623-Y657 HydrophobicContact CD1-CE2 3.85Å; L623-R722 HydrophobicContact CB-CB 4.49Å; L623-R722 HydrophobicContact CD1-CB 3.86Å; L623-H725 HydrophobicContact CB-CB 4.4Å; L623-H725 WeakPolarHBondContact O-CB 3.48Å; L623-V726 HydrophobicContact CD2-CG2 3.51Å; L623-W729 HydrophobicContact CD2-CH2 3.52Å; L623-W729 HydrophobicContact CD2-CZ2 3.89Å; L623-W729 HydrophobicContact CD2-CZ3 4.36Å
624E91.1Very high93.2Very high76 Ų7629 Ų2936%0.35515%0.154SC..Hα-helixtrans-72-39.1179.1-73.3165.2-165.300112.3W581 D620 V621 G626 R722W581-E624 HydrophobicContact CZ2-CB 3.93Å; W581-E624 PolarHBondContact NE1-OE2 3.49Å; D620-E624 WeakPolarHBondContact O-CG 3.38Å; D620-E624 PolarHBondContact O-N 2.93Å; D620-E624 VanDerWaalsContact O-N 3.08Å; V621-E624 PolarHBondContact O-N 2.8Å; E624-G626 VanDerWaalsContact C-N 3.33Å; E624-R722 IonicContact OE1-CZ 2.86Å; E624-R722 IonicContact OE1-NE 3.78Å; E624-R722 PolarHBondContact OE1-NE 3.44Å; E624-R722 IonicContact OE1-NH2 3.38Å; E624-R722 PolarHBondContact OE1-NH2 2.87Å
625A91.2Very high93.1Very high46 Ų4629.2 Ų29.238%0.3816%0.156SC..Hα-helixtrans-75-19.9172.400000113.8W581 Y587 V621W581-A625 HydrophobicContact CH2-CB 4.19Å; Y587-A625 HydrophobicContact CD1-CB 4.03Å; Y587-A625 HydrophobicContact CD2-CB 3.32Å; Y587-A625 HydrophobicContact CE1-CB 4.1Å; Y587-A625 HydrophobicContact CE2-CB 3.4Å; Y587-A625 VanDerWaalsContact CE2-CB 3.4Å; Y587-A625 HydrophobicContact CG-CB 3.66Å; V621-A625 WeakPolarHBondContact O-CB 3.44Å; V621-A625 PolarHBondContact O-N 2.91Å
626G90.2Very high92.9Very high32 Ų3230.4 Ų30.433%0.3317%0.166SC..THydrogen-bonded Turntrans8613.3-179.700000115.5A622 L623 E624 F628 W729A622-G626 CarbonylContact O-C 3.6Å; A622-G626 WeakPolarHBondContact O-CA 3.33Å; A622-G626 PolarHBondContact O-N 2.91Å; L623-G626 PolarHBondContact O-N 3.44Å; E624-G626 VanDerWaalsContact C-N 3.33Å; G626-F628 PolarHBondContact O-N 3.08Å; G626-W729 PolarHBondContact O-NE1 3.36Å
627D92.6Very high92.8Very high48 Ų4831.5 Ų31.526%0.25717%0.171SC..  trans-78.1105.7176.5-167.5-42.1000111.2Y587 A622 E629 E630 F631Y587-D627 HydrophobicContact CE1-CB 4.21Å; Y587-D627 VanDerWaalsContact OH-CB 3.27Å; Y587-D627 WeakPolarHBondContact OH-CB 3.38Å; A622-D627 PolarHBondContact O-N 2.94Å; D627-E629 WeakPolarHBondContact OD1-CA 3.48Å; D627-E629 PolarHBondContact OD1-N 3.32Å; D627-E630 HydrophobicContact CB-CB 4.42Å; D627-E630 PolarHBondContact OD1-N 3.26Å; D627-F631 VanDerWaalsContact O-CB 3.3Å; D627-F631 WeakPolarHBondContact O-CB 3.46Å; D627-F631 PolarHBondContact O-N 3.45Å
628F90.9Very high92.7Very high74 Ų7431.1 Ų31.133%0.32517%0.168SC..Hα-helixtrans-80.8-16.2179.666-94000113.8G626 H632 F664 W729G626-F628 PolarHBondContact O-N 3.08Å; F628-H632 VanDerWaalsContact O-CB 3.24Å; F628-H632 WeakPolarHBondContact O-CB 3.43Å; F628-H632 PolarHBondContact O-N 3.36Å; F628-F664 HydrophobicContact CB-CE1 4.38Å; F628-F664 HydrophobicContact CD1-CZ 4.17Å; F628-F664 AromaticContact CD2-CE1 3.72Å; F628-F664 HydrophobicContact CD2-CE1 3.72Å; F628-F664 AromaticContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CE1-CZ 4.39Å; F628-F664 HydrophobicContact CE2-CE1 4.18Å; F628-F664 HydrophobicContact CE2-CZ 4.21Å; F628-F664 AromaticContact CG-CE1 3.99Å; F628-F664 HydrophobicContact CG-CE1 3.99Å; F628-F664 AromaticContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CZ-CZ 4.42Å; F628-W729 HydrophobicContact CB-CD2 3.85Å; F628-W729 HydrophobicContact CB-CE3 3.94Å; F628-W729 HydrophobicContact CB-CH2 3.85Å; F628-W729 HydrophobicContact CB-CZ2 3.74Å; F628-W729 HydrophobicContact CB-CZ3 3.95Å
629E92.3Very high92.4Very high124 Ų12432.6 Ų32.658%0.57918%0.176SC*.Hα-helixtrans-84-45.1-179.7-62.4-161.3173.600110.7D627 H632 Q633D627-E629 WeakPolarHBondContact OD1-CA 3.48Å; D627-E629 PolarHBondContact OD1-N 3.32Å; E629-H632 PolarHBondContact O-N 3.07Å; E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.08Å
630E92.8Very high92.2Very high16 Ų1637.5 Ų37.58%0.07519%0.194CC..Hα-helixtrans-67-40.3172-70.8-5814600112.1K595 R598 H618 A622 D627 H632 Q633 C634K595-E630 WeakPolarHBondContact CE-OE1 3.37Å; K595-E630 WeakPolarHBondContact CE-OE2 3.26Å; K595-E630 IonicContact NZ-OE1 2.69Å; K595-E630 PolarHBondContact NZ-OE1 2.89Å; K595-E630 IonicContact NZ-OE2 3.19Å; R598-E630 IonicContact NH1-OE2 2.78Å; R598-E630 PolarHBondContact NH1-OE2 2.99Å; H618-E630 IonicContact CE1-OE2 3.88Å; A622-E630 HydrophobicContact CB-CB 4.21Å; D627-E630 HydrophobicContact CB-CB 4.42Å; D627-E630 PolarHBondContact OD1-N 3.26Å; E630-H632 VanDerWaalsContact C-N 3.3Å; E630-H632 PolarHBondContact O-N 3.27Å; E630-Q633 PolarHBondContact O-N 3.43Å; E630-Q633 PolarHBondContact OE1-NE2 3.29Å; E630-Q633 PolarHBondContact OE2-NE2 2.85Å; E630-C634 PolarHBondContact O-N 2.82Å; E630-C634 PolarHBondContact O-SG 2.8Å
631F94.3Very high92Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-57.5-43.5171.3174.3-101.5000111.8A619 A622 L623 D627 C634 Q635 F654 Y657 W729A619-F631 HydrophobicContact CB-CD2 3.98Å; A619-F631 HydrophobicContact CB-CE2 4.18Å; A622-F631 HydrophobicContact CB-CB 4.14Å; L623-F631 HydrophobicContact CD1-CD2 4.07Å; L623-F631 HydrophobicContact CD1-CE2 3.82Å; L623-F631 HydrophobicContact CD2-CD1 4.37Å; L623-F631 HydrophobicContact CD2-CD2 3.69Å; L623-F631 HydrophobicContact CD2-CE2 3.91Å; L623-F631 HydrophobicContact CD2-CG 3.95Å; L623-F631 HydrophobicContact CD2-CZ 4.35Å; L623-F631 HydrophobicContact CG-CD2 3.63Å; L623-F631 HydrophobicContact CG-CE2 3.9Å; L623-F631 HydrophobicContact CG-CG 4.32Å; D627-F631 VanDerWaalsContact O-CB 3.3Å; D627-F631 WeakPolarHBondContact O-CB 3.46Å; D627-F631 PolarHBondContact O-N 3.45Å; F631-C634 PolarHBondContact O-N 2.8Å; F631-Q635 HydrophobicContact CE1-CB 4.36Å; F631-Q635 HydrophobicContact CZ-CB 4.33Å; F631-Q635 HydrophobicContact CZ-CG 4.45Å; F631-Q635 WeakPolarHBondContact O-CB 3.49Å; F631-Q635 PolarHBondContact O-N 3.42Å; F631-F654 HydrophobicContact CE2-CD1 4.4Å; F631-F654 HydrophobicContact CE2-CE1 4.24Å; F631-Y657 HydrophobicContact CE2-CD2 4.37Å; F631-Y657 HydrophobicContact CZ-CD2 4.31Å; F631-Y657 HydrophobicContact CZ-CG 4.4Å; F631-W729 HydrophobicContact CB-CH2 3.9Å; F631-W729 HydrophobicContact CB-CZ2 4.49Å; F631-W729 AromaticContact CD1-CH2 3.58Å; F631-W729 HydrophobicContact CD1-CH2 3.58Å; F631-W729 AromaticContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CE1-CH2 4.35Å; F631-W729 HydrophobicContact CE1-CZ3 4.4Å; F631-W729 AromaticContact CG-CH2 3.8Å; F631-W729 HydrophobicContact CG-CH2 3.8Å
632H92.8Very high91.7Very high33 Ų3337.7 Ų37.715%0.15319%0.194CC..Hα-helixtrans-67.5-35179.1-179.3-133.7000112.8F628 E629 E630 S636 Y661F628-H632 VanDerWaalsContact O-CB 3.24Å; F628-H632 WeakPolarHBondContact O-CB 3.43Å; F628-H632 PolarHBondContact O-N 3.36Å; E629-H632 PolarHBondContact O-N 3.07Å; E630-H632 VanDerWaalsContact C-N 3.3Å; E630-H632 PolarHBondContact O-N 3.27Å; H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 3.19Å; H632-S636 PolarHBondContact O-OG 3.05Å; H632-Y661 HydrophobicContact CB-CE1 4.23Å; H632-Y661 HydrophobicContact CB-CE2 4.11Å; H632-Y661 AromaticContact CD2-CD1 4Å; H632-Y661 AromaticContact CD2-CE1 3.26Å; H632-Y661 WeakPolarHBondContact CD2-CE1 3.34Å; H632-Y661 AromaticContact CD2-CZ 3.66Å; H632-Y661 AromaticContact CG-CE1 3.68Å; H632-Y661 AromaticContact CG-CZ 3.53Å; H632-Y661 VanDerWaalsContact CG-OH 3.26Å; H632-Y661 PolarHBondContact ND1-OH 3.35Å; H632-Y661 AromaticContact NE2-CE1 3.6Å
633Q92.8Very high91.3Very high86 Ų8644.7 Ų44.740%0.40223%0.225SC..Hα-helixtrans-62.2-50.9170.9-72.1175.460.900111.6E629 E630 S636 Q637E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.08Å; E630-Q633 PolarHBondContact O-N 3.43Å; E630-Q633 PolarHBondContact OE1-NE2 3.29Å; E630-Q633 PolarHBondContact OE2-NE2 2.85Å; Q633-S636 PolarHBondContact O-N 3.37Å; Q633-Q637 PolarHBondContact O-N 2.98Å
634C93.7Very high90.9Very high0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-61.2-46.5178.4-68.10000111.7R598 Y615 A619 E630 F631 S636 Q637 L638R598-C634 PolarHBondContact NH1-SG 3.06Å; Y615-C634 HydrophobicContact CD1-CB 4.44Å; A619-C634 HydrophobicContact CB-CB 3.83Å; E630-C634 PolarHBondContact O-N 2.82Å; E630-C634 PolarHBondContact O-SG 2.8Å; F631-C634 PolarHBondContact O-N 2.8Å; C634-S636 VanDerWaalsContact C-N 3.26Å; C634-S636 PolarHBondContact O-N 2.92Å; C634-Q637 PolarHBondContact O-N 3.38Å; C634-L638 WeakPolarHBondContact O-CG 3.32Å; C634-L638 PolarHBondContact O-N 2.72Å
635Q92.4Very high90.4Very high5 Ų547.8 Ų47.82%0.02325%0.252CS..Hα-helixtrans-57.2-37.7176-175-143.6111.400112.5F631 L639 R658F631-Q635 HydrophobicContact CE1-CB 4.36Å; F631-Q635 HydrophobicContact CZ-CB 4.33Å; F631-Q635 HydrophobicContact CZ-CG 4.45Å; F631-Q635 WeakPolarHBondContact O-CB 3.49Å; F631-Q635 PolarHBondContact O-N 3.42Å; Q635-L639 VanDerWaalsContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CB 3.47Å; Q635-L639 PolarHBondContact O-N 3.06Å; Q635-R658 HydrophobicContact CG-CB 4.3Å; Q635-R658 HydrophobicContact CG-CG 4.49Å
636S91.6Very high89.6Confident40 Ų4047.7 Ų47.728%0.2824%0.244SC..Hα-helixtrans-67-36.7179.9-64.30000112.6H632 Q633 C634H632-S636 WeakPolarHBondContact O-CB 3.29Å; H632-S636 PolarHBondContact O-N 3.19Å; H632-S636 PolarHBondContact O-OG 3.05Å; Q633-S636 PolarHBondContact O-N 3.37Å; C634-S636 VanDerWaalsContact C-N 3.26Å; C634-S636 PolarHBondContact O-N 2.92Å
637Q91.8Very high88.8Confident45 Ų4546.4 Ų46.421%0.2123%0.231CC..Hα-helixtrans-79.8-38.3174.7-17463.816.800112.3E607 Y615 Q633 C634 L639 R640 L641E607-Q637 PolarHBondContact OE1-NE2 3.18Å; Y615-Q637 HydrophobicContact CD1-CB 3.96Å; Y615-Q637 HydrophobicContact CD1-CG 4.13Å; Y615-Q637 HydrophobicContact CD2-CG 4.2Å; Y615-Q637 HydrophobicContact CE1-CB 3.65Å; Y615-Q637 HydrophobicContact CE1-CG 3.65Å; Y615-Q637 HydrophobicContact CE2-CG 3.8Å; Y615-Q637 HydrophobicContact CG-CG 4.41Å; Q633-Q637 PolarHBondContact O-N 2.98Å; C634-Q637 PolarHBondContact O-N 3.38Å; Q637-L639 PolarHBondContact O-N 3.21Å; Q637-R640 WeakPolarHBondContact O-CA 3.49Å; Q637-R640 VanDerWaalsContact O-CB 3.29Å; Q637-R640 WeakPolarHBondContact O-CB 3.44Å; Q637-R640 PolarHBondContact O-N 2.69Å; Q637-L641 HydrophobicContact CG-CD1 4.3Å; Q637-L641 PolarHBondContact O-N 3.3Å
638L92.4Very high88.1Confident2 Ų248.9 Ų48.91%0.0125%0.248CC..Hα-helixtrans-56.3-41.1171.1-72.9169.5000111V612 E616 A619 C634 R640 L641 H642 F654V612-L638 HydrophobicContact CG1-CD2 3.95Å; E616-L638 HydrophobicContact CG-CD1 4.42Å; E616-L638 HydrophobicContact CG-CD2 4Å; A619-L638 HydrophobicContact CB-CD1 4.47Å; C634-L638 WeakPolarHBondContact O-CG 3.32Å; C634-L638 PolarHBondContact O-N 2.72Å; L638-R640 PolarHBondContact O-N 3.15Å; L638-L641 PolarHBondContact O-N 2.9Å; L638-H642 WeakPolarHBondContact O-CB 3.38Å; L638-H642 PolarHBondContact O-CD2 3.32Å; L638-H642 VanDerWaalsContact O-CD2 3.3Å; L638-H642 PolarHBondContact O-N 3.45Å; L638-H642 PolarHBondContact O-ND1 3.39Å; L638-F654 HydrophobicContact CD1-CD1 3.76Å; L638-F654 HydrophobicContact CD1-CD2 4.37Å; L638-F654 HydrophobicContact CD1-CE1 3.63Å; L638-F654 HydrophobicContact CD1-CE2 4.27Å; L638-F654 HydrophobicContact CD1-CG 4.14Å; L638-F654 HydrophobicContact CD1-CZ 3.92Å
639L89.4Confident87.6Confident32 Ų3250.4 Ų50.417%0.16827%0.268CS..Hα-helixtrans-61.4-21.1173.3177.962.2000114.1P300 Q635 Q637 K643 R658P300-L639 HydrophobicContact CG-CD2 4.45Å; Q635-L639 VanDerWaalsContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CB 3.47Å; Q635-L639 PolarHBondContact O-N 3.06Å; Q637-L639 PolarHBondContact O-N 3.21Å; L639-K643 WeakPolarHBondContact O-CD 3.22Å; L639-K643 WeakPolarHBondContact O-CE 3.01Å; L639-K643 VanDerWaalsContact O-CG 3.31Å; L639-K643 WeakPolarHBondContact O-CG 3.5Å; L639-R658 VanDerWaalsContact CD1-NH1 3.31Å
640R89.8Confident87.3Confident102 Ų10246.7 Ų46.739%0.38525%0.248SC..Hα-helixtrans-80.5-57.7172.2-173.2-174.2163.6-137.5-27.3110.1E607 Q637 L638 H642 K643 E644E607-R640 IonicContact OE1-CZ 2.99Å; E607-R640 VanDerWaalsContact OE1-CZ 3.23Å; E607-R640 IonicContact OE1-NH1 3.23Å; E607-R640 PolarHBondContact OE1-NH1 3.08Å; E607-R640 IonicContact OE1-NH2 3.86Å; E607-R640 PolarHBondContact OE1-NH2 3.32Å; E607-R640 IonicContact OE2-CZ 3.29Å; E607-R640 VanDerWaalsContact OE2-CZ 3.32Å; E607-R640 IonicContact OE2-NH1 3.85Å; E607-R640 PolarHBondContact OE2-NH1 3.17Å; E607-R640 IonicContact OE2-NH2 3.34Å; E607-R640 PolarHBondContact OE2-NH2 2.94Å; Q637-R640 WeakPolarHBondContact O-CA 3.49Å; Q637-R640 VanDerWaalsContact O-CB 3.29Å; Q637-R640 WeakPolarHBondContact O-CB 3.44Å; Q637-R640 PolarHBondContact O-N 2.69Å; L638-R640 PolarHBondContact O-N 3.15Å; R640-H642 PolarHBondContact O-N 3.08Å; R640-K643 WeakPolarHBondContact O-CA 3.24Å; R640-K643 WeakPolarHBondContact O-CB 3.39Å; R640-K643 PolarHBondContact O-N 2.85Å; R640-E644 WeakPolarHBondContact CG-OE1 3.26Å; R640-E644 IonicContact CZ-OE1 2.76Å; R640-E644 IonicContact NE-OE1 3.15Å; R640-E644 PolarHBondContact NE-OE1 2.84Å; R640-E644 IonicContact NE-OE2 3.57Å; R640-E644 IonicContact NH2-OE1 3.31Å; R640-E644 PolarHBondContact NH2-OE1 3.17Å; R640-E644 IonicContact NH2-OE2 2.79Å; R640-E644 PolarHBondContact O-N 2.8Å
641L89.1Confident87.1Confident1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-54.9-39.3180-60.2170.1000112.2E607 V612 Y615 Q637 L638 K643 E644 G645 L646E607-L641 HydrophobicContact CB-CD2 3.84Å; E607-L641 HydrophobicContact CG-CD2 4.22Å; V612-L641 HydrophobicContact CG2-CB 3.91Å; V612-L641 HydrophobicContact CG2-CD1 3.82Å; V612-L641 HydrophobicContact CG2-CG 4.4Å; Y615-L641 HydrophobicContact CD2-CD1 3.94Å; Y615-L641 HydrophobicContact CE2-CD1 4.46Å; Q637-L641 HydrophobicContact CG-CD1 4.3Å; Q637-L641 PolarHBondContact O-N 3.3Å; L638-L641 PolarHBondContact O-N 2.9Å; L641-K643 VanDerWaalsContact C-N 3.25Å; L641-K643 PolarHBondContact O-N 2.55Å; L641-E644 WeakPolarHBondContact CA-OE2 3.4Å; L641-E644 PolarHBondContact N-OE2 3.4Å; L641-E644 PolarHBondContact O-N 3.12Å; L641-E644 VanDerWaalsContact O-N 3.15Å; L641-G645 PolarHBondContact O-N 3.13Å; L641-G645 VanDerWaalsContact O-N 3.08Å; L641-L646 HydrophobicContact CD2-CD1 4.35Å; L641-L646 PolarHBondContact O-N 3.5Å
642H87.9Confident86.8Confident28 Ų2850.1 Ų50.113%0.1327%0.267CS..Hα-helixtrans-68.3-14.6176.1-68.2179000114.9L638 R640 L646 L651L638-H642 WeakPolarHBondContact O-CB 3.38Å; L638-H642 PolarHBondContact O-CD2 3.32Å; L638-H642 VanDerWaalsContact O-CD2 3.3Å; L638-H642 PolarHBondContact O-N 3.45Å; L638-H642 PolarHBondContact O-ND1 3.39Å; R640-H642 PolarHBondContact O-N 3.08Å; H642-L646 PolarHBondContact CD2-O 3.06Å; H642-L646 VanDerWaalsContact CD2-O 3.3Å; H642-L651 HydrophobicContact CB-CD1 3.85Å
643K84.6Confident86.8Confident148 Ų14849.4 Ų49.464%0.64326%0.263SS*.Hα-helixtrans-91-29.4170-66.5166.1-175.4170.80112.1L639 R640 L641L639-K643 WeakPolarHBondContact O-CD 3.22Å; L639-K643 WeakPolarHBondContact O-CE 3.01Å; L639-K643 VanDerWaalsContact O-CG 3.31Å; L639-K643 WeakPolarHBondContact O-CG 3.5Å; R640-K643 WeakPolarHBondContact O-CA 3.24Å; R640-K643 WeakPolarHBondContact O-CB 3.39Å; R640-K643 PolarHBondContact O-N 2.85Å; L641-K643 VanDerWaalsContact C-N 3.25Å; L641-K643 PolarHBondContact O-N 2.55Å
644E85Confident86.7Confident95 Ų9545.7 Ų45.744%0.44425%0.246SC..Hα-helixtrans-72.9-17.7174.4-73143.2174.600111.3R640 L641R640-E644 WeakPolarHBondContact CG-OE1 3.26Å; R640-E644 IonicContact CZ-OE1 2.76Å; R640-E644 IonicContact NE-OE1 3.15Å; R640-E644 PolarHBondContact NE-OE1 2.84Å; R640-E644 IonicContact NE-OE2 3.57Å; R640-E644 IonicContact NH2-OE1 3.31Å; R640-E644 PolarHBondContact NH2-OE1 3.17Å; R640-E644 IonicContact NH2-OE2 2.79Å; R640-E644 PolarHBondContact O-N 2.8Å; L641-E644 WeakPolarHBondContact CA-OE2 3.4Å; L641-E644 PolarHBondContact N-OE2 3.4Å; L641-E644 PolarHBondContact O-N 3.12Å; L641-E644 VanDerWaalsContact O-N 3.15Å
645G80.9Confident86.6Confident47 Ų4747.2 Ų47.249%0.48526%0.255SS..THydrogen-bonded Turntrans121.7-2.3165.100000114.6L641 V648L641-G645 PolarHBondContact O-N 3.13Å; L641-G645 VanDerWaalsContact O-N 3.08Å; G645-V648 WeakPolarHBondContact O-CG2 3.48Å
646L74.8Confident86.6Confident43 Ų4347 Ų4723%0.22526%0.255CS..  trans-88.8164-172.3-57.4156.2000111.3E607 V612 L641 H642 V648E607-L646 WeakPolarHBondContact O-CD1 3.31Å; V612-L646 HydrophobicContact CG2-CB 3.78Å; L641-L646 HydrophobicContact CD2-CD1 4.35Å; L641-L646 PolarHBondContact O-N 3.5Å; H642-L646 PolarHBondContact CD2-O 3.06Å; H642-L646 VanDerWaalsContact CD2-O 3.3Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.31Å
647G73.5Confident86.7Confident5 Ų545.1 Ų45.15%0.05224%0.241CC..  trans67.623.7173.500000116.1D609 S649 R650 L651D609-G647 PolarHBondContact OD1-N 3.19Å; G647-S649 PolarHBondContact O-N 3.1Å; G647-R650 PolarHBondContact O-N 2.93Å; G647-L651 PolarHBondContact O-N 3.37Å
648V77.2Confident86.7Confident101 Ų10145.2 Ų45.261%0.61224%0.24SC*.THydrogen-bonded Turntrans-56.8-28.3-173.8-173.40000113.2G645 L646 L651G645-V648 WeakPolarHBondContact O-CG2 3.48Å; L646-V648 VanDerWaalsContact C-N 3.32Å; L646-V648 PolarHBondContact O-N 3.31Å; V648-L651 WeakPolarHBondContact O-CB 3.49Å
649S80.6Confident86.8Confident106 Ų10645.2 Ų45.274%0.74124%0.24SC*.THydrogen-bonded Turntrans-60.2-48.6-178.253.40000113.9G647G647-S649 PolarHBondContact O-N 3.1Å
650R85.8Confident86.9Confident46 Ų4643.7 Ų43.717%0.17423%0.232CC..THydrogen-bonded Turntrans-107.42.7-178.2-64.117869.1-160.95.3113.9E616 D620 G647 L652 E653 F654E616-R650 WeakPolarHBondContact OE1-CB 3.32Å; E616-R650 VanDerWaalsContact OE2-CD 3.26Å; E616-R650 WeakPolarHBondContact OE2-CD 3.31Å; E616-R650 IonicContact OE2-CZ 3.3Å; E616-R650 IonicContact OE2-NE 3.74Å; E616-R650 IonicContact OE2-NH1 2.7Å; E616-R650 PolarHBondContact OE2-NH1 3.13Å; D620-R650 VanDerWaalsContact CG-NH2 3.34Å; D620-R650 IonicContact OD1-CZ 2.71Å; D620-R650 IonicContact OD1-NH1 3.76Å; D620-R650 IonicContact OD1-NH2 2.95Å; D620-R650 PolarHBondContact OD1-NH2 3.31Å; D620-R650 IonicContact OD2-CZ 3.87Å; D620-R650 IonicContact OD2-NH1 3.64Å; D620-R650 PolarHBondContact OD2-NH1 3.06Å; D620-R650 IonicContact OD2-NH2 3.51Å; D620-R650 PolarHBondContact OD2-NH2 2.96Å; G647-R650 PolarHBondContact O-N 2.93Å; R650-L652 PolarHBondContact O-N 3.3Å; R650-E653 HydrophobicContact CB-CB 4.42Å; R650-E653 IonicContact CZ-OE1 2.76Å; R650-E653 IonicContact CZ-OE2 2.9Å; R650-E653 IonicContact NE-OE1 3.66Å; R650-E653 IonicContact NE-OE2 3.74Å; R650-E653 PolarHBondContact NE-OE2 3.07Å; R650-E653 IonicContact NH2-OE1 2.69Å; R650-E653 PolarHBondContact NH2-OE1 2.93Å; R650-E653 IonicContact NH2-OE2 2.83Å; R650-E653 PolarHBondContact NH2-OE2 3.01Å; R650-E653 WeakPolarHBondContact O-CA 3.41Å; R650-E653 WeakPolarHBondContact O-CB 3.46Å; R650-E653 PolarHBondContact O-N 2.78Å; R650-F654 HydrophobicContact CB-CD2 3.96Å; R650-F654 HydrophobicContact CB-CE2 3.99Å; R650-F654 WeakPolarHBondContact O-CD2 3.49Å; R650-F654 PolarHBondContact O-N 2.93Å
651L88.3Confident87Confident49 Ų4939.4 Ų39.426%0.25722%0.216SC..Hα-helixtrans-38.4-45.7169.3171.757000113.6H642 G647 V648 T655H642-L651 HydrophobicContact CB-CD1 3.85Å; G647-L651 PolarHBondContact O-N 3.37Å; V648-L651 WeakPolarHBondContact O-CB 3.49Å; L651-T655 VanDerWaalsContact O-CB 3.28Å; L651-T655 WeakPolarHBondContact O-CB 3.49Å; L651-T655 PolarHBondContact O-N 3.06Å; L651-T655 PolarHBondContact O-OG1 3.24Å
652L89.3Confident87.2Confident38 Ų3839.9 Ų39.920%0.19922%0.217CC..Hα-helixtrans-77.4-28.9-175.2-58.6176.1000112.7R650 A656 H682 N685 I688R650-L652 PolarHBondContact O-N 3.3Å; L652-A656 PolarHBondContact O-N 3.42Å; L652-H682 HydrophobicContact CD2-CB 4.1Å; L652-N685 WeakPolarHBondContact CD1-ND2 3.44Å; L652-I688 HydrophobicContact CB-CD1 3.83Å; L652-I688 HydrophobicContact CD2-CD1 3.92Å; L652-I688 HydrophobicContact CG-CD1 4.43Å; L652-I688 WeakPolarHBondContact O-CD1 3.18Å; L652-I688 VanDerWaalsContact O-CG1 3.31Å; L652-I688 WeakPolarHBondContact O-CG1 3.17Å
653E91.5Very high87.4Confident19 Ų1938.5 Ų38.59%0.08921%0.211CC..Hα-helixtrans-69.4-53171.1-178-170.5162.400110.6R650 T655 A656 Y657 L721R650-E653 HydrophobicContact CB-CB 4.42Å; R650-E653 IonicContact CZ-OE1 2.76Å; R650-E653 IonicContact CZ-OE2 2.9Å; R650-E653 IonicContact NE-OE1 3.66Å; R650-E653 IonicContact NE-OE2 3.74Å; R650-E653 PolarHBondContact NE-OE2 3.07Å; R650-E653 IonicContact NH2-OE1 2.69Å; R650-E653 PolarHBondContact NH2-OE1 2.93Å; R650-E653 IonicContact NH2-OE2 2.83Å; R650-E653 PolarHBondContact NH2-OE2 3.01Å; R650-E653 WeakPolarHBondContact O-CA 3.41Å; R650-E653 WeakPolarHBondContact O-CB 3.46Å; R650-E653 PolarHBondContact O-N 2.78Å; E653-T655 VanDerWaalsContact C-N 3.25Å; E653-T655 PolarHBondContact O-N 2.69Å; E653-A656 WeakPolarHBondContact O-CA 3.44Å; E653-A656 WeakPolarHBondContact O-CB 3.36Å; E653-A656 PolarHBondContact O-N 2.64Å; E653-Y657 HydrophobicContact CG-CD2 4.26Å; E653-Y657 HydrophobicContact CG-CE1 4.2Å; E653-Y657 HydrophobicContact CG-CE2 3.5Å; E653-Y657 VanDerWaalsContact CG-CZ 3.45Å; E653-Y657 WeakPolarHBondContact CG-OH 3.19Å; E653-Y657 PolarHBondContact O-N 2.99Å; E653-Y657 WeakPolarHBondContact OE1-CE2 3.37Å; E653-Y657 PolarHBondContact OE1-OH 2.73Å; E653-L721 VanDerWaalsContact CD-CD1 3.49Å; E653-L721 HydrophobicContact CG-CD1 3.89Å
654F91.7Very high87.7Confident7 Ų733.4 Ų33.43%0.03119%0.189CC..Hα-helixtrans-63.9-30.1177.3-76.2-77.3000112.8E616 A619 F631 L638 R650 Y657 R658E616-F654 HydrophobicContact CB-CE2 4.31Å; E616-F654 HydrophobicContact CB-CZ 4.16Å; E616-F654 HydrophobicContact CG-CE2 3.64Å; E616-F654 HydrophobicContact CG-CZ 3.93Å; A619-F654 HydrophobicContact CB-CE1 3.78Å; A619-F654 HydrophobicContact CB-CZ 4.25Å; F631-F654 HydrophobicContact CE2-CD1 4.4Å; F631-F654 HydrophobicContact CE2-CE1 4.24Å; L638-F654 HydrophobicContact CD1-CD1 3.76Å; L638-F654 HydrophobicContact CD1-CD2 4.37Å; L638-F654 HydrophobicContact CD1-CE1 3.63Å; L638-F654 HydrophobicContact CD1-CE2 4.27Å; L638-F654 HydrophobicContact CD1-CG 4.14Å; L638-F654 HydrophobicContact CD1-CZ 3.92Å; R650-F654 HydrophobicContact CB-CD2 3.96Å; R650-F654 HydrophobicContact CB-CE2 3.99Å; R650-F654 WeakPolarHBondContact O-CD2 3.49Å; R650-F654 PolarHBondContact O-N 2.93Å; F654-Y657 HydrophobicContact CD1-CD2 4.07Å; F654-Y657 HydrophobicContact CE1-CD2 4.28Å; F654-Y657 PolarHBondContact O-N 2.57Å; F654-R658 VanDerWaalsContact O-CB 3.24Å; F654-R658 WeakPolarHBondContact O-CB 3.48Å; F654-R658 PolarHBondContact O-N 2.86Å
655T91.5Very high88Confident33 Ų3329.8 Ų29.820%0.20217%0.173CC..Hα-helixtrans-64.4-38.4170.4-62.50000111.9L651 E653 L659 I674 L678L651-T655 VanDerWaalsContact O-CB 3.28Å; L651-T655 WeakPolarHBondContact O-CB 3.49Å; L651-T655 PolarHBondContact O-N 3.06Å; L651-T655 PolarHBondContact O-OG1 3.24Å; E653-T655 VanDerWaalsContact C-N 3.25Å; E653-T655 PolarHBondContact O-N 2.69Å; T655-L659 PolarHBondContact O-N 2.81Å; T655-I674 HydrophobicContact CG2-CG2 4.08Å; T655-L678 HydrophobicContact CG2-CD2 4.03Å
656A92.9Very high88.4Confident1 Ų129.7 Ų29.71%0.00816%0.162CC..Hα-helixtrans-67.7-46.8173.800000111.8L652 E653 R658 L659 L660 C687 I688 A691L652-A656 PolarHBondContact O-N 3.42Å; E653-A656 WeakPolarHBondContact O-CA 3.44Å; E653-A656 WeakPolarHBondContact O-CB 3.36Å; E653-A656 PolarHBondContact O-N 2.64Å; A656-R658 VanDerWaalsContact C-N 3.28Å; A656-R658 PolarHBondContact O-N 3.38Å; A656-L659 WeakPolarHBondContact O-CB 3.45Å; A656-L659 PolarHBondContact O-N 3.12Å; A656-L659 VanDerWaalsContact O-N 3.16Å; A656-L660 WeakPolarHBondContact O-CG 3.35Å; A656-L660 PolarHBondContact O-N 2.94Å; A656-C687 HydrophobicContact CB-CB 3.73Å; A656-C687 WeakPolarHBondContact CB-O 3.48Å; A656-I688 HydrophobicContact CB-CG1 4.04Å; A656-A691 HydrophobicContact CB-CB 4.13Å
657Y93.1Very high89.1Confident0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-60.6-37.4175.9-59.9-25.6000112.4L623 F631 E653 F654 L660 Y661 L721 R722 C723 V726L623-Y657 HydrophobicContact CD1-CD2 3.97Å; L623-Y657 HydrophobicContact CD1-CE2 3.85Å; F631-Y657 HydrophobicContact CE2-CD2 4.37Å; F631-Y657 HydrophobicContact CZ-CD2 4.31Å; F631-Y657 HydrophobicContact CZ-CG 4.4Å; E653-Y657 HydrophobicContact CG-CD2 4.26Å; E653-Y657 HydrophobicContact CG-CE1 4.2Å; E653-Y657 HydrophobicContact CG-CE2 3.5Å; E653-Y657 VanDerWaalsContact CG-CZ 3.45Å; E653-Y657 WeakPolarHBondContact CG-OH 3.19Å; E653-Y657 PolarHBondContact O-N 2.99Å; E653-Y657 WeakPolarHBondContact OE1-CE2 3.37Å; E653-Y657 PolarHBondContact OE1-OH 2.73Å; F654-Y657 HydrophobicContact CD1-CD2 4.07Å; F654-Y657 HydrophobicContact CE1-CD2 4.28Å; F654-Y657 PolarHBondContact O-N 2.57Å; Y657-L660 PolarHBondContact O-N 3.32Å; Y657-Y661 WeakPolarHBondContact O-CB 3.47Å; Y657-Y661 PolarHBondContact O-N 3.06Å; Y657-L721 WeakPolarHBondContact OH-CB 3.41Å; Y657-R722 HydrophobicContact CE1-CB 4.33Å; Y657-R722 HydrophobicContact CE2-CB 4.48Å; Y657-R722 WeakPolarHBondContact OH-CB 3.11Å; Y657-R722 PolarHBondContact OH-N 2.81Å; Y657-C723 HydrophobicContact CE1-CB 4.39Å; Y657-V726 HydrophobicContact CD1-CG2 3.85Å; Y657-V726 HydrophobicContact CG-CG2 4.06Å
658R92.2Very high89.9Confident47 Ų4731.7 Ų31.718%0.17717%0.17CC..Hα-helixtrans-66.5-39.1174.7-176.9175.1173.9-139.9-2.9112.8Q635 L639 F654 A656 L660 Y661 Y662 I674Q635-R658 HydrophobicContact CG-CB 4.3Å; Q635-R658 HydrophobicContact CG-CG 4.49Å; L639-R658 VanDerWaalsContact CD1-NH1 3.31Å; F654-R658 VanDerWaalsContact O-CB 3.24Å; F654-R658 WeakPolarHBondContact O-CB 3.48Å; F654-R658 PolarHBondContact O-N 2.86Å; A656-R658 VanDerWaalsContact C-N 3.28Å; A656-R658 PolarHBondContact O-N 3.38Å; R658-L660 VanDerWaalsContact C-N 3.34Å; R658-Y661 PolarHBondContact O-N 3.33Å; R658-Y662 HydrophobicContact CG-CD2 4.34Å; R658-Y662 HydrophobicContact CG-CE2 3.9Å; R658-Y662 PolarHBondContact NE-OH 2.95Å; R658-Y662 PolarHBondContact NH2-OH 3.16Å; R658-Y662 PolarHBondContact O-N 2.89Å; R658-I674 HydrophobicContact CB-CD1 4.27Å; R658-I674 HydrophobicContact CG-CD1 3.75Å
659L92.8Very high90.6Very high2 Ų232 Ų321%0.0117%0.168CC..Hα-helixtrans-62.1-42.4172.8178.759.8000111.4T655 A656 Y662 I663 I671 I674 A691 L692T655-L659 PolarHBondContact O-N 2.81Å; A656-L659 WeakPolarHBondContact O-CB 3.45Å; A656-L659 PolarHBondContact O-N 3.12Å; A656-L659 VanDerWaalsContact O-N 3.16Å; L659-Y662 PolarHBondContact O-N 3.46Å; L659-I663 PolarHBondContact O-N 2.98Å; L659-I671 HydrophobicContact CD1-CB 4.35Å; L659-I671 HydrophobicContact CD1-CG1 4.27Å; L659-I671 HydrophobicContact CD1-CG2 3.98Å; L659-I674 HydrophobicContact CB-CD1 4.35Å; L659-I674 HydrophobicContact CB-CG2 4.4Å; L659-I674 HydrophobicContact CD1-CG2 4.44Å; L659-A691 HydrophobicContact CD2-CB 3.95Å; L659-A691 HydrophobicContact CG-CB 4.45Å; L659-L692 HydrophobicContact CD2-CD2 4.09Å
660L92.6Very high91Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-65.9-39.8174.6-64.8173.8000111.9A656 Y657 R658 Y662 I663 F664 A691 L694 C723 V726 V727A656-L660 WeakPolarHBondContact O-CG 3.35Å; A656-L660 PolarHBondContact O-N 2.94Å; Y657-L660 PolarHBondContact O-N 3.32Å; R658-L660 VanDerWaalsContact C-N 3.34Å; L660-Y662 VanDerWaalsContact C-N 3.32Å; L660-Y662 PolarHBondContact O-N 2.8Å; L660-I663 HydrophobicContact CD2-CD1 4.45Å; L660-I663 WeakPolarHBondContact O-CA 3.44Å; L660-I663 WeakPolarHBondContact O-CB 3.47Å; L660-I663 PolarHBondContact O-N 3.43Å; L660-F664 PolarHBondContact O-N 2.97Å; L660-A691 HydrophobicContact CD1-CB 4.46Å; L660-A691 HydrophobicContact CD2-CB 3.96Å; L660-A691 HydrophobicContact CG-CB 3.97Å; L660-L694 HydrophobicContact CD2-CB 4.47Å; L660-L694 HydrophobicContact CD2-CD2 3.48Å; L660-L694 VanDerWaalsContact CD2-CD2 3.48Å; L660-C723 HydrophobicContact CD1-CB 4.07Å; L660-V726 HydrophobicContact CB-CB 4.24Å; L660-V726 HydrophobicContact CB-CG1 3.49Å; L660-V726 VanDerWaalsContact CB-CG1 3.49Å; L660-V726 HydrophobicContact CD1-CB 4.28Å; L660-V726 HydrophobicContact CD1-CG1 4.42Å; L660-V727 HydrophobicContact CD1-CG2 4.1Å; L660-V727 HydrophobicContact CD2-CG2 3.94Å; L660-V727 HydrophobicContact CG-CG2 4.48Å
661Y92.6Very high91.3Very high12 Ų1225.2 Ų25.25%0.04713%0.129CC..Hα-helixtrans-63.8-33.9174.9-178.6-100.5000112.7H632 Y657 R658 I663 F664 T665 W729H632-Y661 HydrophobicContact CB-CE1 4.23Å; H632-Y661 HydrophobicContact CB-CE2 4.11Å; H632-Y661 AromaticContact CD2-CD1 4Å; H632-Y661 AromaticContact CD2-CE1 3.26Å; H632-Y661 WeakPolarHBondContact CD2-CE1 3.34Å; H632-Y661 AromaticContact CD2-CZ 3.66Å; H632-Y661 AromaticContact CG-CE1 3.68Å; H632-Y661 AromaticContact CG-CZ 3.53Å; H632-Y661 VanDerWaalsContact CG-OH 3.26Å; H632-Y661 PolarHBondContact ND1-OH 3.35Å; H632-Y661 AromaticContact NE2-CE1 3.6Å; Y657-Y661 WeakPolarHBondContact O-CB 3.47Å; Y657-Y661 PolarHBondContact O-N 3.06Å; R658-Y661 PolarHBondContact O-N 3.33Å; Y661-I663 VanDerWaalsContact C-N 3.31Å; Y661-F664 AromaticContact CD2-CD1 3.95Å; Y661-F664 HydrophobicContact CD2-CD1 3.95Å; Y661-F664 AromaticContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CE1 4.13Å; Y661-F664 CarbonylContact O-C 3.54Å; Y661-F664 WeakPolarHBondContact O-CA 3.38Å; Y661-F664 WeakPolarHBondContact O-CB 3.35Å; Y661-F664 PolarHBondContact O-N 2.99Å; Y661-T665 HydrophobicContact CD1-CG2 4.21Å; Y661-T665 HydrophobicContact CE1-CG2 3.6Å; Y661-T665 HydrophobicContact CE2-CG2 4.06Å; Y661-T665 PolarHBondContact O-N 2.76Å; Y661-T665 PolarHBondContact O-OG1 2.77Å; Y661-W729 HydrophobicContact CD2-CZ3 4.08Å
662Y92.7Very high91.5Very high10 Ų1026.5 Ų26.54%0.03914%0.136CC..Hα-helixtrans-74.8-18.5172.4-64.3-24.9000113.8R658 L659 L660 L666 D667 I674R658-Y662 HydrophobicContact CG-CD2 4.34Å; R658-Y662 HydrophobicContact CG-CE2 3.9Å; R658-Y662 PolarHBondContact NE-OH 2.95Å; R658-Y662 PolarHBondContact NH2-OH 3.16Å; R658-Y662 PolarHBondContact O-N 2.89Å; L659-Y662 PolarHBondContact O-N 3.46Å; L660-Y662 VanDerWaalsContact C-N 3.32Å; L660-Y662 PolarHBondContact O-N 2.8Å; Y662-L666 CarbonylContact O-C 3.39Å; Y662-L666 WeakPolarHBondContact O-CA 3.46Å; Y662-L666 PolarHBondContact O-N 3.25Å; Y662-D667 HydrophobicContact CD1-CB 4.43Å; Y662-D667 PolarHBondContact O-N 2.69Å; Y662-I674 HydrophobicContact CD2-CD1 3.64Å; Y662-I674 HydrophobicContact CE2-CD1 3.7Å; Y662-I674 HydrophobicContact CE2-CG1 4.4Å
663I92.3Very high91.5Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-75.9-36.8164.3-59.8166.9000110.2L659 L660 Y661 I671 R695 W698 F730 R733L659-I663 PolarHBondContact O-N 2.98Å; L660-I663 HydrophobicContact CD2-CD1 4.45Å; L660-I663 WeakPolarHBondContact O-CA 3.44Å; L660-I663 WeakPolarHBondContact O-CB 3.47Å; L660-I663 PolarHBondContact O-N 3.43Å; Y661-I663 VanDerWaalsContact C-N 3.31Å; I663-I671 HydrophobicContact CG1-CD1 3.75Å; I663-I671 HydrophobicContact CG1-CG1 4.45Å; I663-R695 HydrophobicContact CD1-CB 3.96Å; I663-R695 HydrophobicContact CD1-CG 4.29Å; I663-W698 HydrophobicContact CG1-CE3 4.36Å; I663-W698 HydrophobicContact CG2-CD2 3.66Å; I663-W698 HydrophobicContact CG2-CE3 4.07Å; I663-W698 HydrophobicContact CG2-CG 3.93Å; I663-W698 HydrophobicContact CG2-CZ2 4.27Å; I663-F730 HydrophobicContact CB-CE2 4.26Å; I663-F730 HydrophobicContact CB-CZ 3.97Å; I663-F730 HydrophobicContact CG2-CD2 4.15Å; I663-F730 HydrophobicContact CG2-CE2 3.44Å; I663-F730 VanDerWaalsContact CG2-CE2 3.44Å; I663-F730 HydrophobicContact CG2-CZ 3.67Å; I663-R733 PolarHBondContact O-NH2 3.43Å
664F91.4Very high91.5Very high40 Ų4027.7 Ų27.718%0.17515%0.145CC..Hα-helixtrans-59.9-51.3170.6171.1-102.7000111.8F628 L660 Y661 L666 W729 F730 R733F628-F664 HydrophobicContact CB-CE1 4.38Å; F628-F664 HydrophobicContact CD1-CZ 4.17Å; F628-F664 AromaticContact CD2-CE1 3.72Å; F628-F664 HydrophobicContact CD2-CE1 3.72Å; F628-F664 AromaticContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CD2-CZ 3.98Å; F628-F664 HydrophobicContact CE1-CZ 4.39Å; F628-F664 HydrophobicContact CE2-CE1 4.18Å; F628-F664 HydrophobicContact CE2-CZ 4.21Å; F628-F664 AromaticContact CG-CE1 3.99Å; F628-F664 HydrophobicContact CG-CE1 3.99Å; F628-F664 AromaticContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CG-CZ 3.97Å; F628-F664 HydrophobicContact CZ-CZ 4.42Å; L660-F664 PolarHBondContact O-N 2.97Å; Y661-F664 AromaticContact CD2-CD1 3.95Å; Y661-F664 HydrophobicContact CD2-CD1 3.95Å; Y661-F664 AromaticContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CD1 3.76Å; Y661-F664 HydrophobicContact CE2-CE1 4.13Å; Y661-F664 CarbonylContact O-C 3.54Å; Y661-F664 WeakPolarHBondContact O-CA 3.38Å; Y661-F664 WeakPolarHBondContact O-CB 3.35Å; Y661-F664 PolarHBondContact O-N 2.99Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.06Å; F664-W729 HydrophobicContact CD2-CB 3.57Å; F664-W729 HydrophobicContact CE2-CB 3.66Å; F664-W729 HydrophobicContact CG-CB 4.4Å; F664-F730 HydrophobicContact CB-CD1 3.65Å; F664-F730 HydrophobicContact CB-CE1 4.08Å; F664-F730 HydrophobicContact CB-CG 4.43Å; F664-F730 HydrophobicContact CD2-CB 4.03Å; F664-F730 HydrophobicContact CD2-CD1 4.11Å; F664-F730 HydrophobicContact CG-CD1 4.38Å; F664-R733 PolarHBondContact O-NH1 3.29Å
665T90.2Very high91.4Very high19 Ų1930.5 Ų30.512%0.11716%0.159CC..THydrogen-bonded Turntrans-81.3-4.7-179.461.80000115.2V297 Y661 D667V297-T665 HydrophobicContact CG2-CG2 4.02Å; Y661-T665 HydrophobicContact CD1-CG2 4.21Å; Y661-T665 HydrophobicContact CE1-CG2 3.6Å; Y661-T665 HydrophobicContact CE2-CG2 4.06Å; Y661-T665 PolarHBondContact O-N 2.76Å; Y661-T665 PolarHBondContact O-OG1 2.77Å; T665-D667 VanDerWaalsContact C-N 3.25Å; T665-D667 PolarHBondContact O-N 3.37Å
666L89.3Confident91.3Very high46 Ų4633.2 Ų33.224%0.24119%0.186CC..THydrogen-bonded Turntrans62.421.5-175.6-56.9171.2000114.8Y662 F664 I668 W698Y662-L666 CarbonylContact O-C 3.39Å; Y662-L666 WeakPolarHBondContact O-CA 3.46Å; Y662-L666 PolarHBondContact O-N 3.25Å; F664-L666 VanDerWaalsContact C-N 3.33Å; F664-L666 PolarHBondContact O-N 3.06Å; L666-I668 VanDerWaalsContact C-N 3.35Å; L666-I668 PolarHBondContact O-N 3.2Å; L666-W698 HydrophobicContact CD2-CH2 4.1Å; L666-W698 HydrophobicContact CD2-CZ2 3.53Å
667D90.2Very high91Very high15 Ų1535.8 Ų35.88%0.0821%0.212CC..  trans-76.681.8176.6-168.61.6000112R299 Y662 T665 L669 G670 I671R299-D667 IonicContact CZ-OD1 2.64Å; R299-D667 IonicContact CZ-OD2 2.64Å; R299-D667 VanDerWaalsContact CZ-OD2 3.3Å; R299-D667 IonicContact NE-OD1 2.74Å; R299-D667 IonicContact NE-OD2 3.7Å; R299-D667 PolarHBondContact NE-OD2 2.93Å; R299-D667 IonicContact NH2-OD1 3.68Å; R299-D667 PolarHBondContact NH2-OD1 3.44Å; R299-D667 IonicContact NH2-OD2 2.73Å; R299-D667 PolarHBondContact NH2-OD2 3.02Å; Y662-D667 HydrophobicContact CD1-CB 4.43Å; Y662-D667 PolarHBondContact O-N 2.69Å; T665-D667 VanDerWaalsContact C-N 3.25Å; T665-D667 PolarHBondContact O-N 3.37Å; D667-L669 PolarHBondContact O-N 3.05Å; D667-L669 VanDerWaalsContact O-N 3.17Å; D667-L669 WeakPolarHBondContact OD1-CB 3.45Å; D667-L669 PolarHBondContact OD1-N 2.97Å; D667-L669 VanDerWaalsContact OD1-N 3.17Å; D667-G670 PolarHBondContact O-N 3.27Å; D667-G670 VanDerWaalsContact O-N 3.08Å; D667-G670 PolarHBondContact OD1-N 3.46Å; D667-G670 VanDerWaalsContact OD1-N 3.15Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 2.95Å
668I90Very high90.7Very high74 Ų7436.5 Ų36.538%0.37922%0.215SC..Hα-helixtrans-54.3-33.5176.5-45.1176.9000111.6I290 L666 N672I290-I668 HydrophobicContact CD1-CD1 3.72Å; I290-I668 HydrophobicContact CD1-CG1 4.43Å; L666-I668 VanDerWaalsContact C-N 3.35Å; L666-I668 PolarHBondContact O-N 3.2Å; I668-N672 WeakPolarHBondContact O-CB 3.28Å; I668-N672 VanDerWaalsContact O-CG 3.27Å; I668-N672 PolarHBondContact O-N 3Å; I668-N672 PolarHBondContact O-ND2 3.28Å
669L91Very high90.3Very high108 Ų10842.6 Ų42.657%0.56524%0.238SC*.Hα-helixtrans-68.1-49.6177.7-173.667.6000109.9D667 I671 N672 T673D667-L669 PolarHBondContact O-N 3.05Å; D667-L669 VanDerWaalsContact O-N 3.17Å; D667-L669 WeakPolarHBondContact OD1-CB 3.45Å; D667-L669 PolarHBondContact OD1-N 2.97Å; D667-L669 VanDerWaalsContact OD1-N 3.17Å; L669-I671 VanDerWaalsContact C-N 3.34Å; L669-I671 PolarHBondContact O-N 3.25Å; L669-N672 PolarHBondContact O-N 2.91Å; L669-N672 VanDerWaalsContact O-N 3.08Å; L669-T673 PolarHBondContact O-N 3.21Å; L669-T673 PolarHBondContact O-OG1 3.33Å; L669-T673 VanDerWaalsContact O-OG1 3.06Å
670G89.4Confident89.8Confident7 Ų747.3 Ų47.37%0.07227%0.269CS..Hα-helixtrans-57.2-42.5174.400000113.2D667 N672 T673 I674D667-G670 PolarHBondContact O-N 3.27Å; D667-G670 VanDerWaalsContact O-N 3.08Å; D667-G670 PolarHBondContact OD1-N 3.46Å; D667-G670 VanDerWaalsContact OD1-N 3.15Å; G670-N672 PolarHBondContact O-N 2.99Å; G670-T673 PolarHBondContact O-N 2.95Å; G670-I674 WeakPolarHBondContact O-CG1 3.31Å; G670-I674 PolarHBondContact O-N 3.3Å; G670-I674 VanDerWaalsContact O-N 3.13Å
671I91.8Very high89.5Confident3 Ų351.8 Ų51.82%0.01530%0.297CS..Hα-helixtrans-55-52.4171.4-69.7174.8000110.1L659 I663 D667 L669 T673 I674 M675 R695 W698L659-I671 HydrophobicContact CD1-CB 4.35Å; L659-I671 HydrophobicContact CD1-CG1 4.27Å; L659-I671 HydrophobicContact CD1-CG2 3.98Å; I663-I671 HydrophobicContact CG1-CD1 3.75Å; I663-I671 HydrophobicContact CG1-CG1 4.45Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 2.95Å; L669-I671 VanDerWaalsContact C-N 3.34Å; L669-I671 PolarHBondContact O-N 3.25Å; I671-T673 PolarHBondContact O-N 3.5Å; I671-I674 PolarHBondContact O-N 3.23Å; I671-M675 HydrophobicContact CG2-CG 4.34Å; I671-M675 VanDerWaalsContact O-CG 3.3Å; I671-M675 WeakPolarHBondContact O-CG 3.48Å; I671-M675 PolarHBondContact O-N 3.44Å; I671-R695 HydrophobicContact CG2-CG 4.32Å; I671-W698 HydrophobicContact CD1-CZ3 4.14Å
672N92.2Very high89.2Confident75 Ų7553.5 Ų53.540%0.40131%0.305SS..Hα-helixtrans-70-32.6-175.3-70.9-14.6000112.8I668 L669 G670 I674 M675 A676 R695I668-N672 WeakPolarHBondContact O-CB 3.28Å; I668-N672 VanDerWaalsContact O-CG 3.27Å; I668-N672 PolarHBondContact O-N 3Å; I668-N672 PolarHBondContact O-ND2 3.28Å; L669-N672 PolarHBondContact O-N 2.91Å; L669-N672 VanDerWaalsContact O-N 3.08Å; G670-N672 PolarHBondContact O-N 2.99Å; N672-I674 VanDerWaalsContact C-N 3.35Å; N672-M675 PolarHBondContact O-N 2.96Å; N672-A676 WeakPolarHBondContact O-CB 3.3Å; N672-A676 PolarHBondContact O-N 3.06Å; N672-R695 PolarHBondContact OD1-NH2 3.04Å
673T91.2Very high88.8Confident69 Ų6957.9 Ų57.942%0.42332%0.324SS..Hα-helixtrans-61.3-41.4171-56.90000111.6L669 G670 I671 A676 G677L669-T673 PolarHBondContact O-N 3.21Å; L669-T673 PolarHBondContact O-OG1 3.33Å; L669-T673 VanDerWaalsContact O-OG1 3.06Å; G670-T673 PolarHBondContact O-N 2.95Å; I671-T673 PolarHBondContact O-N 3.5Å; T673-A676 PolarHBondContact O-N 2.96Å; T673-G677 PolarHBondContact O-N 3.16Å; T673-G677 VanDerWaalsContact O-N 3.16Å
674I90.2Very high88.5Confident13 Ų1363.3 Ų63.37%0.06736%0.358CS..Hα-helixtrans-66.8-45.7174-66.9173.8000110.6T655 R658 L659 Y662 G670 I671 N672 A676 G677 L678T655-I674 HydrophobicContact CG2-CG2 4.08Å; R658-I674 HydrophobicContact CB-CD1 4.27Å; R658-I674 HydrophobicContact CG-CD1 3.75Å; L659-I674 HydrophobicContact CB-CD1 4.35Å; L659-I674 HydrophobicContact CB-CG2 4.4Å; L659-I674 HydrophobicContact CD1-CG2 4.44Å; Y662-I674 HydrophobicContact CD2-CD1 3.64Å; Y662-I674 HydrophobicContact CE2-CD1 3.7Å; Y662-I674 HydrophobicContact CE2-CG1 4.4Å; G670-I674 WeakPolarHBondContact O-CG1 3.31Å; G670-I674 PolarHBondContact O-N 3.3Å; G670-I674 VanDerWaalsContact O-N 3.13Å; I671-I674 PolarHBondContact O-N 3.23Å; N672-I674 VanDerWaalsContact C-N 3.35Å; I674-A676 PolarHBondContact O-N 3.16Å; I674-G677 PolarHBondContact O-N 3.36Å; I674-L678 HydrophobicContact CG2-CD1 3.92Å; I674-L678 HydrophobicContact CG2-CG 4.08Å; I674-L678 WeakPolarHBondContact O-CG 3.35Å; I674-L678 PolarHBondContact O-N 2.91Å
675M90Very high88.3Confident66 Ų6663.8 Ų63.833%0.32536%0.362SS..Hα-helixtrans-55.4-38177.3-69-65.1-59.600112.8I671 N672 L692I671-M675 HydrophobicContact CG2-CG 4.34Å; I671-M675 VanDerWaalsContact O-CG 3.3Å; I671-M675 WeakPolarHBondContact O-CG 3.48Å; I671-M675 PolarHBondContact O-N 3.44Å; N672-M675 PolarHBondContact O-N 2.96Å; M675-L692 HydrophobicContact CE-CD2 3.84Å; M675-L692 HydrophobicContact SD-CD2 3.32Å; M675-L692 WeakPolarHBondContact SD-CD2 3.43Å
676A89.6Confident88.3Confident91 Ų9167 Ų6775%0.75238%0.383SS*.Hα-helixtrans-73.1-31.3176.600000113.5N672 T673 I674N672-A676 WeakPolarHBondContact O-CB 3.3Å; N672-A676 PolarHBondContact O-N 3.06Å; T673-A676 PolarHBondContact O-N 2.96Å; I674-A676 PolarHBondContact O-N 3.16Å
677G86.4Confident88.3Confident54 Ų5465.2 Ų65.256%0.55737%0.374SS*.Hα-helixtrans-81.2-14.4176.600000115.1T673 I674 R679T673-G677 PolarHBondContact O-N 3.16Å; T673-G677 VanDerWaalsContact O-N 3.16Å; I674-G677 PolarHBondContact O-N 3.36Å; G677-R679 PolarHBondContact O-N 3.49Å; G677-R679 VanDerWaalsContact O-N 3.16Å
678L86.6Confident88.3Confident15 Ų1564.5 Ų64.58%0.07937%0.371CS..  trans-78.897.7-176.8-78.7173.9000112.7T655 I674 H682 I688 L692T655-L678 HydrophobicContact CG2-CD2 4.03Å; I674-L678 HydrophobicContact CG2-CD1 3.92Å; I674-L678 HydrophobicContact CG2-CG 4.08Å; I674-L678 WeakPolarHBondContact O-CG 3.35Å; I674-L678 PolarHBondContact O-N 2.91Å; L678-H682 HydrophobicContact CD2-CB 3.84Å; L678-I688 HydrophobicContact CD1-CG2 4.17Å; L678-I688 HydrophobicContact CD2-CD1 3.97Å; L678-I688 HydrophobicContact CD2-CG2 4.16Å; L678-L692 HydrophobicContact CD1-CD2 4.25Å
679R85Confident88.4Confident175 Ų17562.6 Ų62.666%0.6636%0.364SS*.  trans-53.5150.2166.9-67.3-177.6174.4-173.6-1.5111.2G677 T681 H682G677-R679 PolarHBondContact O-N 3.49Å; G677-R679 VanDerWaalsContact O-N 3.16Å; R679-T681 PolarHBondContact O-N 3.16Å; R679-H682 WeakPolarHBondContact O-CB 3.34Å; R679-H682 PolarHBondContact O-N 3.09Å
680P81.6Confident88.4Confident102 Ų10258.1 Ų58.166%0.66234%0.34SS*.G310 helixtrans-58.9-34.6178.923.6-33.6000112.7H682 K683P680-H682 PolarHBondContact O-N 3.4Å; P680-K683 WeakPolarHBondContact O-CB 3.21Å; P680-K683 PolarHBondContact O-N 2.84Å
681T85.6Confident88.6Confident94 Ų9457.8 Ų57.858%0.57734%0.336SS*.G310 helixtrans-59.9-21.6173.551.40000114R679 T684R679-T681 PolarHBondContact O-N 3.16Å; T681-T684 PolarHBondContact O-OG1 3.47Å
682H86.1Confident88.6Confident48 Ų4859.1 Ų59.122%0.22234%0.344CS..G310 helixtrans-80.8-24.9177.5-57.8-177.4000111.1L652 L678 R679 P680 T684 N685 I688L652-H682 HydrophobicContact CD2-CB 4.1Å; L678-H682 HydrophobicContact CD2-CB 3.84Å; R679-H682 WeakPolarHBondContact O-CB 3.34Å; R679-H682 PolarHBondContact O-N 3.09Å; P680-H682 PolarHBondContact O-N 3.4Å; H682-T684 VanDerWaalsContact C-N 3.28Å; H682-T684 PolarHBondContact O-N 3.35Å; H682-N685 PolarHBondContact O-N 3.06Å; H682-N685 PolarHBondContact O-ND2 3.45Å; H682-I688 HydrophobicContact CB-CD1 3.96Å; H682-I688 WeakPolarHBondContact O-CD1 3.23Å
683K84.3Confident88.6Confident102 Ų10260.2 Ų60.244%0.44335%0.345SS..THydrogen-bonded Turntrans-74.2-13.8-174.1-57.2-178.7-178.1175.10114.1P680 N685 L692P680-K683 WeakPolarHBondContact O-CB 3.21Å; P680-K683 PolarHBondContact O-N 2.84Å; K683-N685 VanDerWaalsContact C-N 3.34Å; K683-L692 HydrophobicContact CB-CD1 4.39Å; K683-L692 HydrophobicContact CD-CD1 4.4Å; K683-L692 HydrophobicContact CG-CD1 4Å
684T86.1Confident88.6Confident114 Ų11457 Ų5770%0.69933%0.325SS*.THydrogen-bonded Turntrans-70.8-28.8174.353.20000112.6T681 H682T681-T684 PolarHBondContact O-OG1 3.47Å; H682-T684 VanDerWaalsContact C-N 3.28Å; H682-T684 PolarHBondContact O-N 3.35Å
685N88.6Confident88.7Confident49 Ų4958.9 Ų58.926%0.26233%0.331SS..SBendtrans-64.6136-176.7-65.3-89.8000111L652 H682 K683 C687 I688 S689L652-N685 WeakPolarHBondContact CD1-ND2 3.44Å; H682-N685 PolarHBondContact O-N 3.06Å; H682-N685 PolarHBondContact O-ND2 3.45Å; K683-N685 VanDerWaalsContact C-N 3.34Å; N685-C687 VanDerWaalsContact C-N 3.34Å; N685-C687 PolarHBondContact O-N 3.1Å; N685-I688 HydrophobicContact CB-CB 4.43Å; N685-I688 PolarHBondContact O-N 3.2Å; N685-S689 VanDerWaalsContact O-CB 3.3Å; N685-S689 WeakPolarHBondContact O-CB 3.5Å; N685-S689 PolarHBondContact O-N 3.38Å
686P88.5Confident88.8Confident86 Ų8657.7 Ų57.756%0.55833%0.329SS*.Hα-helixtrans-59-43.3-174.521.8-32.3000112.1I688 S689 F690 P720P686-I688 PolarHBondContact O-N 3.49Å; P686-S689 PolarHBondContact O-N 2.69Å; P686-F690 WeakPolarHBondContact O-CB 3.27Å; P686-F690 PolarHBondContact O-N 3.43Å; P686-P720 HydrophobicContact CB-CB 4.16Å; P686-P720 HydrophobicContact CB-CG 4.29Å
687C89.3Confident88.8Confident9 Ų953.4 Ų53.46%0.06129%0.294CS..Hα-helixtrans-63.3-43.3180-51.70000112.8A656 N685 A691A656-C687 HydrophobicContact CB-CB 3.73Å; A656-C687 WeakPolarHBondContact CB-O 3.48Å; N685-C687 VanDerWaalsContact C-N 3.34Å; N685-C687 PolarHBondContact O-N 3.1Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.12Å
688I92Very high89.1Confident1 Ų152.3 Ų52.31%0.00527%0.273CS..Hα-helixtrans-71.6-43.4178.2-65.6178.1000110.2L652 A656 L678 H682 N685 P686 F690 A691 L692L652-I688 HydrophobicContact CB-CD1 3.83Å; L652-I688 HydrophobicContact CD2-CD1 3.92Å; L652-I688 HydrophobicContact CG-CD1 4.43Å; L652-I688 WeakPolarHBondContact O-CD1 3.18Å; L652-I688 VanDerWaalsContact O-CG1 3.31Å; L652-I688 WeakPolarHBondContact O-CG1 3.17Å; A656-I688 HydrophobicContact CB-CG1 4.04Å; L678-I688 HydrophobicContact CD1-CG2 4.17Å; L678-I688 HydrophobicContact CD2-CD1 3.97Å; L678-I688 HydrophobicContact CD2-CG2 4.16Å; H682-I688 HydrophobicContact CB-CD1 3.96Å; H682-I688 WeakPolarHBondContact O-CD1 3.23Å; N685-I688 HydrophobicContact CB-CB 4.43Å; N685-I688 PolarHBondContact O-N 3.2Å; P686-I688 PolarHBondContact O-N 3.49Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 2.87Å; I688-A691 PolarHBondContact O-N 3.45Å; I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.19Å; I688-L692 WeakPolarHBondContact O-CB 3.44Å; I688-L692 WeakPolarHBondContact O-CG 3.28Å; I688-L692 PolarHBondContact O-N 3.02Å
689S91Very high89.2Confident33 Ų3352.9 Ų52.923%0.23128%0.278CS..Hα-helixtrans-56.9-44174.4-169.50000111.5N685 P686 K693N685-S689 VanDerWaalsContact O-CB 3.3Å; N685-S689 WeakPolarHBondContact O-CB 3.5Å; N685-S689 PolarHBondContact O-N 3.38Å; P686-S689 PolarHBondContact O-N 2.69Å; S689-K693 WeakPolarHBondContact O-CB 3.4Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.83Å; S689-K693 WeakPolarHBondContact OG-CE 3.45Å; S689-K693 PolarHBondContact OG-NZ 3.4Å
690F91.3Very high89.4Confident14 Ų1450.7 Ų50.76%0.06128%0.279CS..Hα-helixtrans-61.4-54173.9178.7-96.9000112.1P686 I688 L692 K693 L694 L709 L710 P719 P720 C723P686-F690 WeakPolarHBondContact O-CB 3.27Å; P686-F690 PolarHBondContact O-N 3.43Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 2.87Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 3.29Å; F690-K693 PolarHBondContact O-N 3.46Å; F690-K693 VanDerWaalsContact O-N 3.11Å; F690-L694 HydrophobicContact CZ-CD1 4.32Å; F690-L694 PolarHBondContact O-N 3.27Å; F690-L709 HydrophobicContact CE2-CB 4.11Å; F690-L709 VanDerWaalsContact CE2-O 3.31Å; F690-L709 WeakPolarHBondContact CE2-O 3.24Å; F690-L710 HydrophobicContact CZ-CD2 4.11Å; F690-P719 HydrophobicContact CD2-CB 4.43Å; F690-P719 HydrophobicContact CE1-CB 4.26Å; F690-P719 HydrophobicContact CE2-CB 3.75Å; F690-P719 HydrophobicContact CZ-CB 3.66Å; F690-P720 HydrophobicContact CB-CG 3.8Å; F690-P720 HydrophobicContact CG-CG 4.14Å; F690-C723 HydrophobicContact CD1-CB 3.84Å; F690-C723 HydrophobicContact CE1-CB 3.82Å
691A92.7Very high89.7Confident0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-61.5-33.3-179.200000112.6A656 L659 L660 C687 I688 R695A656-A691 HydrophobicContact CB-CB 4.13Å; L659-A691 HydrophobicContact CD2-CB 3.95Å; L659-A691 HydrophobicContact CG-CB 4.45Å; L660-A691 HydrophobicContact CD1-CB 4.46Å; L660-A691 HydrophobicContact CD2-CB 3.96Å; L660-A691 HydrophobicContact CG-CB 3.97Å; C687-A691 WeakPolarHBondContact O-CB 3.36Å; C687-A691 PolarHBondContact O-N 3.12Å; I688-A691 PolarHBondContact O-N 3.45Å; A691-R695 WeakPolarHBondContact O-CB 3.21Å; A691-R695 PolarHBondContact O-N 3.37Å
692L92.4Very high89.9Confident32 Ų3247 Ų4717%0.16825%0.254CS..Hα-helixtrans-70.7-40.3173-69.9173.8000113L659 M675 L678 K683 I688 F690 S696L659-L692 HydrophobicContact CD2-CD2 4.09Å; M675-L692 HydrophobicContact CE-CD2 3.84Å; M675-L692 HydrophobicContact SD-CD2 3.32Å; M675-L692 WeakPolarHBondContact SD-CD2 3.43Å; L678-L692 HydrophobicContact CD1-CD2 4.25Å; K683-L692 HydrophobicContact CB-CD1 4.39Å; K683-L692 HydrophobicContact CD-CD1 4.4Å; K683-L692 HydrophobicContact CG-CD1 4Å; I688-L692 HydrophobicContact CG2-CD1 3.79Å; I688-L692 HydrophobicContact CG2-CG 4.19Å; I688-L692 WeakPolarHBondContact O-CB 3.44Å; I688-L692 WeakPolarHBondContact O-CG 3.28Å; I688-L692 PolarHBondContact O-N 3.02Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 3.29Å; L692-S696 PolarHBondContact O-N 2.98Å; L692-S696 PolarHBondContact O-OG 3.23Å
693K91.3Very high90.1Very high98 Ų9846.7 Ų46.743%0.42625%0.251SS..Hα-helixtrans-64-41.7173.2-72.3164.1-174.6173.40111.1S689 F690 S696 A697 L709S689-K693 WeakPolarHBondContact O-CB 3.4Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.3Å; S689-K693 PolarHBondContact O-N 2.83Å; S689-K693 WeakPolarHBondContact OG-CE 3.45Å; S689-K693 PolarHBondContact OG-NZ 3.4Å; F690-K693 PolarHBondContact O-N 3.46Å; F690-K693 VanDerWaalsContact O-N 3.11Å; K693-S696 PolarHBondContact O-N 2.98Å; K693-S696 PolarHBondContact O-OG 3.26Å; K693-A697 WeakPolarHBondContact O-CB 3.44Å; K693-A697 PolarHBondContact O-N 3.1Å; K693-L709 HydrophobicContact CB-CD1 3.98Å; K693-L709 HydrophobicContact CB-CD2 4.24Å
694L91.7Very high90.2Very high0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-68.5-45.3176.7-161.184.6000111.4L660 F690 S696 A697 W698 F706 L709 L710 V727 F730L660-L694 HydrophobicContact CD2-CB 4.47Å; L660-L694 HydrophobicContact CD2-CD2 3.48Å; L660-L694 VanDerWaalsContact CD2-CD2 3.48Å; F690-L694 HydrophobicContact CZ-CD1 4.32Å; F690-L694 PolarHBondContact O-N 3.27Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.42Å; L694-A697 PolarHBondContact O-N 3.22Å; L694-W698 VanDerWaalsContact O-CB 3.24Å; L694-W698 WeakPolarHBondContact O-CB 3.22Å; L694-W698 PolarHBondContact O-N 3.07Å; L694-F706 HydrophobicContact CD1-CD2 3.6Å; L694-F706 HydrophobicContact CD1-CE2 3.71Å; L694-F706 HydrophobicContact CD1-CG 4.32Å; L694-F706 HydrophobicContact CD2-CE2 3.89Å; L694-F706 HydrophobicContact CG-CD2 3.83Å; L694-F706 HydrophobicContact CG-CE2 3.69Å; L694-L709 HydrophobicContact CD1-CB 4.05Å; L694-L709 HydrophobicContact CD1-CD1 4.25Å; L694-L710 HydrophobicContact CD1-CD2 4.27Å; L694-L710 HydrophobicContact CD1-CG 4.19Å; L694-V727 HydrophobicContact CD2-CB 4.46Å; L694-V727 HydrophobicContact CD2-CG1 4.03Å; L694-V727 HydrophobicContact CD2-CG2 3.49Å; L694-V727 VanDerWaalsContact CD2-CG2 3.49Å; L694-F730 HydrophobicContact CD2-CZ 4.36Å
695R92.1Very high90.3Very high53 Ų5348.7 Ų48.720%0.225%0.249CC..Hα-helixtrans-55.1-45.1173.6-175.2-149.5173.8-81.15.7111.3I663 I671 N672 A691 S699I663-R695 HydrophobicContact CD1-CB 3.96Å; I663-R695 HydrophobicContact CD1-CG 4.29Å; I671-R695 HydrophobicContact CG2-CG 4.32Å; N672-R695 PolarHBondContact OD1-NH2 3.04Å; A691-R695 WeakPolarHBondContact O-CB 3.21Å; A691-R695 PolarHBondContact O-N 3.37Å; R695-S699 VanDerWaalsContact O-CB 3.22Å; R695-S699 WeakPolarHBondContact O-CB 3.22Å; R695-S699 PolarHBondContact O-N 2.86Å; R695-S699 PolarHBondContact O-OG 3.36Å; R695-S699 VanDerWaalsContact O-OG 3.05Å
696S91.7Very high90.3Very high41 Ų4146.5 Ų46.529%0.28724%0.237SC..Hα-helixtrans-68.3-47-179.459.40000111.8L692 K693 L694 W698 S699 L700L692-S696 PolarHBondContact O-N 2.98Å; L692-S696 PolarHBondContact O-OG 3.23Å; K693-S696 PolarHBondContact O-N 2.98Å; K693-S696 PolarHBondContact O-OG 3.26Å; L694-S696 VanDerWaalsContact C-N 3.31Å; L694-S696 PolarHBondContact O-N 3.42Å; S696-W698 PolarHBondContact O-N 2.92Å; S696-S699 WeakPolarHBondContact CA-OG 3.24Å; S696-S699 PolarHBondContact O-N 3.25Å; S696-S699 PolarHBondContact O-OG 2.82Å; S696-L700 WeakPolarHBondContact O-CG 3.38Å; S696-L700 PolarHBondContact O-N 3.05Å
697A91.3Very high90.3Very high1 Ų145 Ų451%0.00822%0.221CC..Hα-helixtrans-56.5-47.6174.300000112.6K693 L694 L700 S701 N702 R705 F706 L709K693-A697 WeakPolarHBondContact O-CB 3.44Å; K693-A697 PolarHBondContact O-N 3.1Å; L694-A697 PolarHBondContact O-N 3.22Å; A697-L700 PolarHBondContact O-N 2.85Å; A697-S701 PolarHBondContact O-N 2.88Å; A697-N702 PolarHBondContact O-N 3.29Å; A697-R705 HydrophobicContact CB-CB 4.08Å; A697-R705 HydrophobicContact CB-CG 4.03Å; A697-F706 HydrophobicContact CB-CB 4.39Å; A697-L709 HydrophobicContact CB-CD1 4.3Å
698W91.5Very high90.2Very high31 Ų3149.3 Ų49.312%0.11724%0.241CC..Hα-helixtrans-60.2-48.3175176.875.4000112I663 L666 I671 L694 S696 L700 S701 F706 E734I663-W698 HydrophobicContact CG1-CE3 4.36Å; I663-W698 HydrophobicContact CG2-CD2 3.66Å; I663-W698 HydrophobicContact CG2-CE3 4.07Å; I663-W698 HydrophobicContact CG2-CG 3.93Å; I663-W698 HydrophobicContact CG2-CZ2 4.27Å; L666-W698 HydrophobicContact CD2-CH2 4.1Å; L666-W698 HydrophobicContact CD2-CZ2 3.53Å; I671-W698 HydrophobicContact CD1-CZ3 4.14Å; L694-W698 VanDerWaalsContact O-CB 3.24Å; L694-W698 WeakPolarHBondContact O-CB 3.22Å; L694-W698 PolarHBondContact O-N 3.07Å; S696-W698 PolarHBondContact O-N 2.92Å; W698-L700 PolarHBondContact O-N 2.93Å; W698-S701 PolarHBondContact O-N 3.21Å; W698-F706 HydrophobicContact CB-CD2 4.24Å; W698-F706 HydrophobicContact CB-CE2 4.44Å; W698-E734 VanDerWaalsContact CD1-CD 3.47Å; W698-E734 VanDerWaalsContact NE1-CD 3.27Å; W698-E734 PolarHBondContact NE1-OE1 3.35Å; W698-E734 PolarHBondContact NE1-OE2 3.05Å
699S89.4Confident89.9Confident28 Ų2851 Ų5120%0.19625%0.25CC..Hα-helixtrans-65.4-23.1-178.7670000114.1F288 R695 S696F288-S699 VanDerWaalsContact CE1-O 3.27Å; F288-S699 WeakPolarHBondContact CE1-O 3.35Å; R695-S699 VanDerWaalsContact O-CB 3.22Å; R695-S699 WeakPolarHBondContact O-CB 3.22Å; R695-S699 PolarHBondContact O-N 2.86Å; R695-S699 PolarHBondContact O-OG 3.36Å; R695-S699 VanDerWaalsContact O-OG 3.05Å; S696-S699 WeakPolarHBondContact CA-OG 3.24Å; S696-S699 PolarHBondContact O-N 3.25Å; S696-S699 PolarHBondContact O-OG 2.82Å
700L89.8Confident89.4Confident128 Ų12849.6 Ų49.667%0.6724%0.24SC*.THydrogen-bonded Turntrans-91.14174.2-65.7171.8000112.9S696 A697 W698 N702S696-L700 WeakPolarHBondContact O-CG 3.38Å; S696-L700 PolarHBondContact O-N 3.05Å; A697-L700 PolarHBondContact O-N 2.85Å; W698-L700 PolarHBondContact O-N 2.93Å; L700-N702 HydrophobicContact CB-CB 4.4Å; L700-N702 PolarHBondContact O-N 3.39Å; L700-N702 VanDerWaalsContact O-N 3.13Å
701S87.3Confident88.9Confident51 Ų5154.6 Ų54.636%0.35726%0.259SS..THydrogen-bonded Turntrans5227.5-170.2-53.60000113.6A697 W698 Y703A697-S701 PolarHBondContact O-N 2.88Å; W698-S701 PolarHBondContact O-N 3.21Å; S701-Y703 VanDerWaalsContact C-N 3.32Å; S701-Y703 WeakPolarHBondContact O-CD2 3.48Å; S701-Y703 WeakPolarHBondContact O-CE2 3.46Å; S701-Y703 PolarHBondContact O-N 3.33Å
702N90.7Very high88.1Confident69 Ų6955.9 Ų55.937%0.36927%0.268SS..  trans-85.378.4-179.4-171.3-29000109.7A697 L700 H704 R705 F706A697-N702 PolarHBondContact O-N 3.29Å; L700-N702 HydrophobicContact CB-CB 4.4Å; L700-N702 PolarHBondContact O-N 3.39Å; L700-N702 VanDerWaalsContact O-N 3.13Å; N702-H704 VanDerWaalsContact C-N 3.26Å; N702-H704 PolarHBondContact O-N 3.18Å; N702-R705 HydrophobicContact CB-CB 4.31Å; N702-R705 PolarHBondContact O-N 3.24Å; N702-R705 WeakPolarHBondContact OD1-CB 3.2Å; N702-R705 PolarHBondContact OD1-N 3.21Å; N702-F706 WeakPolarHBondContact O-CB 3.38Å; N702-F706 PolarHBondContact O-N 2.93Å
703Y89Confident86.9Confident41 Ų4160.9 Ų60.916%0.16130%0.299CS..Hα-helixtrans-60.2-33.4-178.1-58.4-68.5000113S701 F706 F707 E734 A738 L741S701-Y703 VanDerWaalsContact C-N 3.32Å; S701-Y703 WeakPolarHBondContact O-CD2 3.48Å; S701-Y703 WeakPolarHBondContact O-CE2 3.46Å; S701-Y703 PolarHBondContact O-N 3.33Å; Y703-F706 PolarHBondContact O-N 2.93Å; Y703-F707 WeakPolarHBondContact O-CD2 3.47Å; Y703-F707 PolarHBondContact O-N 3.34Å; Y703-E734 HydrophobicContact CE1-CB 4.4Å; Y703-A738 HydrophobicContact CD1-CB 3.67Å; Y703-A738 HydrophobicContact CD2-CB 3.6Å; Y703-A738 HydrophobicContact CE1-CB 4.08Å; Y703-A738 HydrophobicContact CE2-CB 4.02Å; Y703-A738 HydrophobicContact CG-CB 3.4Å; Y703-A738 VanDerWaalsContact CG-CB 3.4Å; Y703-L741 HydrophobicContact CD2-CD2 4.4Å; Y703-L741 HydrophobicContact CE2-CB 4.28Å; Y703-L741 HydrophobicContact CE2-CD2 3.8Å
704H87.4Confident85.9Confident134 Ų13459.9 Ų59.962%0.6230%0.299SS*.Hα-helixtrans-59.2-54175.1-172.6-87.4000110.8N702 F706 F707 Q708N702-H704 VanDerWaalsContact C-N 3.26Å; N702-H704 PolarHBondContact O-N 3.18Å; H704-F706 VanDerWaalsContact C-N 3.3Å; H704-F706 PolarHBondContact O-N 2.95Å; H704-F707 PolarHBondContact O-N 3.5Å; H704-Q708 PolarHBondContact CE1-NE2 3.15Å; H704-Q708 PolarHBondContact CE1-OE1 3.24Å; H704-Q708 VanDerWaalsContact CE1-OE1 3.29Å; H704-Q708 VanDerWaalsContact ND1-CD 3.3Å; H704-Q708 PolarHBondContact ND1-OE1 2.62Å; H704-Q708 WeakPolarHBondContact O-CB 3.1Å; H704-Q708 VanDerWaalsContact O-CG 3.32Å; H704-Q708 WeakPolarHBondContact O-CG 3.48Å; H704-Q708 PolarHBondContact O-N 3.29Å
705R87.1Confident84.8Confident124 Ų12465.9 Ų65.947%0.46833%0.331SS..Hα-helixtrans-64.7-33.8177.3-169.5176.3-173.5168.44.9112.4A697 N702 L709A697-R705 HydrophobicContact CB-CB 4.08Å; A697-R705 HydrophobicContact CB-CG 4.03Å; N702-R705 HydrophobicContact CB-CB 4.31Å; N702-R705 PolarHBondContact O-N 3.24Å; N702-R705 WeakPolarHBondContact OD1-CB 3.2Å; N702-R705 PolarHBondContact OD1-N 3.21Å; R705-L709 HydrophobicContact CG-CD1 4.39Å; R705-L709 WeakPolarHBondContact O-CD1 3.34Å; R705-L709 VanDerWaalsContact O-CG 3.26Å; R705-L709 WeakPolarHBondContact O-CG 3.32Å; R705-L709 PolarHBondContact O-N 3.01Å; R705-L709 VanDerWaalsContact O-N 3.15Å
706F88.7Confident83.6Confident2 Ų270.9 Ų70.91%0.00936%0.362CS..Hα-helixtrans-62.8-48.3175.2-179.8-92.8000111.7L694 A697 W698 N702 Y703 H704 L709 L710 V727 F730 E734L694-F706 HydrophobicContact CD1-CD2 3.6Å; L694-F706 HydrophobicContact CD1-CE2 3.71Å; L694-F706 HydrophobicContact CD1-CG 4.32Å; L694-F706 HydrophobicContact CD2-CE2 3.89Å; L694-F706 HydrophobicContact CG-CD2 3.83Å; L694-F706 HydrophobicContact CG-CE2 3.69Å; A697-F706 HydrophobicContact CB-CB 4.39Å; W698-F706 HydrophobicContact CB-CD2 4.24Å; W698-F706 HydrophobicContact CB-CE2 4.44Å; N702-F706 WeakPolarHBondContact O-CB 3.38Å; N702-F706 PolarHBondContact O-N 2.93Å; Y703-F706 PolarHBondContact O-N 2.93Å; H704-F706 VanDerWaalsContact C-N 3.3Å; H704-F706 PolarHBondContact O-N 2.95Å; F706-L709 PolarHBondContact O-N 3.23Å; F706-L710 HydrophobicContact CD1-CD1 3.91Å; F706-L710 HydrophobicContact CE1-CD1 3.47Å; F706-L710 VanDerWaalsContact CE1-CD1 3.47Å; F706-L710 HydrophobicContact CZ-CD1 3.85Å; F706-L710 PolarHBondContact O-N 3.48Å; F706-V727 HydrophobicContact CE2-CG1 4.47Å; F706-V727 HydrophobicContact CZ-CG1 3.85Å; F706-F730 AromaticContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CZ-CD2 4.23Å; F706-F730 AromaticContact CZ-CE2 3.82Å; F706-F730 HydrophobicContact CZ-CE2 3.82Å; F706-E734 HydrophobicContact CD1-CB 4.48Å; F706-E734 HydrophobicContact CE1-CB 3.93Å; F706-E734 HydrophobicContact CE1-CG 4.08Å; F706-E734 HydrophobicContact CE2-CG 4.48Å; F706-E734 HydrophobicContact CZ-CB 4.25Å; F706-E734 HydrophobicContact CZ-CG 3.87Å
707F88Confident82.4Confident54 Ų5475.4 Ų75.424%0.23738%0.378CS..Hα-helixtrans-71.3-36.9178-71.7-60.3000112.9Y703 H704 L709 L710 Y711 V731 R735Y703-F707 WeakPolarHBondContact O-CD2 3.47Å; Y703-F707 PolarHBondContact O-N 3.34Å; H704-F707 PolarHBondContact O-N 3.5Å; F707-L709 PolarHBondContact O-N 3.29Å; F707-L710 PolarHBondContact O-N 3.43Å; F707-Y711 PolarHBondContact O-N 3.49Å; F707-V731 HydrophobicContact CE1-CG1 4.3Å; F707-R735 HydrophobicContact CZ-CB 4.08Å
708Q87.7Confident81.2Confident100 Ų10080.7 Ų80.747%0.46740%0.403SS..Hα-helixtrans-59.6-29.9172.3-75.9-178.9-58.400113.6H704 Y711 P712H704-Q708 PolarHBondContact CE1-NE2 3.15Å; H704-Q708 PolarHBondContact CE1-OE1 3.24Å; H704-Q708 VanDerWaalsContact CE1-OE1 3.29Å; H704-Q708 VanDerWaalsContact ND1-CD 3.3Å; H704-Q708 PolarHBondContact ND1-OE1 2.62Å; H704-Q708 WeakPolarHBondContact O-CB 3.1Å; H704-Q708 VanDerWaalsContact O-CG 3.32Å; H704-Q708 WeakPolarHBondContact O-CG 3.48Å; H704-Q708 PolarHBondContact O-N 3.29Å; Q708-Y711 CarbonylContact O-C 3.56Å; Q708-P712 VanDerWaalsContact O-CA 3.23Å; Q708-P712 WeakPolarHBondContact O-CA 3.35Å
709L85Confident80.4Confident36 Ų3679.9 Ų79.919%0.18840%0.401CS..Hα-helixtrans-76-26.8175.2-73.9166.6000112.5F690 K693 L694 A697 R705 F706 F707F690-L709 HydrophobicContact CE2-CB 4.11Å; F690-L709 VanDerWaalsContact CE2-O 3.31Å; F690-L709 WeakPolarHBondContact CE2-O 3.24Å; K693-L709 HydrophobicContact CB-CD1 3.98Å; K693-L709 HydrophobicContact CB-CD2 4.24Å; L694-L709 HydrophobicContact CD1-CB 4.05Å; L694-L709 HydrophobicContact CD1-CD1 4.25Å; A697-L709 HydrophobicContact CB-CD1 4.3Å; R705-L709 HydrophobicContact CG-CD1 4.39Å; R705-L709 WeakPolarHBondContact O-CD1 3.34Å; R705-L709 VanDerWaalsContact O-CG 3.26Å; R705-L709 WeakPolarHBondContact O-CG 3.32Å; R705-L709 PolarHBondContact O-N 3.01Å; R705-L709 VanDerWaalsContact O-N 3.15Å; F706-L709 PolarHBondContact O-N 3.23Å; F707-L709 PolarHBondContact O-N 3.29Å
710L81.4Confident79.8Confident4 Ų479.9 Ų79.92%0.02140%0.401CS..Hα-helixtrans-91.4-32.8-178.3-65.6168.3000113.1F690 L694 F706 F707 V727 V731F690-L710 HydrophobicContact CZ-CD2 4.11Å; L694-L710 HydrophobicContact CD1-CD2 4.27Å; L694-L710 HydrophobicContact CD1-CG 4.19Å; F706-L710 HydrophobicContact CD1-CD1 3.91Å; F706-L710 HydrophobicContact CE1-CD1 3.47Å; F706-L710 VanDerWaalsContact CE1-CD1 3.47Å; F706-L710 HydrophobicContact CZ-CD1 3.85Å; F706-L710 PolarHBondContact O-N 3.48Å; F707-L710 PolarHBondContact O-N 3.43Å; L710-V727 HydrophobicContact CD1-CG1 3.63Å; L710-V727 HydrophobicContact CD2-CB 3.73Å; L710-V727 HydrophobicContact CD2-CG1 3.5Å; L710-V727 HydrophobicContact CD2-CG2 4.08Å; L710-V727 HydrophobicContact CG-CG1 4.19Å; L710-V731 HydrophobicContact CD1-CG2 3.9Å
711Y79.9Confident79.3Confident119 Ų11979 Ų7947%0.46740%0.396SS..SBendtrans-129.673.4176.5-54.7-83.9000107.7F707 Q708F707-Y711 PolarHBondContact O-N 3.49Å; Q708-Y711 CarbonylContact O-C 3.56Å
712P77.5Confident79.1Confident28 Ų2879.7 Ų79.718%0.18239%0.391CS..  trans-63.2147.517329.4-35.9000109.7Q708 N714 Q717 Q718Q708-P712 VanDerWaalsContact O-CA 3.23Å; Q708-P712 WeakPolarHBondContact O-CA 3.35Å; P712-N714 PolarHBondContact O-N 2.97Å; P712-Q717 HydrophobicContact CB-CB 3.95Å; P712-Q717 HydrophobicContact CG-CB 4.33Å; P712-Q718 HydrophobicContact CG-CG 4.5Å
713T65.5Low78.9Confident136 Ų13676.4 Ų76.483%0.83437%0.373SS*.SBendtrans-73.6-7.1173.647.70000113.4
714N72Confident78.9Confident78 Ų7878.2 Ų78.242%0.41738%0.382SS..SBendtrans-125.7123.8-175.1-52.622.6000107.6P712 D716 Q717P712-N714 PolarHBondContact O-N 2.97Å; N714-D716 PolarHBondContact O-N 3.39Å; N714-Q717 PolarHBondContact O-N 2.93Å; N714-Q717 VanDerWaalsContact O-N 3.11Å
715D68Low78.9Confident126 Ų12675 Ų7567%0.67437%0.367SS*.G310 helixtrans-62.6-28.8-176.8-77.5-55000113.4Q717 Q718D715-Q717 PolarHBondContact O-N 3.12Å; D715-Q718 VanDerWaalsContact O-CG 3.31Å; D715-Q718 WeakPolarHBondContact O-CG 3.38Å; D715-Q718 PolarHBondContact O-N 3.4Å; D715-Q718 PolarHBondContact OD1-NE2 3.32Å
716D66.6Low79.1Confident158 Ų15869.1 Ų69.185%0.84535%0.345SS*.G310 helixtrans-59.3-17.1175.7-48-53.4000114N714N714-D716 PolarHBondContact O-N 3.39Å
717Q66.9Low79.1Confident136 Ų13669 Ų6964%0.63635%0.345SS*.G310 helixtrans-108.912.5-176.4-60.8-1678.500113.7P712 N714 D715P712-Q717 HydrophobicContact CB-CB 3.95Å; P712-Q717 HydrophobicContact CG-CB 4.33Å; N714-Q717 PolarHBondContact O-N 2.93Å; N714-Q717 VanDerWaalsContact O-N 3.11Å; D715-Q717 PolarHBondContact O-N 3.12Å
718Q66Low79.2Confident112 Ų11270 Ų7052%0.52335%0.352SS..PPolyproline II helixtrans-51.7143.9178.9-78.9-175.529.700112.8P712 D715P712-Q718 HydrophobicContact CG-CG 4.5Å; D715-Q718 VanDerWaalsContact O-CG 3.31Å; D715-Q718 WeakPolarHBondContact O-CG 3.38Å; D715-Q718 PolarHBondContact O-N 3.4Å; D715-Q718 PolarHBondContact OD1-NE2 3.32Å
719P74.2Confident79.3Confident13 Ų1367.5 Ų67.58%0.08434%0.338CS..PPolyproline II helixtrans-60.6128-176.924.4-35.3000111.3F690 K724F690-P719 HydrophobicContact CD2-CB 4.43Å; F690-P719 HydrophobicContact CE1-CB 4.26Å; F690-P719 HydrophobicContact CE2-CB 3.75Å; F690-P719 HydrophobicContact CZ-CB 3.66Å; P719-K724 HydrophobicContact CB-CB 4.45Å; P719-K724 HydrophobicContact CG-CB 3.9Å; P719-K724 HydrophobicContact CG-CD 4.02Å; P719-K724 HydrophobicContact CG-CG 4.05Å
720P76.5Confident79.6Confident28 Ų2865.9 Ų65.918%0.18233%0.33CS..PPolyproline II helixtrans-71.1138.8-167.227.2-35.7000113.4P686 F690 C723P686-P720 HydrophobicContact CB-CB 4.16Å; P686-P720 HydrophobicContact CB-CG 4.29Å; F690-P720 HydrophobicContact CB-CG 3.8Å; F690-P720 HydrophobicContact CG-CG 4.14Å; P720-C723 WeakPolarHBondContact O-CB 3.33Å; P720-C723 PolarHBondContact O-N 3Å; P720-C723 PolarHBondContact O-SG 2.91Å
721L79.7Confident80Confident111 Ų11166 Ų6658%0.58133%0.331SS*.THydrogen-bonded Turntrans50.6-140.7178.3-54.8-179.9000111.7E653 Y657 C723E653-L721 VanDerWaalsContact CD-CD1 3.49Å; E653-L721 HydrophobicContact CG-CD1 3.89Å; Y657-L721 WeakPolarHBondContact OH-CB 3.41Å; L721-C723 PolarHBondContact O-N 3.03Å
722R83.3Confident80.5Confident65 Ų6564.3 Ų64.325%0.24533%0.33CS..THydrogen-bonded Turntrans-81.511.7-177.6-59.2-177.1175.583.25.3113.5D620 L623 E624 Y657 K724 H725D620-R722 VanDerWaalsContact CG-CZ 3.46Å; D620-R722 WeakPolarHBondContact OD1-CD 3.31Å; D620-R722 IonicContact OD1-CZ 3.18Å; D620-R722 IonicContact OD1-NE 2.77Å; D620-R722 IonicContact OD1-NH1 3.26Å; D620-R722 PolarHBondContact OD1-NH1 3.06Å; D620-R722 IonicContact OD2-CZ 3.92Å; D620-R722 IonicContact OD2-NH1 3.73Å; D620-R722 PolarHBondContact OD2-NH1 3.33Å; L623-R722 HydrophobicContact CB-CB 4.49Å; L623-R722 HydrophobicContact CD1-CB 3.86Å; E624-R722 IonicContact OE1-CZ 2.86Å; E624-R722 IonicContact OE1-NE 3.78Å; E624-R722 PolarHBondContact OE1-NE 3.44Å; E624-R722 IonicContact OE1-NH2 3.38Å; E624-R722 PolarHBondContact OE1-NH2 2.87Å; Y657-R722 HydrophobicContact CE1-CB 4.33Å; Y657-R722 HydrophobicContact CE2-CB 4.48Å; Y657-R722 WeakPolarHBondContact OH-CB 3.11Å; Y657-R722 PolarHBondContact OH-N 2.81Å; R722-K724 PolarHBondContact O-N 3.37Å; R722-K724 VanDerWaalsContact O-N 3.12Å; R722-H725 WeakPolarHBondContact O-CB 3.39Å; R722-H725 PolarHBondContact O-N 2.92Å
723C87.4Confident81.2Confident0 Ų066.2 Ų66.20%033%0.334CS..Hα-helixtrans-54.5-35.9179.9-72.20000112.4Y657 L660 F690 P720 L721 H725 V726 V727Y657-C723 HydrophobicContact CE1-CB 4.39Å; L660-C723 HydrophobicContact CD1-CB 4.07Å; F690-C723 HydrophobicContact CD1-CB 3.84Å; F690-C723 HydrophobicContact CE1-CB 3.82Å; P720-C723 WeakPolarHBondContact O-CB 3.33Å; P720-C723 PolarHBondContact O-N 3Å; P720-C723 PolarHBondContact O-SG 2.91Å; L721-C723 PolarHBondContact O-N 3.03Å; C723-H725 PolarHBondContact O-N 3.27Å; C723-V726 PolarHBondContact O-N 3.11Å; C723-V727 WeakPolarHBondContact O-CG2 3.17Å; C723-V727 PolarHBondContact O-N 3.3Å
724K88.1Confident82.3Confident78 Ų7860.2 Ų60.234%0.33930%0.296SS..Hα-helixtrans-57.8-44.1177.2-164.1176-1751760112.3P719 R722 V727 N728P719-K724 HydrophobicContact CB-CB 4.45Å; P719-K724 HydrophobicContact CG-CB 3.9Å; P719-K724 HydrophobicContact CG-CD 4.02Å; P719-K724 HydrophobicContact CG-CG 4.05Å; R722-K724 PolarHBondContact O-N 3.37Å; R722-K724 VanDerWaalsContact O-N 3.12Å; K724-V727 PolarHBondContact O-N 3.13Å; K724-N728 PolarHBondContact O-N 3.49Å; K724-N728 PolarHBondContact O-ND2 3.05Å; K724-N728 PolarHBondContact O-OD1 3.44Å
725H87.9Confident83.3Confident68 Ų6861.5 Ų61.532%0.31530%0.295SS..Hα-helixtrans-62.8-46-179.6-57108.3000111.9L623 R722 C723 V727 N728L623-H725 HydrophobicContact CB-CB 4.4Å; L623-H725 WeakPolarHBondContact O-CB 3.48Å; R722-H725 WeakPolarHBondContact O-CB 3.39Å; R722-H725 PolarHBondContact O-N 2.92Å; C723-H725 PolarHBondContact O-N 3.27Å; H725-V727 VanDerWaalsContact C-N 3.27Å; H725-V727 PolarHBondContact O-N 2.84Å; H725-N728 PolarHBondContact O-N 2.82Å
726V90.7Very high84.4Confident0 Ų062 Ų620%029%0.291CS..Hα-helixtrans-59.8-37.1177.2-173.30000112L623 Y657 L660 C723 W729L623-V726 HydrophobicContact CD2-CG2 3.51Å; Y657-V726 HydrophobicContact CD1-CG2 3.85Å; Y657-V726 HydrophobicContact CG-CG2 4.06Å; L660-V726 HydrophobicContact CB-CB 4.24Å; L660-V726 HydrophobicContact CB-CG1 3.49Å; L660-V726 VanDerWaalsContact CB-CG1 3.49Å; L660-V726 HydrophobicContact CD1-CB 4.28Å; L660-V726 HydrophobicContact CD1-CG1 4.42Å; C723-V726 PolarHBondContact O-N 3.11Å; V726-W729 HydrophobicContact CB-CE3 4.39Å; V726-W729 HydrophobicContact CB-CZ3 4.29Å; V726-W729 HydrophobicContact CG1-CE3 3.91Å; V726-W729 HydrophobicContact CG1-CZ3 3.77Å; V726-W729 HydrophobicContact CG2-CZ3 4.46Å
727V89.9Confident85.5Confident0 Ų056.5 Ų56.50%026%0.26CS..Hα-helixtrans-78.7-34.1-178.2-176.60000112.3L660 L694 F706 L710 C723 K724 H725 W729 F730 V731L660-V727 HydrophobicContact CD1-CG2 4.1Å; L660-V727 HydrophobicContact CD2-CG2 3.94Å; L660-V727 HydrophobicContact CG-CG2 4.48Å; L694-V727 HydrophobicContact CD2-CB 4.46Å; L694-V727 HydrophobicContact CD2-CG1 4.03Å; L694-V727 HydrophobicContact CD2-CG2 3.49Å; L694-V727 VanDerWaalsContact CD2-CG2 3.49Å; F706-V727 HydrophobicContact CE2-CG1 4.47Å; F706-V727 HydrophobicContact CZ-CG1 3.85Å; L710-V727 HydrophobicContact CD1-CG1 3.63Å; L710-V727 HydrophobicContact CD2-CB 3.73Å; L710-V727 HydrophobicContact CD2-CG1 3.5Å; L710-V727 HydrophobicContact CD2-CG2 4.08Å; L710-V727 HydrophobicContact CG-CG1 4.19Å; C723-V727 WeakPolarHBondContact O-CG2 3.17Å; C723-V727 PolarHBondContact O-N 3.3Å; K724-V727 PolarHBondContact O-N 3.13Å; H725-V727 VanDerWaalsContact C-N 3.27Å; H725-V727 PolarHBondContact O-N 2.84Å; V727-W729 PolarHBondContact O-N 2.86Å; V727-F730 HydrophobicContact CB-CE1 4.27Å; V727-F730 HydrophobicContact CB-CZ 4.26Å; V727-F730 HydrophobicContact CG1-CE1 4.19Å; V727-F730 HydrophobicContact CG1-CE2 4.07Å; V727-F730 HydrophobicContact CG1-CZ 3.83Å; V727-F730 HydrophobicContact CG2-CE1 4.31Å; V727-F730 HydrophobicContact CG2-CZ 4.11Å; V727-F730 WeakPolarHBondContact O-CD1 3.49Å; V727-F730 PolarHBondContact O-N 3.04Å; V727-V731 HydrophobicContact CG1-CG2 4.01Å; V727-V731 WeakPolarHBondContact O-CG2 3.46Å; V727-V731 PolarHBondContact O-N 3.41Å
728N89.5Confident86.6Confident74 Ų7450.5 Ų50.540%0.39623%0.234SC..Hα-helixtrans-50.4-36177-72.2-18000112.3K724 H725 F730 V731K724-N728 PolarHBondContact O-N 3.49Å; K724-N728 PolarHBondContact O-ND2 3.05Å; K724-N728 PolarHBondContact O-OD1 3.44Å; H725-N728 PolarHBondContact O-N 2.82Å; N728-F730 PolarHBondContact O-N 3.36Å; N728-F730 VanDerWaalsContact O-N 3.13Å; N728-V731 PolarHBondContact O-N 3.37Å
729W89.1Confident87.9Confident47 Ų4749 Ų4918%0.17823%0.228CC..Hα-helixtrans-54.2-28.4175.7-62.1-33.2000115.1L623 G626 F628 F631 Y661 F664 V726 V727L623-W729 HydrophobicContact CD2-CH2 3.52Å; L623-W729 HydrophobicContact CD2-CZ2 3.89Å; L623-W729 HydrophobicContact CD2-CZ3 4.36Å; G626-W729 PolarHBondContact O-NE1 3.36Å; F628-W729 HydrophobicContact CB-CD2 3.85Å; F628-W729 HydrophobicContact CB-CE3 3.94Å; F628-W729 HydrophobicContact CB-CH2 3.85Å; F628-W729 HydrophobicContact CB-CZ2 3.74Å; F628-W729 HydrophobicContact CB-CZ3 3.95Å; F631-W729 HydrophobicContact CB-CH2 3.9Å; F631-W729 HydrophobicContact CB-CZ2 4.49Å; F631-W729 AromaticContact CD1-CH2 3.58Å; F631-W729 HydrophobicContact CD1-CH2 3.58Å; F631-W729 AromaticContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CD1-CZ3 3.92Å; F631-W729 HydrophobicContact CE1-CH2 4.35Å; F631-W729 HydrophobicContact CE1-CZ3 4.4Å; F631-W729 AromaticContact CG-CH2 3.8Å; F631-W729 HydrophobicContact CG-CH2 3.8Å; Y661-W729 HydrophobicContact CD2-CZ3 4.08Å; F664-W729 HydrophobicContact CD2-CB 3.57Å; F664-W729 HydrophobicContact CE2-CB 3.66Å; F664-W729 HydrophobicContact CG-CB 4.4Å; V726-W729 HydrophobicContact CB-CE3 4.39Å; V726-W729 HydrophobicContact CB-CZ3 4.29Å; V726-W729 HydrophobicContact CG1-CE3 3.91Å; V726-W729 HydrophobicContact CG1-CZ3 3.77Å; V726-W729 HydrophobicContact CG2-CZ3 4.46Å; V727-W729 PolarHBondContact O-N 2.86Å
730F90.8Very high88.6Confident3 Ų354 Ų541%0.01325%0.246CC..Hα-helixtrans-120.50.2176.859.3-80.4000115.2I663 F664 L694 F706 V727 N728 D732 R733 E734I663-F730 HydrophobicContact CB-CE2 4.26Å; I663-F730 HydrophobicContact CB-CZ 3.97Å; I663-F730 HydrophobicContact CG2-CD2 4.15Å; I663-F730 HydrophobicContact CG2-CE2 3.44Å; I663-F730 VanDerWaalsContact CG2-CE2 3.44Å; I663-F730 HydrophobicContact CG2-CZ 3.67Å; F664-F730 HydrophobicContact CB-CD1 3.65Å; F664-F730 HydrophobicContact CB-CE1 4.08Å; F664-F730 HydrophobicContact CB-CG 4.43Å; F664-F730 HydrophobicContact CD2-CB 4.03Å; F664-F730 HydrophobicContact CD2-CD1 4.11Å; F664-F730 HydrophobicContact CG-CD1 4.38Å; L694-F730 HydrophobicContact CD2-CZ 4.36Å; F706-F730 AromaticContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CE2-CE2 3.97Å; F706-F730 HydrophobicContact CZ-CD2 4.23Å; F706-F730 AromaticContact CZ-CE2 3.82Å; F706-F730 HydrophobicContact CZ-CE2 3.82Å; V727-F730 HydrophobicContact CB-CE1 4.27Å; V727-F730 HydrophobicContact CB-CZ 4.26Å; V727-F730 HydrophobicContact CG1-CE1 4.19Å; V727-F730 HydrophobicContact CG1-CE2 4.07Å; V727-F730 HydrophobicContact CG1-CZ 3.83Å; V727-F730 HydrophobicContact CG2-CE1 4.31Å; V727-F730 HydrophobicContact CG2-CZ 4.11Å; V727-F730 WeakPolarHBondContact O-CD1 3.49Å; V727-F730 PolarHBondContact O-N 3.04Å; N728-F730 PolarHBondContact O-N 3.36Å; N728-F730 VanDerWaalsContact O-N 3.13Å; F730-D732 PolarHBondContact O-N 2.98Å; F730-R733 WeakPolarHBondContact O-CA 3.21Å; F730-R733 WeakPolarHBondContact O-CB 3.27Å; F730-R733 PolarHBondContact O-N 2.98Å; F730-E734 HydrophobicContact CD2-CG 3.84Å; F730-E734 HydrophobicContact CE2-CG 4.49Å; F730-E734 PolarHBondContact O-N 2.9Å
731V91Very high89.2Confident7 Ų756.3 Ų56.34%0.04226%0.256CS..Hα-helixtrans-49.7-44.9175158.60000111.9F707 L710 V727 N728 R733 E734 R735F707-V731 HydrophobicContact CE1-CG1 4.3Å; L710-V731 HydrophobicContact CD1-CG2 3.9Å; V727-V731 HydrophobicContact CG1-CG2 4.01Å; V727-V731 WeakPolarHBondContact O-CG2 3.46Å; V727-V731 PolarHBondContact O-N 3.41Å; N728-V731 PolarHBondContact O-N 3.37Å; V731-R733 VanDerWaalsContact C-N 3.31Å; V731-R733 PolarHBondContact O-N 3.37Å; V731-E734 PolarHBondContact O-N 3.48Å; V731-R735 VanDerWaalsContact O-CB 3.23Å; V731-R735 WeakPolarHBondContact O-CB 3.42Å; V731-R735 PolarHBondContact O-N 2.96Å
732D90.3Very high89.6Confident82 Ų8256.2 Ų56.244%0.43925%0.254SS..Hα-helixtrans-72.1-20.2179.8-91.4-23000114.5F730 R735 K736F730-D732 PolarHBondContact O-N 2.98Å; D732-R735 IonicContact OD1-CZ 2.82Å; D732-R735 IonicContact OD1-NH1 3.82Å; D732-R735 PolarHBondContact OD1-NH1 3.47Å; D732-K736 WeakPolarHBondContact O-CD 3.42Å; D732-K736 WeakPolarHBondContact O-CE 3.2Å; D732-K736 WeakPolarHBondContact O-CG 3.47Å; D732-K736 PolarHBondContact O-N 3.14Å
733R91Very high89.9Confident69 Ų6959.9 Ų59.926%0.2627%0.272SS..Hα-helixtrans-73.7-51.8170.2-178.2-172.969.9-156.32.7109.8I663 F664 F730 V731 R735 K736 E737I663-R733 PolarHBondContact O-NH2 3.43Å; F664-R733 PolarHBondContact O-NH1 3.29Å; F730-R733 WeakPolarHBondContact O-CA 3.21Å; F730-R733 WeakPolarHBondContact O-CB 3.27Å; F730-R733 PolarHBondContact O-N 2.98Å; V731-R733 VanDerWaalsContact C-N 3.31Å; V731-R733 PolarHBondContact O-N 3.37Å; R733-R735 VanDerWaalsContact C-N 3.31Å; R733-R735 PolarHBondContact O-N 2.97Å; R733-K736 PolarHBondContact O-N 3.32Å; R733-K736 VanDerWaalsContact O-N 3.1Å; R733-E737 PolarHBondContact O-N 3.01Å
734E90.2Very high89.9Confident10 Ų1066.6 Ų66.65%0.04730%0.301CS..Hα-helixtrans-65-36.5-178.8-56-52.4142.400111.5W698 Y703 F706 F730 V731 K736 E737 A738W698-E734 VanDerWaalsContact CD1-CD 3.47Å; W698-E734 VanDerWaalsContact NE1-CD 3.27Å; W698-E734 PolarHBondContact NE1-OE1 3.35Å; W698-E734 PolarHBondContact NE1-OE2 3.05Å; Y703-E734 HydrophobicContact CE1-CB 4.4Å; F706-E734 HydrophobicContact CD1-CB 4.48Å; F706-E734 HydrophobicContact CE1-CB 3.93Å; F706-E734 HydrophobicContact CE1-CG 4.08Å; F706-E734 HydrophobicContact CE2-CG 4.48Å; F706-E734 HydrophobicContact CZ-CB 4.25Å; F706-E734 HydrophobicContact CZ-CG 3.87Å; F730-E734 HydrophobicContact CD2-CG 3.84Å; F730-E734 HydrophobicContact CE2-CG 4.49Å; F730-E734 PolarHBondContact O-N 2.9Å; V731-E734 PolarHBondContact O-N 3.48Å; E734-K736 VanDerWaalsContact C-N 3.34Å; E734-K736 PolarHBondContact O-N 2.86Å; E734-E737 PolarHBondContact O-N 3.18Å; E734-A738 VanDerWaalsContact O-CB 3.27Å; E734-A738 WeakPolarHBondContact O-CB 3.36Å; E734-A738 PolarHBondContact O-N 2.86Å
735R92Very high89.9Confident105 Ų10566.3 Ų66.340%0.39631%0.306SS..Hα-helixtrans-57.8-42.8170.8-176.4-178.1-75.1156.4-11.7112.1F707 V731 D732 R733 I739F707-R735 HydrophobicContact CZ-CB 4.08Å; V731-R735 VanDerWaalsContact O-CB 3.23Å; V731-R735 WeakPolarHBondContact O-CB 3.42Å; V731-R735 PolarHBondContact O-N 2.96Å; D732-R735 IonicContact OD1-CZ 2.82Å; D732-R735 IonicContact OD1-NH1 3.82Å; D732-R735 PolarHBondContact OD1-NH1 3.47Å; R733-R735 VanDerWaalsContact C-N 3.31Å; R733-R735 PolarHBondContact O-N 2.97Å; R735-I739 HydrophobicContact CG-CD1 4.15Å; R735-I739 WeakPolarHBondContact O-CD1 3.4Å; R735-I739 VanDerWaalsContact O-CG1 3.28Å; R735-I739 WeakPolarHBondContact O-CG1 3.46Å; R735-I739 PolarHBondContact O-N 2.9Å; R735-I739 VanDerWaalsContact O-N 3.12Å
736K91.9Very high89.6Confident135 Ų13570.7 Ų70.759%0.58732%0.321SS*.Hα-helixtrans-70.5-39.5178.3-73.2164.5-167.3158.70112.3D732 R733 E734 R740D732-K736 WeakPolarHBondContact O-CD 3.42Å; D732-K736 WeakPolarHBondContact O-CE 3.2Å; D732-K736 WeakPolarHBondContact O-CG 3.47Å; D732-K736 PolarHBondContact O-N 3.14Å; R733-K736 PolarHBondContact O-N 3.32Å; R733-K736 VanDerWaalsContact O-N 3.1Å; E734-K736 VanDerWaalsContact C-N 3.34Å; E734-K736 PolarHBondContact O-N 2.86Å; K736-R740 VanDerWaalsContact O-CB 3.28Å; K736-R740 WeakPolarHBondContact O-CB 3.46Å; K736-R740 PolarHBondContact O-N 2.76Å
737E89Confident89.2Confident44 Ų4476.5 Ų76.521%0.20636%0.356CS..Hα-helixtrans-71.6-33.5175.2-68.6-55.7125.400112.7R733 E734 R740 L741R733-E737 PolarHBondContact O-N 3.01Å; E734-E737 PolarHBondContact O-N 3.18Å; E737-R740 PolarHBondContact O-N 3.04Å; E737-R740 IonicContact OE1-CZ 2.77Å; E737-R740 IonicContact OE1-NH1 3.84Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 VanDerWaalsContact OE2-CD 3.3Å; E737-R740 WeakPolarHBondContact OE2-CD 3.17Å; E737-R740 IonicContact OE2-NH1 2.77Å; E737-L741 WeakPolarHBondContact O-CB 3.3Å; E737-L741 PolarHBondContact O-N 3Å
738A91.1Very high88.3Confident9 Ų982.3 Ų82.37%0.07439%0.391CS..Hα-helixtrans-59.2-53171.100000111.9Y703 E734 R740 L741 M742Y703-A738 HydrophobicContact CD1-CB 3.67Å; Y703-A738 HydrophobicContact CD2-CB 3.6Å; Y703-A738 HydrophobicContact CE1-CB 4.08Å; Y703-A738 HydrophobicContact CE2-CB 4.02Å; Y703-A738 HydrophobicContact CG-CB 3.4Å; Y703-A738 VanDerWaalsContact CG-CB 3.4Å; E734-A738 VanDerWaalsContact O-CB 3.27Å; E734-A738 WeakPolarHBondContact O-CB 3.36Å; E734-A738 PolarHBondContact O-N 2.86Å; A738-R740 VanDerWaalsContact C-N 3.31Å; A738-R740 PolarHBondContact O-N 3.07Å; A738-L741 PolarHBondContact O-N 3.32Å; A738-L741 VanDerWaalsContact O-N 3.12Å; A738-M742 WeakPolarHBondContact O-CG 3.42Å; A738-M742 PolarHBondContact O-N 3.39Å
739I91.3Very high86.6Confident80 Ų8087.5 Ų87.541%0.4142%0.418SS..Hα-helixtrans-60.8-41.1177.7-69.1166.4000110.7R735 M742 F743R735-I739 HydrophobicContact CG-CD1 4.15Å; R735-I739 WeakPolarHBondContact O-CD1 3.4Å; R735-I739 VanDerWaalsContact O-CG1 3.28Å; R735-I739 WeakPolarHBondContact O-CG1 3.46Å; R735-I739 PolarHBondContact O-N 2.9Å; R735-I739 VanDerWaalsContact O-N 3.12Å; I739-M742 PolarHBondContact O-N 3.28Å; I739-F743 HydrophobicContact CG2-CD2 3.66Å; I739-F743 HydrophobicContact CG2-CE2 3.35Å; I739-F743 HydrophobicContact CG2-CZ 4.34Å; I739-F743 VanDerWaalsContact O-CD2 3.24Å; I739-F743 WeakPolarHBondContact O-CD2 3.32Å; I739-F743 PolarHBondContact O-N 3.03Å
740R90.1Very high86.5Confident119 Ų11989.5 Ų89.545%0.44943%0.43SS..Hα-helixtrans-62.2-39.4173.7167.6175-81.11560.1112.7K736 E737 A738 K744K736-R740 VanDerWaalsContact O-CB 3.28Å; K736-R740 WeakPolarHBondContact O-CB 3.46Å; K736-R740 PolarHBondContact O-N 2.76Å; E737-R740 PolarHBondContact O-N 3.04Å; E737-R740 IonicContact OE1-CZ 2.77Å; E737-R740 IonicContact OE1-NH1 3.84Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 VanDerWaalsContact OE2-CD 3.3Å; E737-R740 WeakPolarHBondContact OE2-CD 3.17Å; E737-R740 IonicContact OE2-NH1 2.77Å; A738-R740 VanDerWaalsContact C-N 3.31Å; A738-R740 PolarHBondContact O-N 3.07Å; R740-K744 WeakPolarHBondContact O-CB 3.31Å; R740-K744 PolarHBondContact O-N 3.26Å
741L88.9Confident86.3Confident77 Ų7794.1 Ų94.140%0.40345%0.452SS..Hα-helixtrans-67.8-44.3176.7-174.963.8000110.8Y703 E737 A738 K744 V745Y703-L741 HydrophobicContact CD2-CD2 4.4Å; Y703-L741 HydrophobicContact CE2-CB 4.28Å; Y703-L741 HydrophobicContact CE2-CD2 3.8Å; E737-L741 WeakPolarHBondContact O-CB 3.3Å; E737-L741 PolarHBondContact O-N 3Å; A738-L741 PolarHBondContact O-N 3.32Å; A738-L741 VanDerWaalsContact O-N 3.12Å; L741-K744 PolarHBondContact O-N 3.47Å; L741-K744 VanDerWaalsContact O-N 3.15Å; L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.92Å
742M87.8Confident86Confident109 Ų10998.9 Ų98.954%0.53747%0.474SS..Hα-helixtrans-56.4-53.1175.2-68.7173.269.600111.1A738 I739 K744 V745 Y746A738-M742 WeakPolarHBondContact O-CG 3.42Å; A738-M742 PolarHBondContact O-N 3.39Å; I739-M742 PolarHBondContact O-N 3.28Å; M742-K744 VanDerWaalsContact C-N 3.27Å; M742-K744 PolarHBondContact O-N 3.11Å; M742-V745 PolarHBondContact O-N 3.15Å; M742-Y746 HydrophobicContact CB-CE2 4.46Å; M742-Y746 WeakPolarHBondContact O-CD2 3.23Å; M742-Y746 PolarHBondContact O-N 3.24Å
743F89.9Confident85.8Confident142 Ų14299.9 Ų99.962%0.62348%0.477SS*.Hα-helixtrans-60.1-34.4176.2-73.9-50.9000113.2I739 V745 Y746 V747I739-F743 HydrophobicContact CG2-CD2 3.66Å; I739-F743 HydrophobicContact CG2-CE2 3.35Å; I739-F743 HydrophobicContact CG2-CZ 4.34Å; I739-F743 VanDerWaalsContact O-CD2 3.24Å; I739-F743 WeakPolarHBondContact O-CD2 3.32Å; I739-F743 PolarHBondContact O-N 3.03Å; F743-V745 VanDerWaalsContact C-N 3.32Å; F743-V745 PolarHBondContact O-N 3Å; F743-Y746 PolarHBondContact O-N 2.95Å; F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.95Å
744K88.3Confident85.4Confident140 Ų140101.8 Ų101.861%0.60949%0.49SS*.Hα-helixtrans-67.5-32176-171-178.3176.5-168.90112.4R740 L741 M742 V748R740-K744 WeakPolarHBondContact O-CB 3.31Å; R740-K744 PolarHBondContact O-N 3.26Å; L741-K744 PolarHBondContact O-N 3.47Å; L741-K744 VanDerWaalsContact O-N 3.15Å; M742-K744 VanDerWaalsContact C-N 3.27Å; M742-K744 PolarHBondContact O-N 3.11Å; K744-V748 WeakPolarHBondContact O-CG2 3.26Å
745V88Confident85.1Confident73 Ų73107.9 Ų107.944%0.44252%0.52SS..Hα-helixtrans-72.5-45.2173.4174.30000110.6L741 M742 F743 V747 V748 L749L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.92Å; M742-V745 PolarHBondContact O-N 3.15Å; F743-V745 VanDerWaalsContact C-N 3.32Å; F743-V745 PolarHBondContact O-N 3Å; V745-V747 PolarHBondContact O-N 3.37Å; V745-V748 PolarHBondContact O-N 3.29Å; V745-L749 HydrophobicContact CG1-CD1 3.74Å; V745-L749 HydrophobicContact CG1-CG 4.15Å; V745-L749 PolarHBondContact O-N 2.89Å
746Y80.9Confident84.6Confident160 Ų160108.1 Ų108.163%0.62753%0.528SS*.THydrogen-bonded Turntrans-65.9-2176.8-73.6-63.4000115.9M742 F743M742-Y746 HydrophobicContact CB-CE2 4.46Å; M742-Y746 WeakPolarHBondContact O-CD2 3.23Å; M742-Y746 PolarHBondContact O-N 3.24Å; F743-Y746 PolarHBondContact O-N 2.95Å
747V81.4Confident84.1Confident122 Ų122106.1 Ų106.174%0.73952%0.524SS*.THydrogen-bonded Turntrans-112.5-1.4174.4174.20000111.5F743 V745F743-V747 WeakPolarHBondContact O-CG2 3.37Å; F743-V747 PolarHBondContact O-N 2.95Å; V745-V747 PolarHBondContact O-N 3.37Å
748V71.5Confident83.7Confident121 Ų121111.3 Ų111.373%0.73355%0.551SS**THydrogen-bonded Turntrans-115.6-15.9177.7174.30000111.7K744 V745K744-V748 WeakPolarHBondContact O-CG2 3.26Å; V745-V748 PolarHBondContact O-N 3.29Å
749L54.8Low83Confident183 Ų183120.5 Ų120.596%0.95859%0.594SS**  trans-89.50161.6-61.7176000110.1V745V745-L749 HydrophobicContact CG1-CD1 3.74Å; V745-L749 HydrophobicContact CG1-CG 4.15Å; V745-L749 PolarHBondContact O-N 2.89Å

Retrieved 749 of 749 residues in 136.4 ms (Link to these results)