A0A087XK42_POEFO Loading...

TSC22 domain family member 2

AlphaFold DB , UniProt , Accession A0A087XK42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 719 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
1M42Very low54.2Low245 Ų245161.3 Ų161.3100%1.20786%0.859SS**  0131.20-63.6167.377.400107.9
2S52.9Low54.3Low117 Ų117162.8 Ų162.882%0.81885%0.853SS**  trans-79.9131-177.7-1690000111.3M4S2-M4 PolarHBondContact O-N 3.49Å
3K54.9Low54.7Low206 Ų206163.8 Ų163.890%0.89685%0.85SS**  trans-85.697.2170.9-91.4-173.2174.2179.20109.2
4M54.3Low55.6Low166 Ų166162.1 Ų162.182%0.81884%0.841SS**PPolyproline II helixtrans-62.6138.4165.5-69.3173.764.200110.1S2 A6S2-M4 PolarHBondContact O-N 3.49Å; M4-A6 PolarHBondContact O-N 2.84Å
5P51.5Low56.1Low124 Ų124160 Ų16081%0.80584%0.838SS**PPolyproline II helixtrans-67.1127.1173.727.6-33.2000110K7P5-K7 PolarHBondContact O-N 3.29Å
6A53.8Low56.3Low99 Ų99155.3 Ų155.382%0.81882%0.823SS**PPolyproline II helixtrans-67.8125.3-179.600000110.8M4 K8M4-A6 PolarHBondContact O-N 2.84Å; A6-K8 PolarHBondContact O-N 3.44Å; A6-K8 VanDerWaalsContact O-N 3.13Å
7K52.7Low56.2Low205 Ų205153.8 Ų153.889%0.89182%0.821SS**PPolyproline II helixtrans-57.9118.3172.4-76.5-176.8174.71790109.4P5 K9P5-K7 PolarHBondContact O-N 3.29Å; K7-K9 PolarHBondContact O-N 3.05Å
8K60.8Low56.2Low210 Ų210152.4 Ų152.491%0.91382%0.819SS**  trans-60.6106165.8-103.4-175.2173.2-179.10107.9A6 S10A6-K8 PolarHBondContact O-N 3.44Å; A6-K8 VanDerWaalsContact O-N 3.13Å; K8-S10 PolarHBondContact O-N 2.91Å
9K61Low56Low191 Ų191153.7 Ų153.783%0.8382%0.82SS**  trans-58.8133.6168.351.5172.9179.2-78.50109.2K7 C11K7-K9 PolarHBondContact O-N 3.05Å; K9-C11 PolarHBondContact O-N 3.05Å
10S59Low55.6Low105 Ų105150.8 Ų150.873%0.73482%0.818SS**  trans-60.2131.1172.7-173.90000108.8K8K8-S10 PolarHBondContact O-N 2.91Å
11C53.3Low55.1Low106 Ų106152.6 Ų152.672%0.71682%0.821SS**  trans-95.710.3-173.956.80000113.8K9K9-C11 PolarHBondContact O-N 3.05Å
12F55.1Low55.2Low180 Ų180147.4 Ų147.479%0.78980%0.803SS**  trans-122.2125.8177.9-63.9-73.6000110.3
13Q60.1Low54.5Low175 Ų175146.4 Ų146.482%0.81880%0.802SS**  trans-121.1118.4178.7-178.8171.1-6.200107.6T15Q13-T15 PolarHBondContact O-N 3.29Å
14I67.3Low54.1Low141 Ų141141.4 Ų141.472%0.72380%0.799SS**  trans-74.4110.3174.3-59.2175.6000106.5S16 V17I14-S16 WeakPolarHBondContact CG2-O 3.3Å; I14-V17 HydrophobicContact CG2-CG2 3.63Å
15T63.3Low53.4Low130 Ų130140.3 Ų140.380%0.79880%0.801SS**  trans-76.9-23.2-173.249.70000113.4Q13Q13-T15 PolarHBondContact O-N 3.29Å
16S58.4Low52.7Low85 Ų85137.6 Ų137.659%0.59480%0.796SS**  trans-162.1151.7175.449.80000110.7I14I14-S16 WeakPolarHBondContact CG2-O 3.3Å
17V55.4Low52Low129 Ų129137.6 Ų137.678%0.78280%0.795SS**  trans-133.3108.5163.8-179.70000106.7I14I14-V17 HydrophobicContact CG2-CG2 3.63Å
18T56.2Low51.7Low130 Ų130132.3 Ų132.380%0.79879%0.79SS**  trans-100.6107.2173.347.60000108.8
19Q52.2Low50.8Low177 Ų177129.7 Ų129.783%0.82779%0.786SS**  trans-64.9134.5163.9-172.6172.38.200108.3Q21Q19-Q21 PolarHBondContact O-N 3.31Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å
20A47.6Very low50.3Low95 Ų95127.6 Ų127.679%0.78578%0.784SS**  trans-67.6111.1174.600000108.8V22A20-V22 PolarHBondContact O-N 3.32Å
21Q44.5Very low49.8Very low188 Ų188127.5 Ų127.588%0.87978%0.779SS**  trans-75.6119.6176.1-70.2177.1-30.700109Q19 A23Q19-Q21 PolarHBondContact O-N 3.31Å; Q19-Q21 VanDerWaalsContact O-N 3.12Å; Q21-A23 PolarHBondContact O-N 3.36Å
22V45.8Very low49.4Very low137 Ų137130.8 Ų130.883%0.8378%0.784SS**  trans-64.6131.1164175.30000107.5A20 A24A20-V22 PolarHBondContact O-N 3.32Å; V22-A24 PolarHBondContact O-N 2.95Å
23A37.7Very low49.1Very low96 Ų96126.9 Ų126.979%0.79378%0.779SS**  trans-72.3101.2-174.100000111.4Q21Q21-A23 PolarHBondContact O-N 3.36Å
24A46Very low48.6Very low100 Ų100125.8 Ų125.883%0.82678%0.778SS**  trans-101.3118.616400000109V22V22-A24 PolarHBondContact O-N 2.95Å
25V40.2Very low48Very low143 Ų143126.5 Ų126.587%0.86778%0.783SS**  trans-101.5129.5174.6-177.70000107.7
26G36.9Very low47.7Very low68 Ų68127 Ų12770%0.70178%0.781SS**  trans-98.2-160.6174.100000112.3
27A38.9Very low47.6Very low98 Ų98128 Ų12881%0.8179%0.785SS**  cis-166.4154.4-5.100000110.3
28A45.4Very low47.4Very low94 Ų94127.9 Ų127.978%0.77778%0.781SS**  trans67160.6161.700000119.2
29D42.2Very low47.2Very low156 Ų156131.1 Ų131.183%0.83479%0.786SS**  trans51121.4-175.5-67.4-152.1000115.8
30D51.9Low47.3Very low147 Ų147127.1 Ų127.179%0.78678%0.778SS**  cis86.9142.939.6-147.4-25.2000113.1
31T47.8Very low47.3Very low102 Ų102132 Ų13263%0.62678%0.776SS**  trans61.9140.5-16779.80000119.3
32E45.6Very low47.7Very low176 Ų176129.8 Ų129.882%0.82278%0.775SS**  trans48.4154.1154.975-149.191.600122
33S48Very low48Very low98 Ų98129.2 Ų129.269%0.68576%0.764SS**  cis-170.8150.7-24.4168.10000107.9
34L48.7Very low48.5Very low152 Ų152130.9 Ų130.980%0.79676%0.759SS**  trans36.1117.6160-86.1156.1000119.9
35D55Low48.7Very low155 Ų155135.4 Ų135.483%0.82977%0.766SS**  -161.3152.8100.7-135.4-138.3000111.3
36D57.8Low49Very low140 Ų140132.8 Ų132.875%0.74975%0.754SS**  trans-152.4120.9-177.5-179.3-9.3000110.4D38D36-D38 PolarHBondContact OD1-N 2.99Å
37P55.6Low49.4Very low106 Ų106135.6 Ų135.669%0.68876%0.763SS**  trans-128.192.6163.835.4-19.5000113.4E39P37-E39 PolarHBondContact O-N 2.98Å
38D51.5Low49.8Very low128 Ų128140.3 Ų140.368%0.68477%0.768SS**  trans11.995.4138.8-170.3-13.8000116.4D36 S40D36-D38 PolarHBondContact OD1-N 2.99Å; D38-S40 WeakPolarHBondContact OD1-CB 3.37Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.34Å
39E52.5Low50.1Low197 Ų197142.6 Ų142.692%0.92177%0.766SS**  trans-10790.6161.3-73.6-151.3118.500110.7P37P37-E39 PolarHBondContact O-N 2.98Å
40S53.2Low50.1Low93 Ų93145.1 Ų145.165%0.6577%0.765SS**  trans-81129-18011.70000112.3D38D38-S40 WeakPolarHBondContact OD1-CB 3.37Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.34Å
41R48.6Very low49.4Very low199 Ų199144.6 Ų144.675%0.75176%0.762SS**  trans-132.590.5167.5-112.1-177.7179.1-123.4-20.2113.2E43R41-E43 HydrophobicContact CG-CG 4.41Å; R41-E43 IonicContact CZ-OE1 2.95Å; R41-E43 IonicContact CZ-OE2 3.62Å; R41-E43 IonicContact NE-OE1 3.67Å; R41-E43 IonicContact NE-OE2 3.78Å; R41-E43 IonicContact NH1-OE1 2.62Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 IonicContact NH1-OE2 3.15Å; R41-E43 PolarHBondContact NH1-OE2 2.83Å; R41-E43 IonicContact NH2-OE1 2.75Å; R41-E43 PolarHBondContact NH2-OE1 3.44Å; R41-E43 IonicContact NH2-OE2 3.04Å
42T51.9Low48.8Very low140 Ų140146.6 Ų146.686%0.85977%0.774SS**  trans-85.499.4161.350.50000109.3
43E53Low48.7Very low125 Ų125143.3 Ų143.358%0.58477%0.77SS**  trans-123.477175.9-73.6-179144.100111.2R41R41-E43 HydrophobicContact CG-CG 4.41Å; R41-E43 IonicContact CZ-OE1 2.95Å; R41-E43 IonicContact CZ-OE2 3.62Å; R41-E43 IonicContact NE-OE1 3.67Å; R41-E43 IonicContact NE-OE2 3.78Å; R41-E43 IonicContact NH1-OE1 2.62Å; R41-E43 PolarHBondContact NH1-OE1 2.78Å; R41-E43 IonicContact NH1-OE2 3.15Å; R41-E43 PolarHBondContact NH1-OE2 2.83Å; R41-E43 IonicContact NH2-OE1 2.75Å; R41-E43 PolarHBondContact NH2-OE1 3.44Å; R41-E43 IonicContact NH2-OE2 3.04Å
44D48.5Very low48Very low131 Ų131149.8 Ų149.870%0.70178%0.78SS**  trans42.5105.5131.8-137.3-45.4000119.8S46D44-S46 PolarHBondContact O-N 3.47Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.05Å
45M48.4Very low47.3Very low196 Ų196146 Ų14697%0.96677%0.77SS**  trans-97.357166.9-173.513366.300111.6
46S46.8Very low46.3Very low88 Ų88146.8 Ų146.862%0.61577%0.769SS**  trans-131.784.1179.2-40.60000112.8D44D44-S46 PolarHBondContact O-N 3.47Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.05Å
47S45.3Very low44.9Very low126 Ų126150 Ų15088%0.88177%0.772SS**  trans179.587.6150.7-83.30000113.1
48E47.5Very low43.9Very low198 Ų198151.9 Ų151.993%0.92577%0.772SS**  trans-150.871.9150.4-167.7140.3-136.600110.1
49I51.3Low43.5Very low142 Ų142150.7 Ų150.773%0.72877%0.771SS**  trans-143.1128.9173.1-170.267.6000108.5
50Y43.4Very low42.5Very low209 Ų209144.3 Ų144.382%0.8275%0.752SS**  trans65.5139.2-160.9-56.3-90.3000113
51D37.5Very low41.4Very low135 Ų135145.7 Ų145.772%0.72276%0.761SS**  cis-141.4119.226.817719.9000113.7S53D51-S53 PolarHBondContact OD1-N 3.24Å
52V35.3Very low40.6Very low144 Ų144142.6 Ų142.687%0.87375%0.754SS**  trans-147.374.1160.9-1710000109.6
53S42.8Very low39.7Very low107 Ų107145.1 Ų145.175%0.74875%0.748SS**  trans-154.154.3174.7-83.60000116.7D51D51-S53 PolarHBondContact OD1-N 3.24Å
54R34.2Very low38.5Very low234 Ų234144.4 Ų144.488%0.88376%0.757SS**  trans-169.7148.2153-110.2-171.6156.1872.9110.2
55A33.7Very low37.7Very low73 Ų73142.6 Ų142.660%0.60376%0.755SS**  cis-153149.6-6.400000111.3
56E34.2Very low37.4Very low171 Ų171138.4 Ų138.480%0.79975%0.745SS**  47100124.3-169.5173.5-163.100119.5
57Y28.1Very low36.9Very low208 Ų208140.7 Ų140.782%0.81675%0.75SS**  -167.8143.4110.2-153.2-113.5000111.8P59Y57-P59 HydrophobicContact CE1-CG 4.29Å
58E35Very low36.4Very low145 Ų145142.4 Ų142.468%0.67874%0.744SS**  trans-129.2140.2170.7-137.6-82.8141.900106.2A60E58-A60 VanDerWaalsContact CD-N 3.33Å; E58-A60 PolarHBondContact OE1-N 3.21Å; E58-A60 PolarHBondContact OE2-N 3.46Å
59P41.8Very low36Very low103 Ų103137 Ų13767%0.66973%0.733SS**  -144138.6116.235.3-20.6000114.8Y57Y57-P59 HydrophobicContact CE1-CG 4.29Å
60A32.3Very low35.6Very low64 Ų64139 Ų13953%0.52974%0.744SS.*  trans-62.1-172.9166.100000114.3E58E58-A60 VanDerWaalsContact CD-N 3.33Å; E58-A60 PolarHBondContact OE1-N 3.21Å; E58-A60 PolarHBondContact OE2-N 3.46Å
61C29.7Very low35.1Very low122 Ų122135.8 Ų135.882%0.82474%0.741SS**  trans77.5138.7168.5-70.30000115.7
62E31.8Very low35.1Very low133 Ų133135.7 Ų135.762%0.62174%0.741SS**  cis-146.5160.510.2-80.5-149.3134.800114.8
63R32.3Very low35Very low193 Ų193135 Ų13573%0.72874%0.737SS**  trans57.4133.8137.3-78-177169106.611.5123.4
64S29.8Very low34.6Very low111 Ų111133.1 Ų133.178%0.77673%0.734SS**  trans75155.2132.9-69.60000119.9
65S31.6Very low34.3Very low93 Ų93131 Ų13165%0.6573%0.734SS**  cis-178.2157.5-19.9173.50000108.9
66S40.4Very low34.3Very low107 Ų107132 Ų13275%0.74874%0.743SS**  trans63.4162.3149.339.50000119.6
67D37.2Very low34Very low137 Ų137133.5 Ų133.573%0.73375%0.75SS**  cis-172.1-175.1-26.9-169.8-162.7000108.6
68E35.6Very low34.2Very low162 Ų162127.3 Ų127.376%0.75774%0.742SS**  trans4.3117.4164.7-75-161.265.100118.9
69A38.1Very low34.6Very low84 Ų84126.4 Ų126.469%0.69475%0.749SS**  79.5126.271.500000115.2
70L42.9Very low34Very low183 Ų183125.8 Ų125.896%0.95875%0.752SS**  trans-139.3134.4164.4-81.3-178.2000112.4
71N33.7Very low33.9Very low142 Ų142130.3 Ų130.376%0.75977%0.767SS**  trans-87.5171.3171.1-135.8-27.5000108.1
72N36.2Very low34Very low133 Ų133128.5 Ų128.571%0.71176%0.761SS**  cis-166.7-165.811.7-161.3-12.6000109.2
73V34Very low35.1Very low130 Ų130127.8 Ų127.879%0.78877%0.768SS**  trans80.1130.5173.6-171.80000112.6
74G33.5Very low34.9Very low67 Ų67127.8 Ų127.869%0.69178%0.776SS**  cis118.5138.219.700000107.8
75E27.8Very low34.9Very low189 Ų189126.6 Ų126.688%0.88377%0.773SS**  cis-126.1160.416-72.7154.583.700109.4
76A34.8Very low34.9Very low96 Ų96128.4 Ų128.479%0.79378%0.78SS**  cis87.38233.900000116.2
77E27.7Very low35.1Very low202 Ų202129.2 Ų129.294%0.94478%0.783SS**  trans-145.8157.3142-140.8-175.6124.200111.6
78A32.3Very low35.9Very low77 Ų77128.2 Ų128.264%0.63678%0.784SS**  trans-145.5-167-178.800000106.9
79P42.8Very low36.1Very low127 Ų127126.6 Ų126.683%0.82579%0.787SS**  cis-112.7-160.7-1440.6-23.6000109.8
80A29.4Very low35.6Very low89 Ų89125.8 Ų125.874%0.73679%0.787SS**  cis-156-178.910.600000107.6
81N30.4Very low35.8Very low160 Ų160123.4 Ų123.486%0.85678%0.783SS**  cis-147.2164.95.7-165.414.5000110
82A32.6Very low35.6Very low84 Ų84120.6 Ų120.669%0.69479%0.788SS**  trans-99.2178.5-17000000113.9
83P54.6Low35.3Very low118 Ų118117.5 Ų117.577%0.76679%0.787SS**  trans-111.8-178.9-150.143-39.1000115.9
84Q28.5Very low35.2Very low193 Ų193118 Ų11890%0.90279%0.786SS**  trans162.2158.7149.8-94.7-176.26.100109.7
85A29.3Very low35.1Very low86 Ų86120.1 Ų120.171%0.71179%0.785SS**  cis-160.3170.2-13.700000111.5
86T31.1Very low35.3Very low131 Ų131117.1 Ų117.180%0.80478%0.78SS**  trans-61.4158.9165.722.50000113.2
87P45.1Very low35Very low124 Ų124119.9 Ų119.981%0.80578%0.776SS**  -146.2173.466.335.3-12.8000117.8
88P52.8Low35.1Very low115 Ų115117.1 Ų117.175%0.74777%0.767SS**  trans-94.2-179.1-178.641.1-38.1000113.2
89P40.3Very low35Very low128 Ų128124.7 Ų124.783%0.83178%0.779SS**  -151.5175.195.541.7-25.3000116.5
90G27.6Very low34.4Very low67 Ų67128 Ų12869%0.69178%0.781SS**  trans-136.8-167.9146.400000108.6
91P46.8Very low34.5Very low133 Ų133130.1 Ų130.186%0.86478%0.784SS**  cis-132.3176.4-5.742-27000114.8
92G30.5Very low34.4Very low84 Ų84127.2 Ų127.287%0.86678%0.782SS**  trans87.2173.4151.200000118.9
93G29.4Very low34.2Very low68 Ų68127 Ų12770%0.70179%0.789SS**  trans111.252.9157.600000119.9
94N31Very low33.1Very low141 Ų141127.6 Ų127.675%0.75480%0.795SS**  trans14.3141.3148.665.1-56.4000124.2
95T32.1Very low33.2Very low111 Ų111121.3 Ų121.368%0.68178%0.783SS**  trans86.9117.8137.239.20000124.3
96T32.2Very low33.3Very low125 Ų125123.1 Ų123.177%0.76779%0.79SS**  trans82123.713646.10000124.5
97E29.2Very low33.5Very low154 Ų154122.4 Ų122.472%0.7279%0.785SS**  trans79107.9133.9-66.7-78.781.700122.6
98L30.2Very low32.9Very low145 Ų145125.4 Ų125.476%0.75979%0.788SS**  trans42.6119133.3-60.9172.1000121.4
99R30Very low31.8Very low236 Ų236123.7 Ų123.789%0.89179%0.791SS**  168.8106.2107.7-177.4172.1-67-158.5-0.4116.9
100K30Very low31.2Very low195 Ų195121.3 Ų121.385%0.84879%0.79SS**  trans36.3119.2130.2-175.6-172.4178.3179.70122.2
101V30.3Very low31.5Very low135 Ų135126.2 Ų126.282%0.81880%0.795SS**  trans-162.1117.5142.1137.30000106.1
102A28.1Very low30.8Very low98 Ų98126.2 Ų126.281%0.8179%0.788SS**  62129.580.700000114.6
103G29.6Very low30.8Very low80 Ų80130.5 Ų130.583%0.82579%0.785SS**  cis-145.9-159.3-5.800000109.5
104S31.3Very low31Very low130 Ų130135.5 Ų135.591%0.90980%0.795SS**  cis-162.9152.75.3-176.40000107.9
105G29.6Very low30.9Very low62 Ų62132.5 Ų132.564%0.63980%0.797SS**  cis166.8-171.8-2.500000112
106S31.6Very low30.9Very low123 Ų123134.9 Ų134.986%0.8680%0.804SS**  trans70.2142162.5-89.80000118.9
107V35.6Very low30.7Very low116 Ų116134.8 Ų134.870%0.70380%0.804SS**  cis-144.2136.55.1-177.40000110.3
108H33.2Very low31.3Very low188 Ų188133.1 Ų133.187%0.8781%0.806SS**  trans18.9148.7155.7-52.167.3000122.9
109G29.2Very low31.3Very low78 Ų78132.3 Ų132.380%0.80481%0.808SS**  cis153.4141.1-7.500000115.5
110G28.8Very low31.9Very low78 Ų78127 Ų12780%0.80480%0.804SS**  trans87.5160.316500000117.9
111Q32.9Very low31.8Very low171 Ų171121.6 Ų121.680%0.79980%0.803SS**  cis-170.4129.1-24.2-141.4-175.35.700111.5
112N31.2Very low31.9Very low133 Ų133123.1 Ų123.171%0.71181%0.806SS**  trans55.5167.3153.4-62.1-2.6000118.9
113Q31.9Very low32.6Very low173 Ų173123.9 Ų123.981%0.80880%0.802SS**  cis-148.6178.3-2.1-139.5174.8125.400110.4
114L33.3Very low32.5Very low173 Ų173127.1 Ų127.191%0.90680%0.8SS**  trans-77.9152.2178-65.679.9000112.6
115G28.6Very low32.5Very low79 Ų79129.2 Ų129.281%0.81480%0.797SS**  trans-153.5121.417600000113.4
116I31.5Very low32.7Very low161 Ų161132 Ų13283%0.82680%0.802SS**  trans-83.2151.6-174.946173.7000114.2
117T28.1Very low33.5Very low123 Ų123131.4 Ų131.476%0.75580%0.795SS**  trans-5.1157.6152.657.60000120.8
118P43.3Very low33.3Very low118 Ų118132 Ų13277%0.76681%0.805SS**  cis-138.1-161.60.636.7-13.6000115.5
119T29.4Very low33.3Very low129 Ų129127 Ų12779%0.79180%0.803SS**  trans-60.2177.9165.220.20000115.3
120P42.6Very low33.4Very low125 Ų125126.6 Ų126.681%0.81280%0.799SS**  cis-131.2179.5-8.938.5-21.6000115
121G27.7Very low33.7Very low80 Ų80129.5 Ų129.583%0.82580%0.802SS**  trans169.2111.9162.100000117.5
122L33.3Very low33.7Very low168 Ų168129.2 Ų129.288%0.8880%0.8SS**  trans-94.4157.7159.1-91170.4000108.1
123P42.6Very low33.8Very low114 Ų114130.3 Ų130.374%0.7480%0.801SS**  -156.3177.455.844.8-24.1000119.6
124L26.1Very low33.7Very low147 Ų147130.4 Ų130.477%0.7780%0.801SS**  trans57.1115.9142-171.667.9000120.3
125M31.2Very low33.7Very low175 Ų175129.4 Ų129.486%0.86280%0.796SS**  -168.9140.2110.7-98.1179.488.500111.3
126T35.3Very low34.7Very low120 Ų120131.1 Ų131.174%0.73679%0.792SS**  trans-106.7168.6163.959.50000108.8
127P47.8Very low34.6Very low111 Ų111127.1 Ų127.172%0.72178%0.784SS**  -153168.992.840.1-22.5000116.8
128S32.3Very low34.7Very low128 Ų128129.1 Ų129.190%0.89579%0.788SS**  trans65.9142.7156.6-57.30000119.9
129G32.3Very low34.1Very low82 Ų82128 Ų12885%0.84579%0.789SS**  cis161.6143.3-8.600000113.1
130G30.8Very low34.2Very low70 Ų70127.3 Ų127.372%0.72279%0.789SS**  trans127.389-179.400000113.8
131V35.3Very low34.8Very low140 Ų140127.2 Ų127.285%0.84879%0.788SS**  38.1132.371.8-74.20000114.7
132Q32.7Very low34.8Very low165 Ų165128.5 Ų128.577%0.77179%0.785SS**  cis-153171.717.3-93.5-131.82.200108.4
133H34.7Very low34.7Very low156 Ų156127.1 Ų127.172%0.72278%0.783SS**  cis175.4163.2-19.4-145.1151.9000106.5
134Q29.8Very low34.1Very low174 Ų174127.3 Ų127.381%0.81379%0.787SS**  trans89.6133.4147.7-162.1157.712.900123
135L31.8Very low34.4Very low153 Ų153125 Ų12580%0.80179%0.789SS**  trans-101.7167.2168.4-98.581000109.3
136P50.4Low34.2Very low114 Ų114124.1 Ų124.174%0.7479%0.788SS**  cis-159.3-176.544.745.1-22.7000120.1
137A30.4Very low34.2Very low78 Ų78123.7 Ų123.765%0.64579%0.785SS**  trans78.1126.3135.800000124.8
138I29.5Very low33.4Very low165 Ų165123.8 Ų123.885%0.84679%0.789SS**  trans86.1139.9135.7-68.9165.7000121
139A30.5Very low33.6Very low94 Ų94126.6 Ų126.678%0.77779%0.788SS**  trans73.5123160.600000121.8
140S30.7Very low34.4Very low114 Ų114128.3 Ų128.380%0.79778%0.784SS**  trans-93.6-171.4154.8-20.60000109.6
141P55.9Low34.2Very low123 Ų123129.8 Ų129.880%0.79979%0.789SS**  cis-129.3167.1-21.738.6-24.5000113
142S27.4Very low34Very low107 Ų107128.4 Ų128.475%0.74879%0.793SS**  trans-161.6146.4156.1-152.90000115.6
143V31.2Very low33.9Very low140 Ų140124 Ų12485%0.84879%0.791SS**  trans39.3145160.6-65.40000123.1
144S30.2Very low33.9Very low118 Ų118122.3 Ų122.383%0.82580%0.797SS**  trans-109.6163.8177.9-57.40000113
145A32.8Very low34Very low98 Ų98119.6 Ų119.681%0.8180%0.798SS**  trans68.694.7144.300000120.2
146N27.5Very low34Very low156 Ų156117.8 Ų117.883%0.83480%0.797SS**  trans-159144.5140-133.815.4000106.5
147T33.6Very low33.7Very low111 Ų111116.7 Ų116.768%0.68180%0.798SS**  cis-160.4177-11.8-137.10000109.4
148S30.9Very low33.8Very low114 Ų114118.9 Ų118.980%0.79780%0.804SS**  trans73.3126.6166.2-72.10000121.3
149Q37.3Very low34.2Very low186 Ų186116.5 Ų116.587%0.86980%0.802SS**  trans-74179.5147.9-87.7-175.2-24.200110.3
150P48.1Very low34.4Very low118 Ų118117.9 Ų117.977%0.76680%0.801SS**  cis-144.4-15822.245.1-24.2000116.2
151A28.1Very low35.3Very low101 Ų101119.2 Ų119.284%0.83580%0.804SS**  trans80.5106.4163.300000118
152A30.6Very low34.4Very low112 Ų112118.3 Ų118.393%0.92680%0.8SS**  trans-141.7128.1156.400000108.5
153G31.3Very low34.9Very low71 Ų71119.1 Ų119.173%0.73281%0.805SS**  trans-129.8141.417200000109.7
154S33Very low35.7Very low121 Ų121118.9 Ų118.985%0.84681%0.809SS**  trans48.9104.4167.2-59.60000118.4
155S32Very low37.3Very low118 Ų118116.5 Ų116.583%0.82579%0.793SS**  -176.8147.7111.241.10000114.2
156S33.1Very low38.8Very low114 Ų114123.1 Ų123.180%0.79780%0.797SS**  trans47127.5155-146.40000121.2
157A43.1Very low40.6Very low92 Ų92124.5 Ų124.576%0.7680%0.795SS**  trans-78.5134.4165.500000111.4
158T32.7Very low42.9Very low123 Ų123129.8 Ų129.876%0.75580%0.803SS**  trans-108.1100.3168.241.30000110.3T160T158-T160 PolarHBondContact O-N 3.06Å
159S37.8Very low45.1Very low116 Ų116131.5 Ų131.581%0.81181%0.808SS**  trans-70.985.4178.2-63.50000111.7V161S159-V161 PolarHBondContact O-N 2.79Å
160T35.4Very low46.9Very low123 Ų123129.3 Ų129.376%0.75580%0.801SS**  trans-72.794.5173.456.50000110.6T158 S162T158-T160 PolarHBondContact O-N 3.06Å; T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.15Å
161V49.8Very low48.3Very low142 Ų142130.4 Ų130.486%0.86179%0.794SS**  trans-59.8112.5170.1-94.70000110.3S159S159-V161 PolarHBondContact O-N 2.79Å
162S37Very low50.6Low104 Ų104130.5 Ų130.573%0.72778%0.78SS**  trans-161.5137173.4-81.10000111.4T160T160-S162 PolarHBondContact O-N 2.76Å; T160-S162 VanDerWaalsContact O-N 3.15Å
163C38.3Very low52.4Low124 Ų124131.2 Ų131.284%0.83877%0.768SS**  trans61108.1171.8-58.10000116.7S165C163-S165 VanDerWaalsContact C-N 3.27Å; C163-S165 PolarHBondContact O-N 3.4Å
164S46.2Very low54Low134 Ų134133.3 Ų133.394%0.93776%0.758SS**  trans-71.676.2171.2-168.80000112
165S64.2Low55.2Low69 Ų69131.2 Ų131.248%0.48376%0.756SS.*  trans-96.7120.1168.7176.80000109.8C163 F167C163-S165 VanDerWaalsContact C-N 3.27Å; C163-S165 PolarHBondContact O-N 3.4Å; S165-F167 PolarHBondContact O-N 3.46Å; S165-F167 PolarHBondContact OG-N 3.38Å; S165-F167 VanDerWaalsContact OG-N 3.15Å; S165-F167 PolarHBondContact OG-O 3.04Å
166R65.9Low56.5Low237 Ų237130.8 Ų130.889%0.89475%0.749SS**SBendtrans-67.2-19.1168.6-62-159.9-61.5175.20.9112.4R168R166-R168 PolarHBondContact O-N 2.87Å
167F65.4Low57.7Low184 Ų184129.3 Ų129.381%0.80775%0.752SS**  trans-83108.7175.4-58-77.5000110.4S165S165-F167 PolarHBondContact O-N 3.46Å; S165-F167 PolarHBondContact OG-N 3.38Å; S165-F167 VanDerWaalsContact OG-N 3.15Å; S165-F167 PolarHBondContact OG-O 3.04Å
168R80.3Confident58.4Low222 Ų222129.8 Ų129.884%0.83874%0.738SS**  trans-97.9127.3165.3-62-175.1-179.4-157.60.7108.4R166 I170R166-R168 PolarHBondContact O-N 2.87Å; R168-I170 PolarHBondContact O-N 2.87Å
169V78.6Confident60.1Low151 Ų151128.6 Ų128.692%0.91573%0.732SS**  trans-79.6101.5172.7-179.70000107.9
170I73.6Confident61.6Low140 Ų140129.7 Ų129.772%0.71872%0.723SS**  trans-85.8121.1175.2-58.4175.7000107.9R168 L172R168-I170 PolarHBondContact O-N 2.87Å; I170-L172 PolarHBondContact O-N 3.16Å
171K77.9Confident63.2Low140 Ų140132.4 Ų132.461%0.60972%0.719SS**  trans-82.4106.7169.6-167.2-149.174.4-179.50107.8D173K171-D173 WeakPolarHBondContact CE-OD1 3.39Å; K171-D173 IonicContact NZ-OD1 2.63Å; K171-D173 PolarHBondContact NZ-OD1 2.81Å; K171-D173 IonicContact NZ-OD2 3.94Å; K171-D173 PolarHBondContact O-N 3.32Å
172L76.8Confident64.4Low104 Ų104137.7 Ų137.755%0.54572%0.724SS.*  trans-61.6127.5169-65.3169.1000108.5I170 F180I170-L172 PolarHBondContact O-N 3.16Å; L172-F180 HydrophobicContact CB-CE1 4.19Å; L172-F180 HydrophobicContact CB-CZ 4.01Å; L172-F180 HydrophobicContact CD1-CE1 4.26Å
173D69.1Low66.2Low127 Ų127135.1 Ų135.168%0.67971%0.713SS**  trans-78.5132.3-179.8-93.7-52000111.6K171 G175K171-D173 WeakPolarHBondContact CE-OD1 3.39Å; K171-D173 IonicContact NZ-OD1 2.63Å; K171-D173 PolarHBondContact NZ-OD1 2.81Å; K171-D173 IonicContact NZ-OD2 3.94Å; K171-D173 PolarHBondContact O-N 3.32Å; D173-G175 PolarHBondContact O-N 3.2Å
174H64.1Low68.2Low114 Ų114141.3 Ų141.353%0.52872%0.719SS.*  trans-79.458.6-178-63.4-92.1000111.2T176 F180H174-T176 PolarHBondContact O-N 3Å; H174-F180 AromaticContact CE1-CE2 3.23Å; H174-F180 WeakPolarHBondContact CE1-CE2 3.44Å; H174-F180 AromaticContact CE1-CZ 3.32Å; H174-F180 WeakPolarHBondContact CE1-CZ 3.24Å; H174-F180 AromaticContact ND1-CZ 3.83Å; H174-F180 AromaticContact NE2-CE2 3.76Å; H174-F180 AromaticContact NE2-CZ 3.82Å
175G57.9Low69.8Low77 Ų77145.4 Ų145.479%0.79471%0.714SS**SBendtrans-61.9-24.4-179.300000113.7D173D173-G175 PolarHBondContact O-N 3.2Å
176T58.6Low70.3Confident110 Ų110150.5 Ų150.568%0.67573%0.732SS**SBendtrans-124.4140.1165.352.90000109H174 E178H174-T176 PolarHBondContact O-N 3Å; T176-E178 PolarHBondContact O-N 3.06Å
177G58.6Low70.7Confident83 Ų83145.4 Ų145.486%0.85673%0.732SS**  trans-72.317.7-171.200000116.4
178E58.7Low70.9Confident102 Ų102142.7 Ų142.748%0.47773%0.73SS.*  trans-69.4124.5175.7-83-87.2120.500110.3T176 R181T176-E178 PolarHBondContact O-N 3.06Å; E178-R181 IonicContact OE1-CZ 3.94Å; E178-R181 IonicContact OE1-NH2 2.86Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 PolarHBondContact OE2-NE 3.26Å; E178-R181 IonicContact OE2-NH2 2.77Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å
179P67.1Low70.4Confident97 Ų97139.3 Ų139.363%0.6372%0.724SS**  trans-68.9137172.228.8-33.3000110.1R181P179-R181 PolarHBondContact O-N 2.95Å
180F69.1Low69.1Low140 Ų140141.2 Ų141.261%0.61472%0.72SS**  trans-52.6109.5-176.9-59.9-58.1000112.1L172 H174L172-F180 HydrophobicContact CB-CE1 4.19Å; L172-F180 HydrophobicContact CB-CZ 4.01Å; L172-F180 HydrophobicContact CD1-CE1 4.26Å; H174-F180 AromaticContact CE1-CE2 3.23Å; H174-F180 WeakPolarHBondContact CE1-CE2 3.44Å; H174-F180 AromaticContact CE1-CZ 3.32Å; H174-F180 WeakPolarHBondContact CE1-CZ 3.24Å; H174-F180 AromaticContact ND1-CZ 3.83Å; H174-F180 AromaticContact NE2-CE2 3.76Å; H174-F180 AromaticContact NE2-CZ 3.82Å
181R69.3Low68.9Low179 Ų179142.7 Ų142.768%0.67572%0.718SS**  trans-74.6130.3-178.7-60.4-177.6-175.6-99.7-1.8109.6E178 P179 G183E178-R181 IonicContact OE1-CZ 3.94Å; E178-R181 IonicContact OE1-NH2 2.86Å; E178-R181 PolarHBondContact OE1-NH2 3.19Å; E178-R181 IonicContact OE2-CZ 3.16Å; E178-R181 IonicContact OE2-NE 2.72Å; E178-R181 PolarHBondContact OE2-NE 3.26Å; E178-R181 IonicContact OE2-NH2 2.77Å; E178-R181 PolarHBondContact OE2-NH2 3.46Å; P179-R181 PolarHBondContact O-N 2.95Å; R181-G183 VanDerWaalsContact C-N 3.34Å; R181-G183 PolarHBondContact O-N 3Å
182R75.9Confident67.3Low254 Ų254144.4 Ų144.496%0.95873%0.728SS**  trans-72.684.7179.3-174.7172.666-179.6-0.1110.6
183G75.3Confident65.9Low49 Ų49148.4 Ų148.451%0.50574%0.741SS.*  trans-98.8175.7177.800000114.4R181R181-G183 VanDerWaalsContact C-N 3.34Å; R181-G183 PolarHBondContact O-N 3Å
184R79.4Confident64.6Low254 Ų254149.6 Ų149.696%0.95875%0.747SS**PPolyproline II helixtrans-83.9126164.3-72-173.1-74.7-139.90.3108.5
185W79.1Confident63.5Low220 Ų220149.8 Ų149.883%0.83376%0.762SS**PPolyproline II helixtrans-92.1133.1174.2-62.479.7000108.7
186M75.9Confident62.9Low177 Ų177149 Ų14987%0.87275%0.754SS**PPolyproline II helixtrans-100.8119.4169.4-60.9-165.2-56.900108.3
187C73.8Confident62.5Low130 Ų130150.5 Ų150.588%0.87876%0.763SS**  trans-91.5105.4172.7-620000108.3
188T70.4Confident61.6Low127 Ų127153.3 Ų153.378%0.77976%0.759SS**  trans-85120.8166.949.60000108.9
189E68.6Low60.7Low151 Ų151154.2 Ų154.271%0.70678%0.776SS**  trans-69135164.258.5-168.2-163.600109.6Y191E189-Y191 HydrophobicContact CG-CE2 3.87Å; E189-Y191 WeakPolarHBondContact OE1-CE2 3.32Å; E189-Y191 PolarHBondContact OE1-OH 3.49Å
190F52.7Low59.7Low190 Ų190157 Ų15783%0.83378%0.784SS**  trans-114.7101.8179.2-165.2-86.4000108E192F190-E192 PolarHBondContact O-N 3Å
191Y67.9Low58.4Low171 Ų171160.7 Ų160.767%0.67179%0.794SS**  trans-73.3119168.2-64.7-76.7000108.4E189 K193E189-Y191 HydrophobicContact CG-CE2 3.87Å; E189-Y191 WeakPolarHBondContact OE1-CE2 3.32Å; E189-Y191 PolarHBondContact OE1-OH 3.49Å; Y191-K193 PolarHBondContact O-N 3.01Å
192E45.9Very low56.7Low177 Ų177161.5 Ų161.583%0.82781%0.805SS**  trans-64.7100.9166.4-172.5159.3-145.100107.2F190 D194F190-E192 PolarHBondContact O-N 3Å; E192-D194 PolarHBondContact O-N 3.41Å
193K47.1Very low54.6Low187 Ų187153 Ų15381%0.81380%0.796SS**  trans-74.4108-174.7-177-174.8177.9-172.90109Y191 S195Y191-K193 PolarHBondContact O-N 3.01Å; K193-S195 PolarHBondContact O-N 2.82Å
194D40.9Very low52.9Low152 Ų152156.4 Ų156.481%0.81381%0.812SS**  trans-48.9107.2171-68.6-68.5000110.4E192 G196E192-D194 PolarHBondContact O-N 3.41Å; D194-G196 PolarHBondContact O-N 3.32Å
195S42.2Very low50.8Low119 Ų119150 Ų15083%0.83280%0.801SS**  trans-83.649.4-17645.70000111.8K193 T197K193-S195 PolarHBondContact O-N 2.82Å; S195-T197 PolarHBondContact O-N 2.82Å
196G45.1Very low48.9Very low61 Ų61145.9 Ų145.963%0.62980%0.8SS**  trans-69.593.8172.700000111.7D194D194-G196 PolarHBondContact O-N 3.32Å
197T49.6Very low47Very low141 Ų141145 Ų14587%0.86580%0.798SS**SBendtrans66.4156.2171500000118.4S195S195-T197 PolarHBondContact O-N 2.82Å
198D40.4Very low44.9Very low142 Ų142145.3 Ų145.376%0.75979%0.791SS**  trans60.5103.8171.8-136.2-32.6000119.5
199S39.1Very low43.5Very low120 Ų120145.4 Ų145.484%0.83979%0.794SS**  trans-167.453.5160.6-81.40000111.9
200I46.8Very low41.7Very low155 Ų155142 Ų14280%0.79579%0.791SS**  trans-103.187.5166.7-62.879.5000108.8
201R40.5Very low41Very low219 Ų219137.6 Ų137.683%0.82679%0.791SS**SBendtrans168.896.2140.2-173.9174.7-55.8-118.70.2113.5
202H34.5Very low39.4Very low196 Ų196136.6 Ų136.691%0.90779%0.792SS**  trans52.3131.2150.5-65.5-100.2000121.6
203G30.8Very low39.1Very low75 Ų75137.9 Ų137.977%0.77379%0.789SS**  trans-167.747.9173.300000115V205G203-V205 PolarHBondContact O-N 2.76Å
204S40.4Very low38.2Very low121 Ų121135.3 Ų135.385%0.84678%0.784SS**  trans-78.798.7-179.6172.40000112.1
205V35.3Very low38.1Very low120 Ų120133.3 Ų133.373%0.72778%0.782SS**  trans-128.7107.2168.9-1790000110.3G203 L207G203-V205 PolarHBondContact O-N 2.76Å; V205-L207 HydrophobicContact CG1-CD1 4.17Å; V205-L207 HydrophobicContact CG1-CG 4.01Å
206T38.3Very low37.6Very low132 Ų132130.6 Ų130.681%0.8177%0.773SS**  trans-88119.9162.6-57.80000107.8
207L36.6Very low37.4Very low159 Ų159136.7 Ų136.783%0.83279%0.79SS**  trans-139.7143165.2-79.5-179.3000111.6V205V205-L207 HydrophobicContact CG1-CD1 4.17Å; V205-L207 HydrophobicContact CG1-CG 4.01Å
208D29.1Very low36.6Very low136 Ų136133.5 Ų133.573%0.72779%0.786SS**  trans-112.9130.7-171.2175.731.4000109.5A210D208-A210 PolarHBondContact O-N 3Å
209P41.1Very low36.8Very low129 Ų129132.8 Ų132.884%0.83879%0.789SS**  trans-90.486.1-173.534.5-34.8000113
210A31.5Very low36.5Very low79 Ų79132.2 Ų132.265%0.65379%0.785SS**  trans-138134.2175.300000114.7D208D208-A210 PolarHBondContact O-N 3Å
211A38.5Very low35.9Very low99 Ų99131.5 Ų131.582%0.81879%0.787SS**  trans56.694.7158.400000120.1
212E32.8Very low35.4Very low149 Ų149124.7 Ų124.770%0.69679%0.785SS**  trans-16.9154.9137-163.8-169.4147.800118.5
213R41.4Very low35.1Very low204 Ų204120.3 Ų120.377%0.7778%0.776SS**  trans84.1145.2175.5-48.3-67.6164.472.811115
214D28.3Very low35.2Very low133 Ų133123 Ų12371%0.71178%0.778SS**  cis-167.4136.2-20.9170.129.6000108.2
215S37.4Very low34.7Very low110 Ų110123.5 Ų123.577%0.76978%0.776SS**  trans56.5162.6164.2-67.10000118.6
216G33Very low34.4Very low62 Ų62122.6 Ų122.664%0.63978%0.775SS**  cis151.571.6-5.500000113.7
217L40.3Very low34.6Very low189 Ų189122.1 Ų122.199%0.9977%0.774SS**  trans66.6148.6167-51.8171.5000118.4
218G32.6Very low34.4Very low75 Ų75118.4 Ų118.477%0.77377%0.766SS**  trans127.7121.8159.600000116.3
219P45.5Very low34.4Very low127 Ų127117 Ų11783%0.82576%0.763SS**  trans-113160.6-17539.9-32.9000116.4
220S32.1Very low34.1Very low108 Ų108118.6 Ų118.676%0.75576%0.759SS**  trans69.5117.4155.7-162.60000119.7
221V33.4Very low34Very low140 Ų140120 Ų12085%0.84876%0.764SS**  177.5152.2105.7-82.20000111.8
222G30.7Very low33.6Very low76 Ų76118.8 Ų118.878%0.78476%0.761SS**  trans77.1119.8165.700000115.7
223S28.4Very low34.2Very low103 Ų103118.3 Ų118.372%0.7277%0.77SS**  cis91.5120.235-171.30000114.9
224T31.8Very low33.7Very low131 Ų131112 Ų11280%0.80477%0.769SS**  trans64.8148.2160.946.40000117.4
225V31.6Very low33.9Very low133 Ų133114.6 Ų114.681%0.80678%0.782SS**  cis-148.9170.94.195.10000112.1
226S27.4Very low33.6Very low100 Ų100112.7 Ų112.770%0.69978%0.78SS**  trans-72.4-170.1176.4-34.80000112.5
227P44.3Very low33.5Very low122 Ų122115.1 Ų115.179%0.79279%0.787SS**  cis-139.3-168.41242.6-20.9000116.6
228A31.6Very low33.1Very low81 Ų81114.3 Ų114.367%0.66978%0.78SS**  trans-68.2178.8168.600000111.9
229T29.9Very low33.1Very low108 Ų108115.1 Ų115.166%0.66378%0.779SS**  -170.5137.669.438.90000115.9
230H32.8Very low32.4Very low161 Ų161118.5 Ų118.575%0.74578%0.784SS**  trans41.2160.4140.266-140.6000125.6
231S29.4Very low32.4Very low110 Ų110116.6 Ų116.677%0.76978%0.781SS**  trans91.4122.3153.5-56.90000120.2
232G31.5Very low32.2Very low72 Ų72114.5 Ų114.574%0.74277%0.773SS**  trans-100.6-140.3161.600000111
233P45.5Very low32.1Very low139 Ų139118.6 Ų118.690%0.90377%0.772SS**  cis-129.3-174.2-2.142.1-26000114.3
234G29.4Very low32.1Very low72 Ų72118.7 Ų118.774%0.74277%0.772SS**  trans-157.9156172.600000112.5
235L34.3Very low32Very low188 Ų188118.4 Ų118.498%0.98478%0.775SS**  trans-124.5149.3-161.1-72.2167.6000116
236G30.6Very low31.9Very low70 Ų70119.9 Ų119.972%0.72278%0.778SS**  trans151.5101.416500000112.1
237S29.9Very low32.2Very low113 Ų113121.8 Ų121.879%0.7978%0.78SS**  85.7120.375.1173.90000112.4
238M32.6Very low31.6Very low171 Ų171122 Ų12284%0.84278%0.781SS**  cis-161.8151.74.5-99-75.3-179.100110.7
239A32.8Very low31.5Very low92 Ų92125 Ų12576%0.7678%0.781SS**  trans58.915715800000119.7
240E31.1Very low31.7Very low199 Ų199127.1 Ų127.193%0.9379%0.793SS**  cis-111.1-164.7-15.4-62.4-172.5102.400109
241G30.4Very low31.6Very low67 Ų67125.2 Ų125.269%0.69179%0.788SS**  130.451.151.400000113.9
242S29.5Very low31.8Very low97 Ų97128.4 Ų128.468%0.67879%0.791SS**  trans45.9116.6139.9-100.30000122.4
243H29.8Very low31.5Very low162 Ų162132.8 Ų132.875%0.7579%0.792SS**  trans45.1106.9147.359.3-103.2000121.2
244S28.3Very low30.6Very low105 Ų105131 Ų13173%0.73478%0.783SS**  173.4121.6107-760000112.6L246S244-L246 PolarHBondContact O-N 3.41Å
245S29.7Very low30.3Very low124 Ų124137.7 Ų137.787%0.86779%0.787SS**  trans-84.299.7170-63.70000110.8
246L29.4Very low30Very low164 Ų164133.4 Ų133.486%0.85977%0.773SS**  trans-92.894.8168.4-73177.3000110.6S244S244-L246 PolarHBondContact O-N 3.41Å
247L32.5Very low30Very low141 Ų141135.7 Ų135.774%0.73878%0.778SS**  trans-74.9137.3162.2-67.6173.8000109.6Q249L247-Q249 HydrophobicContact CB-CG 4.46Å; L247-Q249 PolarHBondContact O-N 2.92Å
248P31.8Very low29.9Very low127 Ų127139.2 Ų139.283%0.82578%0.782SS**  trans-73.578.2157.9-6.624000108.8V250P248-V250 PolarHBondContact O-N 2.58Å
249Q30.5Very low30Very low142 Ų142139 Ų13966%0.66478%0.779SS**  trans-70.3109.1167-90.4-159.6-44.700109.5L247 L251L247-Q249 HydrophobicContact CB-CG 4.46Å; L247-Q249 PolarHBondContact O-N 2.92Å; Q249-L251 PolarHBondContact O-N 3.36Å
250V34.5Very low29.8Very low153 Ų153143.8 Ų143.893%0.92779%0.785SS**  trans-81.893.3155.5-179.20000106.7P248P248-V250 PolarHBondContact O-N 2.58Å
251L30.6Very low29.7Very low122 Ų122139 Ų13964%0.63978%0.779SS**  trans-112.8142.8174.7-160.5147.9000108.8Q249 Q253Q249-L251 PolarHBondContact O-N 3.36Å; L251-Q253 PolarHBondContact O-N 2.76Å
252H32.8Very low29.5Very low177 Ų177139.1 Ų139.182%0.81978%0.78SS**  trans-46.2128.3178.1-88.6136.3000112.5
253Q25.8Very low29.6Very low163 Ų163140.4 Ų140.476%0.76279%0.789SS**  trans-91.393.7153.3-168.8179.3115.500108.6L251 Y255L251-Q253 PolarHBondContact O-N 2.76Å; Q253-Y255 HydrophobicContact CG-CD2 4.18Å
254S25.3Very low29.7Very low102 Ų102138.6 Ų138.671%0.71379%0.79SS**  trans-69.2144.8153.4440000109
255Y24.6Very low29.7Very low213 Ų213141.4 Ų141.484%0.83580%0.796SS**  trans-127.3119.5166.2-131-86.3000108.9Q253Q253-Y255 HydrophobicContact CG-CD2 4.18Å
256S27.4Very low29.7Very low98 Ų98138.4 Ų138.469%0.68578%0.779SS**  trans-121.3118.3-178.9550000110
257S30.7Very low29.6Very low117 Ų117137.3 Ų137.382%0.81878%0.779SS**  trans41.8122.9150.3-54.30000119.8
258Q28Very low29.6Very low188 Ų188137.8 Ų137.888%0.87978%0.777SS**  trans-125.1121.3144.7-170.7170.294.400109.7
259Q34.6Very low29.5Very low166 Ų166138 Ų13878%0.77678%0.776SS**  trans-103.7151.7164.2-62.6-1795.700108.5
260H27.5Very low29.3Very low192 Ų192136.8 Ų136.889%0.88978%0.783SS**  trans-140.8149145.8-103.1-90.1000108.2
261A30.3Very low29Very low98 Ų98138.7 Ų138.781%0.8178%0.78SS**  trans-121.5170.2-152.700000114.8
262G26.9Very low28.8Very low70 Ų70138.1 Ų138.172%0.72279%0.786SS**  trans166.696.7159.700000117.5
263S31.1Very low28.6Very low124 Ų124134.8 Ų134.887%0.86778%0.783SS**  trans51.4147.1141-85.40000121.4
264T30.8Very low28.7Very low124 Ų124133.6 Ų133.676%0.76179%0.786SS**  cis-135-179.5-0.4530000107.2
265L28.1Very low29Very low164 Ų164137.3 Ų137.386%0.85979%0.792SS**  cis-159.9160.334.3179.362.3000110
266A29.6Very low29.7Very low62 Ų62132.4 Ų132.451%0.51279%0.786SS.*  trans-81.5151.5-177.700000113.9
267T29.1Very low29.7Very low140 Ų140134 Ų13486%0.85979%0.791SS**  trans-143.1133.1138.3-44.30000109.6
268H31Very low29.7Very low152 Ų152134.6 Ų134.670%0.70479%0.79SS**  trans-114.4134.4-174.217.2-113.5000109.7
269T30.4Very low29.6Very low130 Ų130133.1 Ų133.180%0.79879%0.788SS**  trans-147.1112.1160.141.20000109.5
270S27.3Very low30.1Very low117 Ų117130.1 Ų130.182%0.81878%0.783SS**  trans-105.6125.2175.4-570000110.5
271F27.1Very low30.1Very low193 Ų193126.2 Ų126.285%0.84678%0.777SS**  trans-168.2157.3148.847.8-100.9000110.6
272S27.3Very low29.9Very low110 Ų110129.7 Ų129.777%0.76978%0.777SS**  cis-168.9151.9-45.8-169.40000106.1
273S26.9Very low30.1Very low108 Ų108131.1 Ų131.176%0.75578%0.775SS**  trans-57.2148.9179-1710000113.3
274V29.3Very low30.1Very low138 Ų138129.8 Ų129.884%0.83677%0.766SS**  trans-111.2124.9168.6-172.30000108.8
275Q31.1Very low30.1Very low180 Ų180131.4 Ų131.484%0.84177%0.768SS**  trans-127.2158165.8-103.6-167.4-9.900110.6
276P38.6Very low30.1Very low109 Ų109127.1 Ų127.171%0.70876%0.764SS**  trans-109.9168.3-165.442.6-36.2000114.9
277V28.2Very low30.1Very low131 Ų131127.7 Ų127.779%0.79478%0.776SS**  trans72.1135.2165.4179.80000113.3
278T29.7Very low30.2Very low130 Ų130129.5 Ų129.580%0.79878%0.78SS**  cis-154.9168.446.9-29.40000113.9
279L27.3Very low30.1Very low158 Ų158129.7 Ų129.783%0.82778%0.781SS**  trans-64.9176.8162.4-116.564.5000112.4
280P44Very low30.7Very low102 Ų102128.6 Ų128.666%0.66278%0.776SS**  cis-141.6-172.911.343-23.6000118.4
281S27.1Very low30.8Very low111 Ų111131 Ų13178%0.77677%0.774SS**  trans76.7148.9153.676.90000118.5
282Q27.9Very low30.9Very low171 Ų171125.6 Ų125.680%0.79977%0.765SS**  cis-165.8151.2-21.2-179.1-16790.100108.5
283S30.5Very low31Very low99 Ų99125 Ų12569%0.69277%0.767SS**  trans67.9161.3169.22.40000116.2
284S30Very low31.1Very low96 Ų96128.4 Ų128.467%0.67177%0.771SS**  cis-153.4175.6-14.9-150.90000109.8
285I31.6Very low31Very low158 Ų158127 Ų12781%0.8177%0.767SS**  trans2.1123.3155-58.3157000115
286G28.7Very low30.9Very low75 Ų75125.1 Ų125.177%0.77377%0.768SS**  cis106.1121.526.400000110.5
287G29.5Very low30.6Very low74 Ų74126.7 Ų126.776%0.76377%0.769SS**  trans156.3100.317800000117.1
288L31.6Very low31.3Very low178 Ų178126.1 Ų126.193%0.93277%0.768SS**  trans38.7133.5136.7-57.2174.6000123
289Q27.5Very low31.4Very low156 Ų156126.1 Ų126.173%0.72977%0.767SS**  trans-49.5163.5148.9-123.7-15056.200112.3H291Q289-H291 PolarHBondContact OE1-ND1 3.4Å
290P44.4Very low31.5Very low107 Ų107121.8 Ų121.870%0.69576%0.761SS**  -153.3-175.554.543.1-21000118.5
291H27.6Very low30.8Very low167 Ų167125.5 Ų125.577%0.77377%0.77SS**  trans14.4157.2143.7-76.663.7000122.5Q289Q289-H291 PolarHBondContact OE1-ND1 3.4Å
292A29.5Very low30.8Very low80 Ų80127.6 Ų127.666%0.66177%0.772SS**  cis178.8161.4-19.200000112
293A29.8Very low30.8Very low97 Ų97122.8 Ų122.880%0.80277%0.769SS**  trans70.5173.3152.800000121.8
294Q29.3Very low30.7Very low180 Ų180126.2 Ų126.284%0.84178%0.778SS**  trans77.7111.7-169.6-50.6-80.521.700113.9
295S27.1Very low31.8Very low109 Ų109126.5 Ų126.576%0.76278%0.778SS**  cis82.2117.120.6-159.90000117
296V29.8Very low31.6Very low140 Ų140127.2 Ų127.285%0.84878%0.777SS**  trans179.1158.1140.6144.50000110.8
297L32.7Very low31.7Very low142 Ų142128.5 Ų128.574%0.74378%0.775SS**  trans-92.3172.8-170.6-55.1166.7000113.6V299L297-V299 HydrophobicContact CB-CG2 4.35Å; L297-V299 HydrophobicContact CD1-CG2 4.36Å
298P42.8Very low31.5Very low118 Ų118133.5 Ų133.577%0.76678%0.778SS**  -133157.878.839-25.2000112.8
299V30.4Very low31.5Very low130 Ų130131.4 Ų131.479%0.78877%0.772SS**  cis67.5128.446.2-176.40000112.6L297L297-V299 HydrophobicContact CB-CG2 4.35Å; L297-V299 HydrophobicContact CD1-CG2 4.36Å
300G29.1Very low31.7Very low68 Ų68131.4 Ų131.470%0.70177%0.772SS**  cis-175.1132.9-7.700000108.5
301Q29.3Very low31.1Very low179 Ų179132.2 Ų132.284%0.83677%0.769SS**  68.7109.190.2-170-175.577.800116.7
302N28.5Very low31.3Very low156 Ų156132.6 Ų132.683%0.83477%0.772SS**  trans159.4147.4137.2-85.4-41.2000111.4
303G28.2Very low31.2Very low70 Ų70138 Ų13872%0.72278%0.78SS**  cis-166.3172.10.800000115.3
304L28.4Very low31.3Very low171 Ų171138.9 Ų138.990%0.89578%0.78SS**  trans-91.2-169.3176.5-90.7157.9000109.9
305P52.1Low31.9Very low102 Ų102136.4 Ų136.466%0.66278%0.78SS**  cis-145.5-166.816.242.8-20.4000118.1
306H27.1Very low31.9Very low172 Ų172140.1 Ų140.180%0.79679%0.787SS**  trans103.2135.7172.9-71-93.2000115.2
307S31.6Very low32.5Very low103 Ų103141.6 Ų141.672%0.7279%0.787SS**  cis155.3133.9-23.5-94.10000106
308E24.4Very low33Very low179 Ų179140 Ų14084%0.83679%0.785SS**  trans137.3108.6147.4-165150.1137.200115.5
309V32.2Very low33.4Very low133 Ų133140.2 Ų140.281%0.80679%0.787SS**  trans54.8145.4137167.50000121.1
310H30.6Very low34Very low157 Ų157139.7 Ų139.773%0.72779%0.786SS**  cis178.7160.9-17.1-174.5-150.3000109.6
311I32.5Very low34Very low124 Ų124147.6 Ų147.664%0.63680%0.796SS**  trans66.7160163.6-70.8-71.6000118.5
312Q31.7Very low34.2Very low175 Ų175145.4 Ų145.482%0.81880%0.795SS**  -165.9170-53.3-150.5172.436.300108.7
313K28.6Very low34.5Very low193 Ų193143.6 Ų143.684%0.83979%0.791SS**  trans-110.7136.1-173174.9178.3178.8175.60113
314S31.2Very low34.6Very low116 Ų116149.5 Ų149.581%0.81180%0.8SS**  trans-158.2151.2157.1-900000111.8
315P42Very low34.9Very low127 Ų127149.7 Ų149.783%0.82580%0.797SS**  trans-95.1168.1-177.838-35.5000114.2
316M27.2Very low34.3Very low187 Ų187150.3 Ų150.392%0.92180%0.801SS**  trans-130.6147.3177.5-169.772.28400110.9
317M41.6Very low34.6Very low171 Ų171148.9 Ų148.984%0.84280%0.804SS**PPolyproline II helixtrans-99.7166.6179.4-95.9-137-58.800113.6
318P43.1Very low35.3Very low108 Ų108150 Ų15070%0.70181%0.809SS**PPolyproline II helixtrans-72.2163.7179.330.3-36.9000114.4
319P52.3Low35.7Very low123 Ų123145.2 Ų145.280%0.79981%0.807SS**PPolyproline II helixtrans-91.3144.3-168.434.8-35.6000115.2
320P42.7Very low35.7Very low120 Ų120144.7 Ų144.778%0.77980%0.804SS**PPolyproline II helixtrans-92.6161.7167.436.3-33.7000113.4
321Y28Very low35.7Very low234 Ų234145 Ų14592%0.91881%0.805SS**PPolyproline II helixtrans-76.5162.3171.8-91.3-104.5000113.1
322V33.7Very low35.5Very low132 Ų132145.4 Ų145.480%0.881%0.808SS**  trans-125.2124.1-177.3-162.40000112.3
323P35.3Very low35.3Very low118 Ų118143.8 Ų143.877%0.76680%0.804SS**  trans-96.6149.5155.9-727000111.9
324Q31.1Very low35.2Very low194 Ų194140.3 Ų140.391%0.90780%0.799SS**  trans-72.8151.8-178.1-76.8-78.1-4.300113.9
325Q33Very low35.1Very low175 Ų175139.2 Ų139.282%0.81879%0.791SS**  trans-116.1145.5180-170.8-177.36.700112.1
326P40.4Very low34.5Very low115 Ų115141.5 Ų141.575%0.74779%0.79SS**  trans-80.4169.2173.5-10.628.3000114.5
327V33.4Very low34.7Very low142 Ų142136.9 Ų136.986%0.86178%0.777SS**  trans-127.2158.9173.5-93.90000111.1
328P46.6Very low34.2Very low128 Ų128134.8 Ų134.883%0.83178%0.779SS**  trans-118170-132.440.4-32.4000117
329G33.6Very low33.6Very low77 Ų77133.3 Ų133.379%0.79478%0.783SS**  trans-142.1144.8173.200000112.2
330V31.3Very low32.8Very low122 Ų122135.4 Ų135.474%0.73979%0.787SS**  trans-108.4163.7-156.9-157.60000112.9
331H30.4Very low32.3Very low164 Ų164133.7 Ų133.776%0.75978%0.783SS**  trans77.3156.6163.5-62.2-69.3000118.7
332L27.8Very low32.5Very low132 Ų132131.6 Ų131.669%0.69178%0.781SS**  cis-172121.9-30.5-175.371.3000109.8
333I28.4Very low32.3Very low142 Ų142133.9 Ų133.973%0.72878%0.783SS**  trans42.7136.4157.2-45160.9000119.8
334T27Very low32Very low120 Ų120137.8 Ų137.874%0.73679%0.791SS**  154.9126.4123.6-60.10000116.1
335S27.4Very low32.1Very low92 Ų92138.5 Ų138.564%0.64379%0.791SS**  trans62126.2148.577.40000126.1
336Q30.8Very low31.9Very low175 Ų175138.1 Ų138.182%0.81879%0.789SS**  76.3105.4122.1-72.2-165.7124.400124.7
337S31.3Very low31.3Very low90 Ų90143.2 Ų143.263%0.62980%0.795SS**  59.5133.9115.873.10000124.4
338S30.5Very low30.9Very low128 Ų128146.5 Ų146.590%0.89579%0.794SS**  trans64.6139.3151.6-54.10000117.3
339G31.4Very low30.7Very low76 Ų76145.3 Ų145.378%0.78479%0.786SS**  cis178-179.20.900000106.5
340L34.8Very low30.7Very low167 Ų167150.1 Ų150.187%0.87479%0.788SS**  cis-165159.24.8-165.4157.7000107.2
341A33.1Very low31.5Very low85 Ų85149.9 Ų149.970%0.70279%0.789SS**  trans83145.4165.800000117.3
342Q31.1Very low31.5Very low189 Ų189151 Ų15188%0.88379%0.794SS**  cis-1331703.5-93.4-150.93.500114.3
343H29.9Very low32.4Very low181 Ų181150.7 Ų150.784%0.83880%0.8SS**  trans-55.2144.4171.6-84.1177.3000115.9
344Q28.9Very low32.5Very low200 Ų200148.4 Ų148.494%0.93580%0.802SS**  -150.8176.297.4-125.5179.713.800111.4
345K32.5Very low32.7Very low209 Ų209147.7 Ų147.791%0.90980%0.802SS**  trans-117154.9-156.8-160.3167.2-175.8177.30113.8
346E28.4Very low32.7Very low167 Ų167151.2 Ų151.278%0.7881%0.812SS**  trans-125.3151-160.3166.6175.2-179.700112.5
347Y28.3Very low33.4Very low221 Ų221148.3 Ų148.387%0.86781%0.809SS**  trans41.4153.5165.1-108.6-101.3000122.2
348Y25.8Very low33.3Very low211 Ų211149 Ų14983%0.82782%0.82SS**  trans-131.8129.4171.8-160.3-76.3000110.9
349P42.9Very low33.2Very low104 Ų104146.9 Ų146.968%0.67582%0.818SS**  trans-105168.218038.5-33.8000115.4
350Q32.9Very low33.2Very low178 Ų178151.1 Ų151.183%0.83282%0.822SS**  trans-45.7141.5174.3178.1-177.13.900116.7
351P48.8Very low33.8Very low117 Ų117149.3 Ų149.376%0.7682%0.82SS**  trans-106.4153.9172.638-32.1000115.4
352Q28.8Very low33.6Very low186 Ų186148.6 Ų148.687%0.86982%0.821SS**  trans-136158156.2-85.4-167.4-12.900109.5
353P47.4Very low33.5Very low126 Ų126142.8 Ų142.882%0.81881%0.812SS**  trans-111.4140.8-166.738-29.7000116.2
354A30.2Very low33.6Very low94 Ų94142.6 Ų142.678%0.77781%0.811SS**  trans-164.3121.2153.600000114.8
355S30.7Very low33.8Very low105 Ų105140.9 Ų140.973%0.73480%0.804SS**  trans59.9102.8133.6-55.80000124.7
356I29Very low33.6Very low166 Ų166134.4 Ų134.485%0.85179%0.789SS**  trans50.7164.1133.436.4171000122.3
357P44.8Very low33.8Very low114 Ų114134.4 Ų134.474%0.7479%0.793SS**  cis-134.5167.7-3.638.6-20.4000118.5
358A29Very low34.8Very low105 Ų105130 Ų13087%0.86879%0.792SS**  trans59.1132.6140.700000124.4
359G28.4Very low35.1Very low83 Ų83124.3 Ų124.386%0.85679%0.789SS**  trans179.797.3164.300000113.9
360L31.9Very low34.5Very low166 Ų166124.8 Ų124.887%0.86979%0.794SS**  trans-103.4173.5176-92.6162000110.2
361P46.9Very low34.3Very low128 Ų128121 Ų12183%0.83179%0.787SS**  cis-129.1-173.823.642.7-25.3000114.3
362G28.1Very low33.3Very low70 Ų70123.6 Ų123.672%0.72279%0.794SS**  cis176.6178.3-1.900000109.7
363G29.8Very low33.1Very low67 Ų67120.5 Ų120.569%0.69179%0.793SS**  cis175.2-168.9-0.500000111.8
364Q31.7Very low32.3Very low177 Ų177119.2 Ų119.283%0.82779%0.793SS**  trans71.6158-174.8-52.8-17092.300114.1
365Q32.4Very low32.3Very low165 Ų165119 Ų11977%0.77179%0.791SS**  cis-161.4162.6-19.6-113-165.481.700106.2
366A29.8Very low32.2Very low73 Ų73120.2 Ų120.260%0.60380%0.799SS**  cis-155.8-173.3-4.900000109.2
367L31.9Very low32.2Very low166 Ų166115.3 Ų115.387%0.86979%0.79SS**  trans-137.1169.3168.2-60.9171.1000108.9
368P48.7Very low31.4Very low130 Ų130113.3 Ų113.384%0.84479%0.79SS**  -140.1169.478.837.5-21.4000114.8
369A32.6Very low31.5Very low91 Ų91116.7 Ų116.775%0.75279%0.788SS**  trans-120.1162.8169.600000110.3
370S31.1Very low31.8Very low113 Ų113120.3 Ų120.379%0.7979%0.786SS**  trans-179.2152.4143.6-85.60000115.9
371S28.3Very low32.6Very low99 Ų99118 Ų11869%0.69278%0.781SS**  trans59.9110.2141.462.80000123.1
372L27.7Very low32.1Very low171 Ų171118 Ų11890%0.89578%0.779SS**  47.1127.5113.1-60164.3000120.8
373S25.5Very low33Very low121 Ų121121 Ų12185%0.84679%0.786SS**  141.1169.9111.4-1590000115.5
374A29.3Very low32.9Very low99 Ų99122.1 Ų122.182%0.81879%0.788SS**  trans78.9156.1167.500000119.1
375A30.5Very low33.1Very low90 Ų90119.9 Ų119.974%0.74479%0.792SS**  trans-140-162.7-167.700000111.5
376S29.6Very low33.3Very low130 Ų130115.7 Ų115.791%0.90979%0.793SS**  trans80.7149.9-174.580.30000115.6
377G28.4Very low33.4Very low63 Ų63118.8 Ų118.865%0.64980%0.804SS**  cis176.184.9-6.100000117.5H379G377-H379 PolarHBondContact O-ND1 3.28Å
378G28.6Very low33.3Very low73 Ų73115.8 Ų115.875%0.75380%0.797SS**  trans72.2-170.1156.400000119.1
379H31Very low32.8Very low175 Ų175118.6 Ų118.681%0.8180%0.799SS**  trans65.991.7167.475.1-79.8000122.5G377G377-H379 PolarHBondContact O-ND1 3.28Å
380I34.1Very low32.8Very low160 Ų160119 Ų11982%0.82180%0.802SS**  -3.2142.5122.1-70.7165.5000115.6
381P49.8Very low32.7Very low117 Ų117117.4 Ų117.476%0.7680%0.803SS**  cis-140.9-175.234.634.5-11.7000118.6
382T35.2Very low32.8Very low128 Ų128120.1 Ų120.179%0.78581%0.81SS**  trans-67.2159159.146.80000112.8
383P46.6Very low33Very low134 Ų134117.7 Ų117.787%0.8780%0.802SS**  -143.8-15890.639.7-21.9000113.5
384A29.4Very low33.2Very low89 Ų89114.8 Ų114.874%0.73679%0.792SS**  trans-130.1162-162.400000116.6
385S35.9Very low34.2Very low131 Ų131116.1 Ų116.192%0.91679%0.792SS**  trans73.2137.4150.4-61.70000122.4
386G34.9Very low34.2Very low76 Ų76115.7 Ų115.778%0.78479%0.788SS**  trans117.1146.8165.700000114.5
387V32.9Very low34.1Very low138 Ų138116.1 Ų116.184%0.83679%0.785SS**  cis-166.5149.7-6.764.40000111.2
388S29.7Very low34.1Very low104 Ų104118.1 Ų118.173%0.72780%0.795SS**  trans168.9115.2147.5-76.80000109.1
389Q37.3Very low33.9Very low189 Ų189118.3 Ų118.388%0.88380%0.798SS**  63.2133.485.5-84.1-166.3-10.100115.2
390A33.3Very low33.7Very low99 Ų99114.4 Ų114.482%0.81880%0.795SS**  cis-155161.8-5.900000108.7
391G27.9Very low33.4Very low79 Ų79113 Ų11381%0.81479%0.794SS**  cis-169.3-143.92.900000106.9
392D31.8Very low32.3Very low156 Ų156112.7 Ų112.783%0.83480%0.795SS**  cis167.8138-37.2-175.1-134000105.7
393V30.9Very low31.9Very low120 Ų120111.8 Ų111.873%0.72780%0.8SS**  cis-105.5-167.76.1-680000110.9
394G29.7Very low30.9Very low61 Ų61108.9 Ų108.963%0.62980%0.795SS**  cis94.4158.39.900000114.1
395P49.8Very low32.2Very low126 Ų126110.6 Ų110.682%0.81880%0.798SS**  cis-131.1-168.80.944.6-28.6000114.9
396A30.7Very low33Very low82 Ų82109.7 Ų109.768%0.67879%0.789SS**  trans68.3118.7163.800000117.5
397V28.3Very low33.2Very low139 Ų139110.6 Ų110.684%0.84279%0.79SS**  cis84.5144.636.9-45.50000117
398A28.4Very low34.3Very low104 Ų104109 Ų10986%0.8678%0.782SS**  trans69.6140.417300000117.5
399G24.7Very low34.5Very low78 Ų78112.9 Ų112.980%0.80479%0.789SS**  trans-125.9149164.600000109.9
400A27.4Very low34.3Very low92 Ų92109.2 Ų109.276%0.7678%0.779SS**  trans-159.5137.1171.100000112.3
401V26.7Very low34.3Very low131 Ų131110.8 Ų110.879%0.79478%0.779SS**  trans42124.1147.6-530000122.7
402S25.8Very low34.6Very low110 Ų110109.8 Ų109.877%0.76977%0.768SS**  52.6112.2124.5-53.10000123.2
403A27.6Very low34.7Very low110 Ų110112.6 Ų112.691%0.90977%0.773SS**  69.9130.5122.400000122.3
404G25.7Very low34.5Very low73 Ų73110.2 Ų110.275%0.75377%0.772SS**  trans157.6125.3158.500000115.8
405P56.7Low34.6Very low125 Ų125114.3 Ų114.381%0.81279%0.785SS**  trans-101.3-163.7170.644.1-37.2000110.6
406P52.2Low35.2Very low112 Ų112113.6 Ų113.673%0.72778%0.781SS**  cis-141.9152.5-139.4-19.8000119.1
407A40.3Very low35.4Very low95 Ų95115.8 Ų115.879%0.78579%0.785SS**  trans58.6-178.1141.500000119.9
408P55.1Low35.4Very low105 Ų105116.3 Ų116.368%0.68278%0.782SS**  cis-141.6160.5-4.245.4-27.9000119
409Q35.1Very low35.5Very low185 Ų185118.5 Ų118.586%0.86478%0.779SS**  trans65163.7159-22.1-1612900119.9
410T32.5Very low36.8Very low111 Ų111119.8 Ų119.868%0.68177%0.773SS**  cis-155.7159.42.4-152.20000114.3
411V33.3Very low36.8Very low133 Ų133121.3 Ų121.381%0.80677%0.767SS**  trans55.1134.7164.6-179.90000119.4
412G33.9Very low37.1Very low57 Ų57122.8 Ų122.859%0.58877%0.766SS**  cis161150.3-11.100000115.4
413F33Very low37.4Very low216 Ų216124 Ų12495%0.94777%0.769SS**  trans62.8142.9165.7-57.3-83.9000119.6
414G28.5Very low37.5Very low69 Ų69123.2 Ų123.271%0.71176%0.763SS**  cis-163.4179.22.900000114.8
415V31.4Very low37.7Very low147 Ų147125.1 Ų125.189%0.89176%0.764SS**  trans-139.8-159-171.5-119.60000108.1
416P61.2Low36.6Very low112 Ų112127.1 Ų127.173%0.72776%0.763SS**  cis-136.4-150.6-2.738.2-15.2000114.3
417V35.8Very low35.4Very low127 Ų127131.7 Ų131.777%0.7777%0.767SS**  trans109.7124.4163.3177.90000113.8
418L29.1Very low34.8Very low151 Ų151131.2 Ų131.279%0.79176%0.763SS**  cis-157.9-169-15.6-123.6176.9000111.4
419L29.2Very low35Very low150 Ų150132.5 Ų132.579%0.78577%0.771SS**  trans-146.7-167.6-179.8-123.375.9000109.1
420P52.3Low34.7Very low104 Ų104128.5 Ų128.568%0.67577%0.77SS**  cis-123-132.17.824.24.8000112.9
421L27.9Very low34.7Very low124 Ų124129.5 Ų129.565%0.64978%0.776SS**  cis-169.81357.8-167.959.9000115.6
422Q33.4Very low34.4Very low162 Ų162131.4 Ų131.476%0.75778%0.776SS**  trans60.2170.2152-72.1163.4-8.400123.1
423T31.6Very low35.3Very low136 Ų136133.8 Ų133.883%0.83478%0.781SS**  160.4129-56.2-75.80000112.8
424A28.7Very low35.2Very low94 Ų94132 Ų13278%0.77778%0.776SS**  trans-171.8170.5158.800000114.2
425S30Very low36.2Very low113 Ų113134.1 Ų134.179%0.7978%0.777SS**  trans-162.7-178.7-174.8-53.30000116.2
426Q33.3Very low36.3Very low167 Ų167136.2 Ų136.278%0.7878%0.779SS**  trans97153.8164.5-58.9174.55.600118.6
427Y28.3Very low34.7Very low207 Ų207134.1 Ų134.181%0.81278%0.778SS**  cis-153.3175.36.6-124.7-59.4000113.3
428A28.1Very low34.5Very low85 Ų85136.9 Ų136.970%0.70278%0.782SS**  trans-160.7-168.6179.100000111.5
429P59Low35.6Very low132 Ų132135.5 Ų135.586%0.85778%0.782SS**  cis-142.1-163.1-145.6-24.5000117.1
430A28.6Very low35.7Very low102 Ų102132.9 Ų132.984%0.84378%0.783SS**  trans-163.3162.3172.300000116
431V31.9Very low34.6Very low131 Ų131132.4 Ų132.479%0.79479%0.787SS**  trans-167.1158.5-178.790.20000120.1
432Q27.7Very low34.7Very low173 Ų173133.5 Ų133.581%0.80880%0.799SS**  trans68170.8156.3-83-173-57.900124.1
433P52Low34.6Very low108 Ų108129.2 Ų129.270%0.70180%0.799SS**  cis-134.6-156.3-3839.4-18.9000115.5
434Q30.3Very low34.5Very low179 Ų179129.6 Ų129.684%0.83680%0.8SS**  trans-142-174.5-171.8-77.2-75.9-3.800111.8
435P50.7Low34.7Very low112 Ų112133.1 Ų133.173%0.72780%0.801SS**  cis-143.8-156.1545.2-23.3000117.1
436M32.6Very low34.8Very low191 Ų191134.7 Ų134.794%0.94180%0.8SS**  trans110.5123.4146.8-154.471.6159.500121.9
437G28.2Very low34.6Very low69 Ų69133 Ų13371%0.71180%0.802SS**  trans126.2148.7156.400000120.2
438H31.6Very low35Very low185 Ų185129.1 Ų129.186%0.85680%0.802SS**  trans-155.1161.3174.537.2-120000110.4
439P52.2Low34.9Very low121 Ų121129.5 Ų129.579%0.78680%0.804SS**  cis-150.717540.844.4-23.4000120.9
440A30.3Very low33.4Very low96 Ų96130.4 Ų130.479%0.79381%0.807SS**  trans56.1117.3146.800000124
441A30.3Very low33.3Very low94 Ų94129.1 Ų129.178%0.77780%0.804SS**  176.2128.2112.500000115.1
442T30.8Very low33.2Very low146 Ų146129.8 Ų129.890%0.89681%0.808SS**  trans21.1126.6154.555.50000122.8
443G30.5Very low33.1Very low73 Ų73125.3 Ų125.375%0.75381%0.808SS**  trans169.956.5160.900000122.1
444V30.1Very low32.2Very low143 Ų143125.3 Ų125.387%0.86781%0.81SS**  trans44.1144.7154.1-120.70000123.6
445Q32.1Very low32.2Very low168 Ų168122.8 Ų122.879%0.78581%0.813SS**  trans86.295.2159.1-58.6-86.961.900120.8
446N31.7Very low31.2Very low146 Ų146122 Ų12278%0.78182%0.816SS**  trans37.184.5144.6-71.422.4000123.4
447V30.1Very low31.8Very low133 Ų133118.3 Ų118.381%0.80681%0.806SS**  36.2115.8111.5-172.50000120.5
448P35.8Very low31.8Very low125 Ų125122 Ų12281%0.81282%0.815SS**  trans-100.3-173.1145.438-31000112.5
449A26.5Very low31.6Very low92 Ų92116.5 Ų116.576%0.7681%0.808SS**  trans-99.9175-156.900000118.5
450V27.4Very low30.6Very low152 Ų152115.7 Ų115.792%0.92181%0.811SS**  trans79.2136.9164.1-1730000118
451G25.9Very low30.4Very low74 Ų74116 Ų11676%0.76381%0.813SS**  trans154.189.5155.800000118.9
452V30.6Very low30.4Very low145 Ų145116 Ų11688%0.87981%0.814SS**  trans-42.9150.5170.4177.50000116.4
453G26.2Very low30.3Very low79 Ų79113.6 Ų113.681%0.81481%0.808SS**  trans-160106.4163.100000114.8
454S32.9Very low30.1Very low108 Ų108115.1 Ų115.176%0.75581%0.814SS**  trans-100144.1-179.7-60.80000113.6
455S29.1Very low30Very low127 Ų127113 Ų11389%0.88881%0.812SS**  trans-168.1134.5144.712.50000111.8
456A31.1Very low29.9Very low95 Ų95110 Ų11079%0.78582%0.815SS**  trans-96.5178.6165.600000109.3
457P44Very low29.8Very low114 Ų114107.9 Ų107.974%0.7482%0.818SS**  -151-175.96535.2-11.4000116.6
458V29.3Very low29.8Very low147 Ų147106.6 Ų106.689%0.89182%0.821SS**  trans72.9126.6165.8-162.70000116.6
459G27.6Very low29.6Very low69 Ų69105.4 Ų105.471%0.71182%0.822SS**  cis164.6165.9-9.200000114.6
460A29.8Very low29.8Very low103 Ų103105.9 Ų105.985%0.85183%0.826SS**  trans76100.5163.200000121.7
461A27.6Very low30.2Very low102 Ų102103.6 Ų103.684%0.84382%0.823SS**  97.7155.4115.900000122.4
462A29.2Very low30.4Very low96 Ų96104.6 Ų104.679%0.79382%0.824SS**  trans67.2102.9179.400000116
463A28.6Very low30.7Very low94 Ų94103.9 Ų103.978%0.77782%0.82SS**  73.1101.373.800000112.5
464A26.8Very low31.1Very low105 Ų105107.5 Ų107.587%0.86882%0.82SS**  78.8102.66400000114.3
465A28.9Very low31Very low99 Ų99107.5 Ų107.582%0.81882%0.82SS**  trans-161.5123.3160.800000113.2
466A29.7Very low31Very low105 Ų105105.7 Ų105.787%0.86881%0.813SS**  trans39.6131.2146.600000122.8
467A28.8Very low30.8Very low101 Ų101106.4 Ų106.484%0.83581%0.812SS**  trans-87.3160.7156.100000111.7
468A30Very low30.2Very low106 Ų106106.7 Ų106.788%0.87682%0.816SS**  trans-170.6148.1141.300000113.8
469A31.4Very low30.1Very low100 Ų100103.9 Ų103.983%0.82681%0.809SS**  trans-57.4164.2-179.600000117.6
470A30.7Very low30.2Very low103 Ų103107.1 Ų107.185%0.85182%0.815SS**  170.8150.3103.700000113.2
471A36.6Very low30.2Very low103 Ų103110.5 Ų110.585%0.85182%0.815SS**  trans-105.1148.7166.800000111.2
472A30.5Very low30.4Very low95 Ų95111.5 Ų111.579%0.78581%0.813SS**  trans-154.5148.317000000111.3
473V35.2Very low30.5Very low130 Ų130114.7 Ų114.779%0.78882%0.817SS**  trans-145161.8-179.9-167.80000109
474L35.4Very low30.5Very low156 Ų156114.1 Ų114.182%0.81781%0.812SS**  trans80.9152171.1-48.7172000116.5
475S29.9Very low30.6Very low107 Ų107115.7 Ų115.775%0.74881%0.811SS**  cis-178.8154.9-27.6-930000109
476A30.2Very low30.7Very low90 Ų90117.5 Ų117.574%0.74481%0.812SS**  cis-130.7-114.3-12.200000111.1
477S27.1Very low30.6Very low110 Ų110118 Ų11877%0.76981%0.809SS**  cis-155.7174.610-59.70000112.6
478S30.1Very low30.6Very low119 Ų119118.9 Ų118.983%0.83281%0.809SS**  trans-40.4139.3-179.6-47.10000120
479A27.3Very low30.8Very low89 Ų89121.9 Ų121.974%0.73681%0.81SS**  174.3149.9106.500000115.9
480T31.6Very low31.5Very low136 Ų136122.3 Ų122.383%0.83480%0.804SS**  trans71.5127.3157-8.80000120.7
481M27.9Very low32Very low175 Ų175123.9 Ų123.986%0.86281%0.805SS**  trans-97.7146.7162-63.7-134.4-55.600111.8
482P33.5Very low31.7Very low123 Ų123122.6 Ų122.680%0.79980%0.803SS**  trans-97150.6152.935.2-28.4000111.7
483N30.9Very low31.7Very low163 Ų163125.8 Ų125.887%0.87281%0.805SS**  trans-113.2173.2178.3-177.628.7000110.8
484A29Very low31.4Very low81 Ų81126.7 Ų126.767%0.66981%0.805SS**  trans93.4102.6163.200000117.9
485T28.9Very low31Very low138 Ų138122.8 Ų122.885%0.84780%0.795SS**  trans-84.9130.9159.4-54.60000110.3
486T29.4Very low31.1Very low137 Ų137126.2 Ų126.284%0.8480%0.798SS**  trans-144.5133159.652.60000111.5
487S29Very low31Very low116 Ų116128.7 Ų128.781%0.81180%0.804SS**  trans-84145.1-178.5-48.40000113.8
488S28.3Very low31Very low120 Ų120132.9 Ų132.984%0.83981%0.809SS**  trans-166.7140.5140.357.10000112.1
489L33.5Very low31Very low168 Ų168133.2 Ų133.288%0.8881%0.806SS**  trans-89.1159.3173-79.8163.1000111.7
490P46.8Very low31.9Very low110 Ų110134.9 Ų134.971%0.71481%0.81SS**  trans-86165.1-172.938.3-39000112.8
491P41.2Very low31.7Very low135 Ų135131.6 Ų131.688%0.87780%0.803SS**  -154.9-172.29341.6-23.1000115.2
492G29.9Very low31.7Very low77 Ų77131 Ų13179%0.79480%0.801SS**  trans121.467.3140.700000120.4
493L30.1Very low31.7Very low161 Ų161133.2 Ų133.284%0.84381%0.805SS**  trans-39.9149.1165.5-76.5166.4000119.6
494I29Very low31.5Very low150 Ų150128.1 Ų128.177%0.76979%0.791SS**  trans91.9114.2140.5-69158.6000122.6
495A27.3Very low32.2Very low74 Ų74131.3 Ų131.361%0.61280%0.802SS**  trans57114.613700000126.2
496H31.1Very low32.7Very low178 Ų178133.5 Ų133.582%0.82480%0.803SS**  40.7131.6123.4-48.7-69.7000124.2
497T28.7Very low32.7Very low142 Ų142130.7 Ų130.787%0.87180%0.802SS**  137120.9126.958.90000118.1
498K27.8Very low32.9Very low199 Ų199132.6 Ų132.687%0.86580%0.802SS**  trans18.1131.8147.7-147.2165.8-176.4174.40123.5
499T29.7Very low33.9Very low125 Ų125132.2 Ų132.277%0.76780%0.796SS**  trans-47.8174.1161.223.30000117.7
500P46.4Very low33.9Very low125 Ų125128.3 Ų128.381%0.81279%0.788SS**  cis-137174.91.238.3-20.4000117.4
501G27.8Very low33.2Very low67 Ų67130 Ų13069%0.69180%0.796SS**  trans163106.915100000121.2
502I28.2Very low32.6Very low162 Ų162126.7 Ų126.783%0.83179%0.788SS**  trans74.4132.3142.2-58.8176.9000120.8
503L31.9Very low32.5Very low169 Ų169133 Ų13389%0.88579%0.793SS**  trans60126.4168-72.6163.7000118.2
504G27.5Very low32.4Very low56 Ų56128.6 Ų128.658%0.57779%0.787SS**  cis176.2-172.7-2.900000113.7
505V44Very low32.3Very low148 Ų148129.5 Ų129.590%0.89779%0.788SS**  trans49.4124.1165-169.70000118.5
506Q38.1Very low32.5Very low184 Ų184132.6 Ų132.686%0.8679%0.794SS**  trans-145.7159.4-137.6-64-174.560.600113.5
507G29.3Very low32.1Very low79 Ų79132.2 Ų132.281%0.81479%0.792SS**  trans-163.5114.9169.200000113.4
508L33.4Very low32.1Very low156 Ų156128.8 Ų128.882%0.81778%0.778SS**  trans-94.4-174.1173-71.1161000110.2
509P49.6Very low32.1Very low112 Ų112125.4 Ų125.473%0.72778%0.78SS**  cis-117.7168.8-15.79.217.3000112.3
510A33.1Very low32Very low86 Ų86123.1 Ų123.171%0.71178%0.781SS**  68.2146.956.100000114.5
511T33.2Very low31.6Very low144 Ų144128.7 Ų128.788%0.88379%0.786SS**  cis-144.3-164.4-1-22.50000107.6
512G28.5Very low31.7Very low67 Ų67134.3 Ų134.369%0.69179%0.791SS**  cis155.1-178.38.700000107.9
513F27.4Very low31.9Very low209 Ų209130.7 Ų130.792%0.91778%0.78SS**  cis179.3130.9-35-159.1-78.9000107.7
514G28.8Very low31.6Very low69 Ų69132 Ų13271%0.71178%0.782SS**  trans80.8167.3168.600000119
515Q26.9Very low31.7Very low168 Ų168133.1 Ų133.179%0.78579%0.793SS**  cis-172.2147.1-15.3-157.4179.9-33.700111.4
516L30.5Very low31Very low140 Ų140131.2 Ų131.273%0.73379%0.793SS**  trans53.3159.2156.682.992.6000120.7
517E24.1Very low30.6Very low170 Ų170127.1 Ų127.179%0.79479%0.79SS**  cis-156.5162.7-15.4-143.6-163.1109.700111.6
518A27.2Very low30.5Very low69 Ų69132.5 Ų132.557%0.5779%0.794SS**  trans42.9134146.300000126.4
519S27.8Very low30.1Very low129 Ų129130.7 Ų130.790%0.90279%0.794SS**  trans64.8133.9135.3-68.50000123
520G29.2Very low29.7Very low76 Ų76130.5 Ų130.578%0.78479%0.793SS**  trans170.130.3154.900000126.7
521R37.8Very low29.3Very low243 Ų243132.5 Ų132.592%0.91780%0.796SS**  trans48.9119.1153.6-58.4-178.4178.6-155.9-2122.3
522K29.2Very low29.1Very low184 Ų184132 Ų13280%0.879%0.793SS**  trans71.9140.5137.9-74.8-171.981.1-79.90123.5
523S31.9Very low29.1Very low87 Ų87134.8 Ų134.861%0.60880%0.802SS**  trans80.980.2145.4-72.10000120.4
524E26.8Very low29Very low197 Ų197128.6 Ų128.692%0.92180%0.797SS**  40.9113.1105-163.2179.5153.200119
525G29.2Very low29.2Very low79 Ų79136 Ų13681%0.81480%0.803SS**  trans-175.7130.8165.400000109.1
526A29.5Very low29.2Very low108 Ų108134.3 Ų134.389%0.89380%0.799SS**  trans-118129.4-163.100000114.5
527A28.8Very low29.2Very low97 Ų97132 Ų13280%0.80280%0.801SS**  trans-169.9115.1146.100000112.9
528Q27.9Very low29.5Very low193 Ų193127 Ų12790%0.90279%0.794SS**  trans20.1110.6148.1-63.8172-14.500121.3
529S24.5Very low29.5Very low117 Ų117132.7 Ų132.782%0.81881%0.806SS**  trans10.6158.9131.6-117.30000122
530P41.4Very low29.3Very low108 Ų108133.8 Ų133.870%0.70180%0.797SS**  cis-136.8-1796.537.2-17000116.1
531V24.8Very low29.3Very low128 Ų128138.5 Ų138.578%0.77680%0.796SS**  trans143.3117.6142.7165.80000114.9
532V28.8Very low29.1Very low135 Ų135135.4 Ų135.482%0.81879%0.794SS**  trans58.2131.8149.31710000122.8
533S28.2Very low29.3Very low125 Ų125132.1 Ų132.187%0.87479%0.791SS**  trans79.2111.5159.3-152.70000119.3
534G26.6Very low29.2Very low78 Ų78136.3 Ų136.380%0.80480%0.802SS**  trans179.9126172.800000109.7
535R31.4Very low29.3Very low225 Ų225133.7 Ų133.785%0.84980%0.799SS**  trans-102.8142.5-160.7169.6-178.8177.4179.32.8113.7
536D26.9Very low29.7Very low132 Ų132137.5 Ų137.571%0.70680%0.8SS**  trans59.5155.2167.5-80.2-70.9000116.6
537A30.9Very low29.7Very low92 Ų92141.5 Ų141.576%0.7680%0.8SS**  cis-126179.50.500000111.8
538G31.1Very low30.1Very low64 Ų64144.8 Ų144.866%0.6680%0.804SS**  trans-68.5169.7-166.500000116.9
539K27.1Very low30Very low190 Ų190140.9 Ų140.983%0.82680%0.798SS**  cis60.7137.224.3-53.6-165.7177.5-173.10112.9
540H24.1Very low30.5Very low151 Ų151141.4 Ų141.470%0.69980%0.796SS**  cis-159-158.55.2-128.3-150.8000108
541F28.3Very low30Very low176 Ų176141.9 Ų141.977%0.77280%0.799SS**  trans79101.2164.1-68-86.4000118.9
542M34.1Very low30.7Very low178 Ų178142.5 Ų142.588%0.87780%0.803SS**  -72.3154116.8-67.7-67.6-178.600108.5
543P33Very low31Very low114 Ų114142.2 Ų142.274%0.7480%0.802SS**  -135.3164.9109.738.4-29.7000114.3
544E29.7Very low31.2Very low176 Ų176140.9 Ų140.982%0.82279%0.792SS**  trans-87.7132.1-174.8178.1-172.1126.400112.2
545T30.1Very low31.9Very low141 Ų141145.8 Ų145.887%0.86580%0.799SS**  trans-148.1132.915448.60000111.2
546L36Very low32.1Very low160 Ų160144.6 Ų144.684%0.83880%0.8SS**  trans-67.7153.5177.8-61155.2000113
547Q30.3Very low32.5Very low192 Ų192141.1 Ų141.190%0.89780%0.795SS**  trans-163.9161.1137.7-99.1-65.2-9.900109.3
548L35.9Very low32.8Very low166 Ų166144.8 Ų144.887%0.86980%0.801SS**  trans-106.9130.5-159.1-166.777.2000113.6
549S25.9Very low33Very low111 Ų111149.2 Ų149.278%0.77681%0.808SS**  trans-165.3135.7154.4-166.50000113.1
550T35.1Very low33.4Very low128 Ų128145.9 Ų145.979%0.78581%0.806SS**  trans-94.7144165.749.40000110.6
551P32.3Very low34.3Very low117 Ų117145.3 Ų145.376%0.7681%0.813SS**  -130.4163.2121.937-30.7000113.2
552V39Very low34.6Very low142 Ų142144.3 Ų144.386%0.86182%0.815SS**  trans-85.3125.2-177.2179.90000110.8
553T34.3Very low35.3Very low129 Ų129139.6 Ų139.679%0.79181%0.813SS**  trans-135.8101.4166.951.50000112.1
554S32.6Very low35.9Very low96 Ų96142.5 Ų142.567%0.67182%0.817SS**  trans27.1105.4154.9-1550000119F556S554-F556 PolarHBondContact O-N 2.89Å
555L42.1Very low36.9Very low181 Ų181143.4 Ų143.495%0.94882%0.821SS**  trans-79.961173.8-174.759.2000111.8
556F35.3Very low37.9Very low200 Ų200143.6 Ų143.688%0.87782%0.817SS**  trans-98.1101.3-178.1-135.3-84.3000112S554S554-F556 PolarHBondContact O-N 2.89Å
557G35.7Very low38.7Very low59 Ų59146.3 Ų146.361%0.60882%0.816SS**SBendtrans142135.6164.200000116.4
558I36Very low39.8Very low170 Ų170140.4 Ų140.487%0.87279%0.79SS**  trans66.878.1163-39.6174.2000115.7
559L35.4Very low40.9Very low157 Ų157135.8 Ų135.882%0.82277%0.77SS**  trans-92.1145.6134.8-78.1168.9000108.2V561L559-V561 PolarHBondContact O-N 2.85Å
560P36.4Very low42.4Very low119 Ų119132.8 Ų132.877%0.77375%0.749SS**  trans-73.3111.217230.1-31.7000109.5
561V41.9Very low43.8Very low140 Ų140131.2 Ų131.285%0.84874%0.739SS**  trans-71.1133.6163.71760000107.7L559L559-V561 PolarHBondContact O-N 2.85Å
562D36Very low45.2Very low154 Ų154128.1 Ų128.182%0.82472%0.724SS**  trans-71.4144.2-176.7-156.2-2.3000111.4E564D562-E564 PolarHBondContact O-N 2.99Å
563G49.1Very low46.3Very low80 Ų80124.2 Ų124.283%0.82570%0.695SS**SBendtrans-8658.7-162.100000114.9
564E44.9Very low47.5Very low175 Ų175125.1 Ų125.182%0.81869%0.685SS**  trans-101.9-27-175.8-156.9-172116.700114.8D562 D566D562-E564 PolarHBondContact O-N 2.99Å; E564-D566 PolarHBondContact O-N 3.23Å
565E51.4Low49.1Very low195 Ų195126.9 Ų126.991%0.91168%0.683SS**  trans-67.5-11.6-161.6-154.5121.8100.300115.9R567E565-R567 PolarHBondContact O-N 2.97Å
566D50Low49.8Very low145 Ų145121.2 Ų121.278%0.77566%0.662SS**  trans-80.641.9-178.5-155.2-8.3000113.3E564 N568E564-D566 PolarHBondContact O-N 3.23Å; D566-N568 PolarHBondContact O-N 3.36Å
567R53.7Low50.6Low216 Ų216116.8 Ų116.882%0.81564%0.643SS**  trans-80.250167-167.8161.717873.43.6110.9E565 P569E565-R567 PolarHBondContact O-N 2.97Å; R567-P569 VanDerWaalsContact O-N 3.12Å
568N52.8Low51.6Low69 Ų69120.5 Ų120.537%0.36964%0.644SS.*  trans-47.5117.1179.6-177.1-22.2000111D566 S570 T571D566-N568 PolarHBondContact O-N 3.36Å; N568-S570 PolarHBondContact O-N 2.91Å; N568-S570 VanDerWaalsContact O-N 3.08Å; N568-S570 WeakPolarHBondContact OD1-CB 3.03Å; N568-S570 PolarHBondContact OD1-N 3.26Å; N568-S570 PolarHBondContact OD1-OG 3.22Å; N568-T571 WeakPolarHBondContact O-CB 3.49Å; N568-T571 PolarHBondContact O-N 2.76Å
569P59.3Low52.2Low69 Ų69116.7 Ų116.745%0.44863%0.633SS.*Hα-helixtrans-62-23.6-17422.9-33000112.7R567 T571 A572 F573R567-P569 VanDerWaalsContact O-N 3.12Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.01Å; P569-A572 PolarHBondContact O-N 3.01Å; P569-F573 WeakPolarHBondContact O-CB 3.37Å; P569-F573 PolarHBondContact O-N 2.95Å
570S58Low52.9Low48 Ų48112.4 Ų112.434%0.33663%0.627SS.*Hα-helixtrans-56.5-37.6172.7-45.60000112.3N568 F573 Y574N568-S570 PolarHBondContact O-N 2.91Å; N568-S570 VanDerWaalsContact O-N 3.08Å; N568-S570 WeakPolarHBondContact OD1-CB 3.03Å; N568-S570 PolarHBondContact OD1-N 3.26Å; N568-S570 PolarHBondContact OD1-OG 3.22Å; S570-F573 WeakPolarHBondContact O-CB 3.48Å; S570-F573 PolarHBondContact O-N 3.17Å; S570-Y574 WeakPolarHBondContact O-CD2 3.43Å; S570-Y574 PolarHBondContact O-N 3.49Å
571T64.8Low53.6Low94 Ų94111.6 Ų111.658%0.57762%0.624SS**Hα-helixtrans-67.4-41.6-177.6-56.70000111.3N568 P569 Q575N568-T571 WeakPolarHBondContact O-CB 3.49Å; N568-T571 PolarHBondContact O-N 2.76Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.01Å; T571-Q575 WeakPolarHBondContact O-CB 3.38Å; T571-Q575 PolarHBondContact O-N 2.99Å; T571-Q575 VanDerWaalsContact O-N 3.15Å
572A61.6Low53.9Low52 Ų52116 Ų11643%0.4363%0.625SS.*Hα-helixtrans-66.9-41.1173.500000111.7P569 Q575 A576P569-A572 PolarHBondContact O-N 3.01Å; A572-Q575 PolarHBondContact O-N 3.46Å; A572-A576 PolarHBondContact O-N 2.84Å
573F61.1Low54.6Low60 Ų60116.1 Ų116.126%0.26363%0.625SS.*Hα-helixtrans-58-52.6176179.4-88.8000111.9P569 S570 Q575 A576 F577 L611P569-F573 WeakPolarHBondContact O-CB 3.37Å; P569-F573 PolarHBondContact O-N 2.95Å; S570-F573 WeakPolarHBondContact O-CB 3.48Å; S570-F573 PolarHBondContact O-N 3.17Å; F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 3.28Å; F573-A576 PolarHBondContact O-N 3.2Å; F573-F577 HydrophobicContact CD1-CD2 4.24Å; F573-F577 HydrophobicContact CD1-CE2 4.32Å; F573-F577 HydrophobicContact CD2-CE2 4.2Å; F573-F577 HydrophobicContact CE1-CD2 4.05Å; F573-F577 AromaticContact CE1-CE2 3.85Å; F573-F577 HydrophobicContact CE1-CE2 3.85Å; F573-F577 AromaticContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CG-CE2 4.47Å; F573-F577 HydrophobicContact CZ-CD2 4.21Å; F573-F577 AromaticContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CZ 4.38Å; F573-F577 WeakPolarHBondContact O-CD2 3.44Å; F573-F577 PolarHBondContact O-N 3.29Å; F573-L611 HydrophobicContact CD2-CD2 3.77Å; F573-L611 HydrophobicContact CD2-CG 4.11Å; F573-L611 HydrophobicContact CE2-CD2 3.7Å; F573-L611 HydrophobicContact CE2-CG 4.02Å
574Y59.6Low54.4Low148 Ų148122 Ų12258%0.5862%0.622SS**Hα-helixtrans-65.1-29.5178.1-75.6-63.5000113.4S570 Q578S570-Y574 WeakPolarHBondContact O-CD2 3.43Å; S570-Y574 PolarHBondContact O-N 3.49Å; Y574-Q578 WeakPolarHBondContact O-CG 3.23Å; Y574-Q578 PolarHBondContact O-N 3.39Å; Y574-Q578 PolarHBondContact O-NE2 2.97Å
575Q66Low54.4Low134 Ų134122.1 Ų122.163%0.62663%0.628SS**Hα-helixtrans-73.2-34.3176.4-170169.873.500112.4T571 A572 F573 S579T571-Q575 WeakPolarHBondContact O-CB 3.38Å; T571-Q575 PolarHBondContact O-N 2.99Å; T571-Q575 VanDerWaalsContact O-N 3.15Å; A572-Q575 PolarHBondContact O-N 3.46Å; F573-Q575 VanDerWaalsContact C-N 3.29Å; F573-Q575 PolarHBondContact O-N 3.28Å; Q575-S579 PolarHBondContact O-N 3.08Å; Q575-S579 PolarHBondContact O-OG 3.47Å
576A56.7Low54Low62 Ų62116.5 Ų116.551%0.51261%0.611SS.*Hα-helixtrans-63.4-46.9174.100000112A572 F573 S579A572-A576 PolarHBondContact O-N 2.84Å; F573-A576 PolarHBondContact O-N 3.2Å; A576-S579 PolarHBondContact O-N 2.93Å
577F53.2Low54.3Low107 Ų107119.9 Ų119.947%0.46962%0.618SS.*Hα-helixtrans-66-41.6178.9-81.3-79.7000113.3F573 S579 G580 L611F573-F577 HydrophobicContact CD1-CD2 4.24Å; F573-F577 HydrophobicContact CD1-CE2 4.32Å; F573-F577 HydrophobicContact CD2-CE2 4.2Å; F573-F577 HydrophobicContact CE1-CD2 4.05Å; F573-F577 AromaticContact CE1-CE2 3.85Å; F573-F577 HydrophobicContact CE1-CE2 3.85Å; F573-F577 AromaticContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CE2-CE2 3.73Å; F573-F577 HydrophobicContact CG-CE2 4.47Å; F573-F577 HydrophobicContact CZ-CD2 4.21Å; F573-F577 AromaticContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CE2 3.54Å; F573-F577 HydrophobicContact CZ-CZ 4.38Å; F573-F577 WeakPolarHBondContact O-CD2 3.44Å; F573-F577 PolarHBondContact O-N 3.29Å; F577-S579 VanDerWaalsContact C-N 3.27Å; F577-S579 PolarHBondContact O-N 3.4Å; F577-G580 PolarHBondContact O-N 3.3Å; F577-L611 HydrophobicContact CE2-CD2 3.7Å; F577-L611 HydrophobicContact CZ-CD2 4.09Å
578Q55Low54Low136 Ų136113.9 Ų113.964%0.63662%0.615SS**Hα-helixtrans-62.1-34.4177.9-7717482.600112.9Y574 G580 S581Y574-Q578 WeakPolarHBondContact O-CG 3.23Å; Y574-Q578 PolarHBondContact O-N 3.39Å; Y574-Q578 PolarHBondContact O-NE2 2.97Å; Q578-G580 PolarHBondContact O-N 3.45Å; Q578-S581 PolarHBondContact O-N 2.92Å; Q578-S581 VanDerWaalsContact O-N 3.08Å
579S50.2Low53.4Low90 Ų90119.2 Ų119.263%0.62964%0.638SS**Hα-helixtrans-62-26179.3-610000113.2Q575 A576 F577Q575-S579 PolarHBondContact O-N 3.08Å; Q575-S579 PolarHBondContact O-OG 3.47Å; A576-S579 PolarHBondContact O-N 2.93Å; F577-S579 VanDerWaalsContact C-N 3.27Å; F577-S579 PolarHBondContact O-N 3.4Å
580G48.8Very low53Low68 Ų68120.6 Ų120.670%0.70165%0.649SS**THydrogen-bonded Turntrans-80.9-7.5176.200000115.4F577 Q578F577-G580 PolarHBondContact O-N 3.3Å; Q578-G580 PolarHBondContact O-N 3.45Å
581S51Low52.8Low101 Ų101125.2 Ų125.271%0.70667%0.67SS**  trans-107.621.8-167-164.50000114.8Q578Q578-S581 PolarHBondContact O-N 2.92Å; Q578-S581 VanDerWaalsContact O-N 3.08Å
582R48.9Very low52.1Low234 Ų234126.9 Ų126.988%0.88369%0.685SS**  trans-106.129.1179.9-75.1-169.5173.6-1132.1114.7
583L50.3Low51.8Low155 Ų155127.5 Ų127.581%0.81269%0.691SS**SBendtrans-134.7127.4175.8-149.380000113.3
584R46.2Very low51.6Low204 Ų204129.4 Ų129.477%0.7771%0.711SS**  trans75.282.2175-55.1-158.7-160.8-172.58.9118.4S586R584-S586 WeakPolarHBondContact CB-OG 3.23Å; R584-S586 PolarHBondContact O-N 3.03Å
585D43.8Very low51.8Low177 Ų177125 Ų12595%0.94771%0.71SS**  -61.4113117.4-84.2-65.6000108.5
586S44.1Very low52Low77 Ų77123.6 Ų123.654%0.53871%0.711SS.*  trans-157.284176.3-690000111.5R584 A588R584-S586 WeakPolarHBondContact CB-OG 3.23Å; R584-S586 PolarHBondContact O-N 3.03Å; S586-A588 PolarHBondContact O-N 3.18Å
587K56.4Low53Low216 Ų216125.5 Ų125.594%0.93971%0.713SS**  trans-74.884.1177.9-177.2-171.4172.6660111.8
588A45.6Very low54.6Low90 Ų90124.8 Ų124.874%0.74471%0.713SS**  trans-163.9148.1161.900000113.3S586S586-A588 PolarHBondContact O-N 3.18Å
589H41.6Very low56.1Low182 Ų182122 Ų12284%0.84371%0.705SS**  trans58.292163.2-119.969.1000117.7
590S51Low58Low98 Ų98119.9 Ų119.969%0.68569%0.693SS**  trans-69169.2146.3-62.10000110.5
591D52.3Low60.1Low144 Ų144120.7 Ų120.777%0.7768%0.68SS**SBendtrans76.4142.6169.2-51-39.6000118
592S51.2Low62.2Low129 Ų129119.8 Ų119.890%0.90267%0.667SS**SBendtrans83.213.7170.9-46.50000120.6
593A54.4Low64.4Low66 Ų66112.6 Ų112.655%0.54565%0.646SS.*  trans-136.619.2173.400000116G595 T596A593-G595 VanDerWaalsContact C-N 3.33Å; A593-G595 PolarHBondContact O-N 3.45Å; A593-G595 VanDerWaalsContact O-N 3.13Å; A593-T596 PolarHBondContact O-N 2.99Å
594S57.9Low66.5Low100 Ų100111.9 Ų111.970%0.69964%0.637SS**Hα-helixtrans-57.8-34.7-164.1-156.70000115.7T596 N597 I598S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 2.9Å; S594-N597 PolarHBondContact O-N 3.3Å; S594-N597 VanDerWaalsContact O-N 3.16Å; S594-I598 PolarHBondContact O-N 3.31Å
595G62.8Low68.9Low54 Ų54106.6 Ų106.656%0.55762%0.623SS**Hα-helixtrans-65.8-19.7-176.400000115.7A593 I598A593-G595 VanDerWaalsContact C-N 3.33Å; A593-G595 PolarHBondContact O-N 3.45Å; A593-G595 VanDerWaalsContact O-N 3.13Å; G595-I598 WeakPolarHBondContact O-CG2 3.49Å
596T71.4Confident71.4Confident106 Ų106103.9 Ų103.965%0.6560%0.604SS**Hα-helixtrans-83-31.8174.9-52.10000111.7A593 S594 A600A593-T596 PolarHBondContact O-N 2.99Å; S594-T596 VanDerWaalsContact C-N 3.27Å; S594-T596 PolarHBondContact O-N 2.9Å; T596-A600 WeakPolarHBondContact O-CB 3.41Å; T596-A600 PolarHBondContact O-N 2.92Å
597N77.8Confident73.9Confident102 Ų102106.5 Ų106.555%0.54561%0.608SS.*Hα-helixtrans-73.6-36.1-178.5-72.2-12.3000112.2S594 A600 I601S594-N597 PolarHBondContact O-N 3.3Å; S594-N597 VanDerWaalsContact O-N 3.16Å; N597-A600 PolarHBondContact O-N 2.75Å; N597-I601 WeakPolarHBondContact O-CD1 3.35Å; N597-I601 VanDerWaalsContact O-CG1 3.28Å; N597-I601 WeakPolarHBondContact O-CG1 3.25Å; N597-I601 PolarHBondContact O-N 3.25Å
598I85.4Confident75.8Confident92 Ų9297.9 Ų97.947%0.47258%0.577SS.*Hα-helixtrans-62.5-46.9178.2-166.966.8000111.5S594 G595 A600 I601 D602S594-I598 PolarHBondContact O-N 3.31Å; G595-I598 WeakPolarHBondContact O-CG2 3.49Å; I598-A600 VanDerWaalsContact C-N 3.28Å; I598-A600 PolarHBondContact O-N 3.39Å; I598-I601 CarbonylContact O-C 3.58Å; I598-I601 WeakPolarHBondContact O-CA 3.22Å; I598-I601 WeakPolarHBondContact O-CB 3.34Å; I598-I601 PolarHBondContact O-N 3.36Å; I598-D602 VanDerWaalsContact O-CG 3.29Å; I598-D602 PolarHBondContact O-N 2.85Å
599V86.5Confident78.3Confident78 Ų7899.3 Ų99.347%0.47357%0.57SS.*Hα-helixtrans-63.2-34.5175.9-178.20000111.8I601 N603V599-I601 VanDerWaalsContact C-N 3.31Å; V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.1Å; V599-N603 PolarHBondContact O-ND2 3.06Å
600A91.5Very high81Confident44 Ų4494.3 Ų94.336%0.36455%0.55SS..Hα-helixtrans-71.2-24.4174.200000113.4T596 N597 I598 K604T596-A600 WeakPolarHBondContact O-CB 3.41Å; T596-A600 PolarHBondContact O-N 2.92Å; N597-A600 PolarHBondContact O-N 2.75Å; I598-A600 VanDerWaalsContact C-N 3.28Å; I598-A600 PolarHBondContact O-N 3.39Å; A600-K604 WeakPolarHBondContact O-CD 3.48Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 3.17Å; A600-K604 PolarHBondContact O-N 2.84Å
601I91.9Very high83.2Confident85 Ų8593 Ų9344%0.43654%0.535SS..Hα-helixtrans-79.1-47.4172.3-70.8161.4000109.9N597 I598 V599 N603 K604 I605N597-I601 WeakPolarHBondContact O-CD1 3.35Å; N597-I601 VanDerWaalsContact O-CG1 3.28Å; N597-I601 WeakPolarHBondContact O-CG1 3.25Å; N597-I601 PolarHBondContact O-N 3.25Å; I598-I601 CarbonylContact O-C 3.58Å; I598-I601 WeakPolarHBondContact O-CA 3.22Å; I598-I601 WeakPolarHBondContact O-CB 3.34Å; I598-I601 PolarHBondContact O-N 3.36Å; V599-I601 VanDerWaalsContact C-N 3.31Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 3.38Å; I601-K604 CarbonylContact O-C 3.55Å; I601-K604 WeakPolarHBondContact O-CA 3.43Å; I601-K604 WeakPolarHBondContact O-CB 3.41Å; I601-K604 PolarHBondContact O-N 3.32Å; I601-I605 HydrophobicContact CG2-CD1 3.81Å; I601-I605 HydrophobicContact CG2-CG1 4.37Å; I601-I605 WeakPolarHBondContact O-CG1 3.48Å; I601-I605 PolarHBondContact O-N 3.2Å
602D94.5Very high85.4Confident82 Ų8290.1 Ų90.144%0.43952%0.522SS..Hα-helixtrans-57.3-47.8178-62.4-27.4000110.8I598 K604 I605 E606I598-D602 VanDerWaalsContact O-CG 3.29Å; I598-D602 PolarHBondContact O-N 2.85Å; D602-K604 PolarHBondContact O-N 2.91Å; D602-I605 PolarHBondContact O-N 3.36Å; D602-I605 VanDerWaalsContact O-N 3.12Å; D602-E606 PolarHBondContact O-N 2.96Å
603N95.1Very high87.6Confident83 Ų8390 Ų9044%0.44451%0.505SS..Hα-helixtrans-59.6-30173.9-73.3-10.7000113.2V599 I601 Q607V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.1Å; V599-N603 PolarHBondContact O-ND2 3.06Å; I601-N603 VanDerWaalsContact C-N 3.35Å; I601-N603 PolarHBondContact O-N 3.38Å; N603-Q607 WeakPolarHBondContact O-CB 3.29Å; N603-Q607 VanDerWaalsContact O-CG 3.31Å; N603-Q607 WeakPolarHBondContact O-CG 3.25Å; N603-Q607 PolarHBondContact O-N 3.35Å; N603-Q607 VanDerWaalsContact O-N 3.08Å; N603-Q607 PolarHBondContact O-NE2 2.94Å
604K95.3Very high89.7Confident141 Ų14189.3 Ų89.361%0.61350%0.496SS*.Hα-helixtrans-78.3-35176.2-80.8171.6175.5-68.80112.1A600 I601 D602 A608A600-K604 WeakPolarHBondContact O-CD 3.48Å; A600-K604 VanDerWaalsContact O-CG 3.25Å; A600-K604 WeakPolarHBondContact O-CG 3.17Å; A600-K604 PolarHBondContact O-N 2.84Å; I601-K604 CarbonylContact O-C 3.55Å; I601-K604 WeakPolarHBondContact O-CA 3.43Å; I601-K604 WeakPolarHBondContact O-CB 3.41Å; I601-K604 PolarHBondContact O-N 3.32Å; D602-K604 PolarHBondContact O-N 2.91Å; K604-A608 WeakPolarHBondContact O-CB 3.03Å; K604-A608 PolarHBondContact O-N 2.6Å
605I95.7Very high91.6Very high92 Ų9288.2 Ų88.247%0.47248%0.48SS..Hα-helixtrans-65.6-44.8172.6-66.5166.8000109.4I601 D602 A608 M609I601-I605 HydrophobicContact CG2-CD1 3.81Å; I601-I605 HydrophobicContact CG2-CG1 4.37Å; I601-I605 WeakPolarHBondContact O-CG1 3.48Å; I601-I605 PolarHBondContact O-N 3.2Å; D602-I605 PolarHBondContact O-N 3.36Å; D602-I605 VanDerWaalsContact O-N 3.12Å; I605-A608 PolarHBondContact O-N 2.95Å; I605-M609 HydrophobicContact CG2-SD 4.12Å; I605-M609 WeakPolarHBondContact O-CB 3.47Å; I605-M609 WeakPolarHBondContact O-CG 3.38Å; I605-M609 PolarHBondContact O-N 3.18Å
606E96.2Very high93.3Very high120 Ų12090.8 Ų90.856%0.56148%0.48SS*.Hα-helixtrans-64.9-43.4177.8-167.4159.1-129.300111.8D602 A608 M609 D610D602-E606 PolarHBondContact O-N 2.96Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 3.28Å; E606-M609 PolarHBondContact O-N 3.02Å; E606-D610 PolarHBondContact O-N 3.45Å
607Q97.3Very high94.5Very high133 Ų13391.4 Ų91.462%0.62148%0.477SS*.Hα-helixtrans-59.4-40.6170.9-81.2166.990.600113.1N603 L611N603-Q607 WeakPolarHBondContact O-CB 3.29Å; N603-Q607 VanDerWaalsContact O-CG 3.31Å; N603-Q607 WeakPolarHBondContact O-CG 3.25Å; N603-Q607 PolarHBondContact O-N 3.35Å; N603-Q607 VanDerWaalsContact O-N 3.08Å; N603-Q607 PolarHBondContact O-NE2 2.94Å; Q607-L611 VanDerWaalsContact O-CB 3.28Å; Q607-L611 WeakPolarHBondContact O-CB 3.3Å; Q607-L611 PolarHBondContact O-N 2.88Å
608A97.3Very high95.4Very high35 Ų3593.1 Ų93.129%0.28948%0.477SS..Hα-helixtrans-68.1-40.5176.800000111.7K604 I605 E606 L611 V612K604-A608 WeakPolarHBondContact O-CB 3.03Å; K604-A608 PolarHBondContact O-N 2.6Å; I605-A608 PolarHBondContact O-N 2.95Å; E606-A608 VanDerWaalsContact C-N 3.35Å; E606-A608 PolarHBondContact O-N 3.28Å; A608-L611 PolarHBondContact O-N 3.18Å; A608-V612 WeakPolarHBondContact O-CB 3.37Å; A608-V612 VanDerWaalsContact O-CG2 3.31Å; A608-V612 WeakPolarHBondContact O-CG2 3.47Å; A608-V612 PolarHBondContact O-N 3.49Å
609M97.7Very high96Very high119 Ų11990.1 Ų90.159%0.58647%0.466SS*.Hα-helixtrans-62.8-48.4174.4-81.7175.146.900112I605 E606 L611 V612 K613I605-M609 HydrophobicContact CG2-SD 4.12Å; I605-M609 WeakPolarHBondContact O-CB 3.47Å; I605-M609 WeakPolarHBondContact O-CG 3.38Å; I605-M609 PolarHBondContact O-N 3.18Å; E606-M609 PolarHBondContact O-N 3.02Å; M609-L611 VanDerWaalsContact C-N 3.32Å; M609-L611 PolarHBondContact O-N 3.31Å; M609-V612 PolarHBondContact O-N 3.08Å; M609-K613 WeakPolarHBondContact O-CB 3.43Å; M609-K613 PolarHBondContact O-N 2.96Å
610D97.6Very high96.6Very high78 Ų7890.3 Ų90.342%0.41747%0.467SS..Hα-helixtrans-67.9-31.5179.1-88-20.3000112.2E606 K613 S614E606-D610 PolarHBondContact O-N 3.45Å; D610-K613 VanDerWaalsContact OD1-CD 3.3Å; D610-K613 WeakPolarHBondContact OD1-CD 3.41Å; D610-K613 IonicContact OD1-NZ 2.76Å; D610-K613 PolarHBondContact OD1-NZ 3.48Å; D610-S614 WeakPolarHBondContact O-CB 3.39Å; D610-S614 PolarHBondContact O-N 3.46Å
611L97.6Very high96.8Very high71 Ų7194 Ų9437%0.37247%0.472SS..Hα-helixtrans-67-47171.4-178.460.9000112.2F573 F577 Q607 A608 M609 S614 H615F573-L611 HydrophobicContact CD2-CD2 3.77Å; F573-L611 HydrophobicContact CD2-CG 4.11Å; F573-L611 HydrophobicContact CE2-CD2 3.7Å; F573-L611 HydrophobicContact CE2-CG 4.02Å; F577-L611 HydrophobicContact CE2-CD2 3.7Å; F577-L611 HydrophobicContact CZ-CD2 4.09Å; Q607-L611 VanDerWaalsContact O-CB 3.28Å; Q607-L611 WeakPolarHBondContact O-CB 3.3Å; Q607-L611 PolarHBondContact O-N 2.88Å; A608-L611 PolarHBondContact O-N 3.18Å; M609-L611 VanDerWaalsContact C-N 3.32Å; M609-L611 PolarHBondContact O-N 3.31Å; L611-S614 PolarHBondContact O-N 3.35Å; L611-H615 WeakPolarHBondContact O-CB 3.25Å; L611-H615 PolarHBondContact O-N 3.28Å
612V98.1Very high97.1Very high82 Ų8296 Ų9650%0.49748%0.479SS..Hα-helixtrans-61.3-45175.8166.50000111A608 M609 H615 L616A608-V612 WeakPolarHBondContact O-CB 3.37Å; A608-V612 VanDerWaalsContact O-CG2 3.31Å; A608-V612 WeakPolarHBondContact O-CG2 3.47Å; A608-V612 PolarHBondContact O-N 3.49Å; M609-V612 PolarHBondContact O-N 3.08Å; V612-H615 PolarHBondContact O-N 2.89Å; V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 PolarHBondContact O-N 2.96Å
613K97.9Very high97.2Very high128 Ų12898 Ų9856%0.55749%0.486SS*.Hα-helixtrans-62.9-42.3176.5177.8-172.2177.7-1710111.9M609 D610 M617M609-K613 WeakPolarHBondContact O-CB 3.43Å; M609-K613 PolarHBondContact O-N 2.96Å; D610-K613 VanDerWaalsContact OD1-CD 3.3Å; D610-K613 WeakPolarHBondContact OD1-CD 3.41Å; D610-K613 IonicContact OD1-NZ 2.76Å; D610-K613 PolarHBondContact OD1-NZ 3.48Å; K613-M617 VanDerWaalsContact O-CB 3.27Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 WeakPolarHBondContact O-CG 3.19Å; K613-M617 PolarHBondContact O-N 2.91Å
614S97.9Very high97.4Very high50 Ų5097 Ų9735%0.3548%0.483SS..Hα-helixtrans-65.9-43.7174.8-169.80000111.4D610 L611 M617 Y618D610-S614 WeakPolarHBondContact O-CB 3.39Å; D610-S614 PolarHBondContact O-N 3.46Å; L611-S614 PolarHBondContact O-N 3.35Å; S614-M617 PolarHBondContact O-N 3.18Å; S614-Y618 WeakPolarHBondContact O-CD2 3.11Å; S614-Y618 PolarHBondContact O-N 2.86Å; S614-Y618 VanDerWaalsContact OG-CE2 3.29Å; S614-Y618 WeakPolarHBondContact OG-CE2 3.34Å
615H97.8Very high97.5Very high77 Ų7795.5 Ų95.536%0.35648%0.478SS..Hα-helixtrans-63.7-45.2177.9179.333.1000111.5L611 V612 M617 Y618 A619L611-H615 WeakPolarHBondContact O-CB 3.25Å; L611-H615 PolarHBondContact O-N 3.28Å; V612-H615 PolarHBondContact O-N 2.89Å; H615-M617 VanDerWaalsContact C-N 3.35Å; H615-M617 PolarHBondContact O-N 3.34Å; H615-Y618 PolarHBondContact O-N 3.34Å; H615-Y618 VanDerWaalsContact O-N 3.14Å; H615-A619 WeakPolarHBondContact O-CB 3.5Å; H615-A619 PolarHBondContact O-N 3.18Å
616L98.1Very high97.6Very high108 Ų10894.5 Ų94.557%0.56548%0.476SS*.Hα-helixtrans-61.7-40.9175.2-174.866.5000111.9V612 Y618 V620V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 PolarHBondContact O-N 2.96Å; L616-Y618 VanDerWaalsContact C-N 3.26Å; L616-Y618 PolarHBondContact O-N 3.16Å; L616-V620 HydrophobicContact CD1-CG2 3.77Å; L616-V620 HydrophobicContact CG-CG2 4.12Å; L616-V620 VanDerWaalsContact O-CB 3.26Å; L616-V620 WeakPolarHBondContact O-CB 3.44Å; L616-V620 VanDerWaalsContact O-CG2 3.25Å; L616-V620 WeakPolarHBondContact O-CG2 3.04Å; L616-V620 PolarHBondContact O-N 3.41Å
617M96.9Very high97.7Very high120 Ų12093 Ų9359%0.59147%0.471SS*.Hα-helixtrans-65.2-25.7175.4-77.4-70.4-60.100113.8K613 S614 H615K613-M617 VanDerWaalsContact O-CB 3.27Å; K613-M617 WeakPolarHBondContact O-CB 3.39Å; K613-M617 WeakPolarHBondContact O-CG 3.19Å; K613-M617 PolarHBondContact O-N 2.91Å; S614-M617 PolarHBondContact O-N 3.18Å; H615-M617 VanDerWaalsContact C-N 3.35Å; H615-M617 PolarHBondContact O-N 3.34Å
618Y97.6Very high97.8Very high137 Ų13792.7 Ų92.754%0.53747%0.468SS..Hα-helixtrans-82-53.1171.8-72.7-58.3000111.3S614 H615 L616 V620 R621 E622S614-Y618 WeakPolarHBondContact O-CD2 3.11Å; S614-Y618 PolarHBondContact O-N 2.86Å; S614-Y618 VanDerWaalsContact OG-CE2 3.29Å; S614-Y618 WeakPolarHBondContact OG-CE2 3.34Å; H615-Y618 PolarHBondContact O-N 3.34Å; H615-Y618 VanDerWaalsContact O-N 3.14Å; L616-Y618 VanDerWaalsContact C-N 3.26Å; L616-Y618 PolarHBondContact O-N 3.16Å; Y618-V620 PolarHBondContact O-N 3.32Å; Y618-R621 WeakPolarHBondContact O-CA 3.44Å; Y618-R621 WeakPolarHBondContact O-CB 3.34Å; Y618-R621 PolarHBondContact O-N 2.62Å; Y618-E622 WeakPolarHBondContact O-CB 3.42Å; Y618-E622 PolarHBondContact O-N 2.75Å
619A97.2Very high97.8Very high30 Ų3095.9 Ų95.925%0.24848%0.477CS..Hα-helixtrans-58.2-43.7-179.400000112.4H615 R621 E622 E623H615-A619 WeakPolarHBondContact O-CB 3.5Å; H615-A619 PolarHBondContact O-N 3.18Å; A619-R621 VanDerWaalsContact C-N 3.26Å; A619-R621 PolarHBondContact O-N 3.04Å; A619-E622 PolarHBondContact O-N 2.63Å; A619-E623 WeakPolarHBondContact O-CB 3.18Å; A619-E623 VanDerWaalsContact O-CG 3.28Å; A619-E623 WeakPolarHBondContact O-CG 3.2Å; A619-E623 PolarHBondContact O-N 2.98Å
620V98.4Very high97.8Very high82 Ų8294.9 Ų94.950%0.49747%0.471SS..Hα-helixtrans-67.1-26.7176.4173.50000112.2L616 Y618 V624L616-V620 HydrophobicContact CD1-CG2 3.77Å; L616-V620 HydrophobicContact CG-CG2 4.12Å; L616-V620 VanDerWaalsContact O-CB 3.26Å; L616-V620 WeakPolarHBondContact O-CB 3.44Å; L616-V620 VanDerWaalsContact O-CG2 3.25Å; L616-V620 WeakPolarHBondContact O-CG2 3.04Å; L616-V620 PolarHBondContact O-N 3.41Å; Y618-V620 PolarHBondContact O-N 3.32Å; V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.28Å; V620-V624 WeakPolarHBondContact O-CG2 3.29Å; V620-V624 PolarHBondContact O-N 2.89Å
621R97.5Very high97.9Very high121 Ų12196.8 Ų96.846%0.45748%0.479SS..Hα-helixtrans-73.4-47.2172.4-180-176.9-54.9156.48.3111Y618 A619 V624 E625Y618-R621 WeakPolarHBondContact O-CA 3.44Å; Y618-R621 WeakPolarHBondContact O-CB 3.34Å; Y618-R621 PolarHBondContact O-N 2.62Å; A619-R621 VanDerWaalsContact C-N 3.26Å; A619-R621 PolarHBondContact O-N 3.04Å; R621-V624 CarbonylContact O-C 3.53Å; R621-V624 PolarHBondContact O-N 3.24Å; R621-V624 VanDerWaalsContact O-N 3.16Å; R621-E625 WeakPolarHBondContact CD-OE1 3.12Å; R621-E625 HydrophobicContact CG-CG 4.4Å; R621-E625 WeakPolarHBondContact CG-OE1 3.31Å; R621-E625 WeakPolarHBondContact O-CB 3.14Å; R621-E625 WeakPolarHBondContact O-CG 3.44Å; R621-E625 PolarHBondContact O-N 2.92Å
622E97.7Very high97.9Very high127 Ų12798.8 Ų98.859%0.59349%0.485SS*.Hα-helixtrans-59.7-50.7-178.8-171.8165.5-154.900111Y618 A619 V624 E625 V626Y618-E622 WeakPolarHBondContact O-CB 3.42Å; Y618-E622 PolarHBondContact O-N 2.75Å; A619-E622 PolarHBondContact O-N 2.63Å; E622-V624 VanDerWaalsContact C-N 3.3Å; E622-V624 PolarHBondContact O-N 3.39Å; E622-E625 PolarHBondContact O-N 3.43Å; E622-V626 WeakPolarHBondContact O-CG2 3.38Å; E622-V626 PolarHBondContact O-N 3.47Å
623E96.7Very high97.9Very high125 Ų125100.5 Ų100.558%0.58449%0.488SS*.Hα-helixtrans-57.1-40.1172.3-69.3-70.9158.900112.4A619 L627A619-E623 WeakPolarHBondContact O-CB 3.18Å; A619-E623 VanDerWaalsContact O-CG 3.28Å; A619-E623 WeakPolarHBondContact O-CG 3.2Å; A619-E623 PolarHBondContact O-N 2.98Å; E623-L627 VanDerWaalsContact O-CB 3.3Å; E623-L627 WeakPolarHBondContact O-CB 3.36Å; E623-L627 WeakPolarHBondContact O-CD1 3.48Å; E623-L627 WeakPolarHBondContact O-CG 3.45Å; E623-L627 PolarHBondContact O-N 3.21Å
624V98.3Very high98Very high62 Ų6299.9 Ų99.938%0.37649%0.49SS..Hα-helixtrans-71.1-28.8176.7164.30000112.6V620 R621 E622 K628V620-V624 VanDerWaalsContact O-CB 3.31Å; V620-V624 WeakPolarHBondContact O-CB 3.28Å; V620-V624 WeakPolarHBondContact O-CG2 3.29Å; V620-V624 PolarHBondContact O-N 2.89Å; R621-V624 CarbonylContact O-C 3.53Å; R621-V624 PolarHBondContact O-N 3.24Å; R621-V624 VanDerWaalsContact O-N 3.16Å; E622-V624 VanDerWaalsContact C-N 3.3Å; E622-V624 PolarHBondContact O-N 3.39Å; V624-K628 HydrophobicContact CG1-CD 4.37Å; V624-K628 WeakPolarHBondContact O-CD 3.44Å; V624-K628 WeakPolarHBondContact O-CG 3.3Å; V624-K628 PolarHBondContact O-N 3.25Å
625E98.1Very high98Very high108 Ų108104.9 Ų104.951%0.50551%0.506SS..Hα-helixtrans-77.6-40.5175.4-76.6167.6-166.600111R621 E622 K628 E629R621-E625 WeakPolarHBondContact CD-OE1 3.12Å; R621-E625 HydrophobicContact CG-CG 4.4Å; R621-E625 WeakPolarHBondContact CG-OE1 3.31Å; R621-E625 WeakPolarHBondContact O-CB 3.14Å; R621-E625 WeakPolarHBondContact O-CG 3.44Å; R621-E625 PolarHBondContact O-N 2.92Å; E622-E625 PolarHBondContact O-N 3.43Å; E625-K628 PolarHBondContact O-N 3.36Å; E625-E629 PolarHBondContact O-N 3.47Å; E625-E629 VanDerWaalsContact O-N 3.1Å
626V98.3Very high98Very high71 Ų71107.5 Ų107.543%0.4352%0.518SS..Hα-helixtrans-60.2-48.5169.7172.20000111.4E622 K628 E629 Q630E622-V626 WeakPolarHBondContact O-CG2 3.38Å; E622-V626 PolarHBondContact O-N 3.47Å; V626-K628 VanDerWaalsContact C-N 3.31Å; V626-K628 PolarHBondContact O-N 3.25Å; V626-E629 PolarHBondContact O-N 3.3Å; V626-Q630 HydrophobicContact CG1-CG 4.41Å; V626-Q630 WeakPolarHBondContact O-CG 3.25Å; V626-Q630 PolarHBondContact O-N 2.89Å
627L98.4Very high98Very high88 Ų88109.6 Ų109.646%0.46152%0.518SS..Hα-helixtrans-61-37.5178-76.9167.6000112.5E623 I631E623-L627 VanDerWaalsContact O-CB 3.3Å; E623-L627 WeakPolarHBondContact O-CB 3.36Å; E623-L627 WeakPolarHBondContact O-CD1 3.48Å; E623-L627 WeakPolarHBondContact O-CG 3.45Å; E623-L627 PolarHBondContact O-N 3.21Å; L627-I631 WeakPolarHBondContact O-CB 3.42Å; L627-I631 WeakPolarHBondContact O-CD1 3.46Å; L627-I631 WeakPolarHBondContact O-CG1 3.43Å; L627-I631 PolarHBondContact O-N 2.82Å
628K98.2Very high98Very high128 Ų128108 Ų10856%0.55751%0.512SS*.Hα-helixtrans-64.4-43.5174.9-78.1165.4-174.3169.70112.1V624 E625 V626 I631 K632V624-K628 HydrophobicContact CG1-CD 4.37Å; V624-K628 WeakPolarHBondContact O-CD 3.44Å; V624-K628 WeakPolarHBondContact O-CG 3.3Å; V624-K628 PolarHBondContact O-N 3.25Å; E625-K628 PolarHBondContact O-N 3.36Å; V626-K628 VanDerWaalsContact C-N 3.31Å; V626-K628 PolarHBondContact O-N 3.25Å; K628-I631 PolarHBondContact O-N 3.01Å; K628-K632 WeakPolarHBondContact O-CB 3.09Å; K628-K632 PolarHBondContact O-N 3.33Å
629E98.1Very high98.1Very high102 Ų102103.6 Ų103.648%0.47750%0.501SS..Hα-helixtrans-69.8-38179.9-168.456.5-149.700111.3E625 V626 K632 E633E625-E629 PolarHBondContact O-N 3.47Å; E625-E629 VanDerWaalsContact O-N 3.1Å; V626-E629 PolarHBondContact O-N 3.3Å; E629-K632 WeakPolarHBondContact O-CB 3.5Å; E629-K632 PolarHBondContact O-N 3.15Å; E629-K632 IonicContact OE1-NZ 2.58Å; E629-K632 PolarHBondContact OE1-NZ 3.32Å; E629-K632 IonicContact OE2-NZ 2.76Å; E629-K632 PolarHBondContact OE2-NZ 2.75Å; E629-E633 PolarHBondContact O-N 3.31Å
630Q98.1Very high98.1Very high98 Ų98104.6 Ų104.646%0.45850%0.504SS..Hα-helixtrans-60.6-43.9170.5-72.7177.72.100112.6V626 K632 E633 L634V626-Q630 HydrophobicContact CG1-CG 4.41Å; V626-Q630 WeakPolarHBondContact O-CG 3.25Å; V626-Q630 PolarHBondContact O-N 2.89Å; Q630-K632 VanDerWaalsContact C-N 3.29Å; Q630-K632 PolarHBondContact O-N 3.02Å; Q630-E633 PolarHBondContact O-N 3.04Å; Q630-L634 VanDerWaalsContact O-CB 3.3Å; Q630-L634 WeakPolarHBondContact O-CB 3.42Å; Q630-L634 VanDerWaalsContact O-CG 3.25Å; Q630-L634 WeakPolarHBondContact O-CG 3.13Å; Q630-L634 PolarHBondContact O-N 3.06Å
631I98.4Very high98Very high117 Ų117104.1 Ų104.160%0.650%0.499SS*.Hα-helixtrans-61.6-40.1175.2-72.1163.6000110.7L627 K628 F635L627-I631 WeakPolarHBondContact O-CB 3.42Å; L627-I631 WeakPolarHBondContact O-CD1 3.46Å; L627-I631 WeakPolarHBondContact O-CG1 3.43Å; L627-I631 PolarHBondContact O-N 2.82Å; K628-I631 PolarHBondContact O-N 3.01Å; I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.26Å; I631-F635 PolarHBondContact O-N 3.3Å
632K98.5Very high98Very high114 Ų114104.1 Ų104.150%0.49650%0.504SS..Hα-helixtrans-66.7-46.4177.7167.1165157-85.10112.5K628 E629 Q630 F635 E636K628-K632 WeakPolarHBondContact O-CB 3.09Å; K628-K632 PolarHBondContact O-N 3.33Å; E629-K632 WeakPolarHBondContact O-CB 3.5Å; E629-K632 PolarHBondContact O-N 3.15Å; E629-K632 IonicContact OE1-NZ 2.58Å; E629-K632 PolarHBondContact OE1-NZ 3.32Å; E629-K632 IonicContact OE2-NZ 2.76Å; E629-K632 PolarHBondContact OE2-NZ 2.75Å; Q630-K632 VanDerWaalsContact C-N 3.29Å; Q630-K632 PolarHBondContact O-N 3.02Å; K632-F635 PolarHBondContact O-N 3.31Å; K632-E636 PolarHBondContact O-N 2.86Å
633E98.4Very high97.9Very high118 Ų118105.3 Ų105.355%0.55150%0.503SS*.Hα-helixtrans-61.7-45.7174.7-167.2-160.5151.700111.1E629 Q630 F635 E636 R637E629-E633 PolarHBondContact O-N 3.31Å; Q630-E633 PolarHBondContact O-N 3.04Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.14Å; E633-E636 PolarHBondContact O-N 3.46Å; E633-R637 VanDerWaalsContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CB 3.27Å; E633-R637 PolarHBondContact O-N 3.35Å
634L98.5Very high97.9Very high114 Ų114104.2 Ų104.260%0.59750%0.498SS*.Hα-helixtrans-61.9-37.9176.8-74.9170.6000112.2Q630 N638Q630-L634 VanDerWaalsContact O-CB 3.3Å; Q630-L634 WeakPolarHBondContact O-CB 3.42Å; Q630-L634 VanDerWaalsContact O-CG 3.25Å; Q630-L634 WeakPolarHBondContact O-CG 3.13Å; Q630-L634 PolarHBondContact O-N 3.06Å; L634-N638 VanDerWaalsContact O-CB 3.25Å; L634-N638 WeakPolarHBondContact O-CB 3.22Å; L634-N638 PolarHBondContact O-N 2.93Å
635F98.2Very high97.6Very high155 Ų155105 Ų10568%0.6850%0.5SS*.Hα-helixtrans-68.1-45.3176.8-172.5-90.8000112.1I631 K632 E633 N638 S639I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.26Å; I631-F635 PolarHBondContact O-N 3.3Å; K632-F635 PolarHBondContact O-N 3.31Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.14Å; F635-N638 PolarHBondContact O-N 2.82Å; F635-S639 PolarHBondContact O-N 3.37Å
636E98.5Very high97.5Very high132 Ų132102.7 Ų102.762%0.61750%0.5SS*.Hα-helixtrans-63.1-44.9175.7-178.7162.7-147.500111.4K632 E633 N638 S639 V640K632-E636 PolarHBondContact O-N 2.86Å; E633-E636 PolarHBondContact O-N 3.46Å; E636-N638 VanDerWaalsContact C-N 3.31Å; E636-N638 PolarHBondContact O-N 3.03Å; E636-S639 PolarHBondContact O-N 3.35Å; E636-V640 WeakPolarHBondContact O-CG2 3.32Å; E636-V640 PolarHBondContact O-N 2.88Å
637R98.2Very high97.2Very high153 Ų153102.8 Ų102.858%0.57750%0.5SS*.Hα-helixtrans-58.7-41.7173.9-172-176-172.990.59.7112E633 V640 L641E633-R637 VanDerWaalsContact O-CB 3.22Å; E633-R637 WeakPolarHBondContact O-CB 3.27Å; E633-R637 PolarHBondContact O-N 3.35Å; R637-V640 PolarHBondContact O-N 2.9Å; R637-L641 HydrophobicContact CG-CD1 4.23Å; R637-L641 WeakPolarHBondContact O-CG 3.12Å; R637-L641 PolarHBondContact O-N 2.72Å
638N97.4Very high96.9Very high85 Ų85103.9 Ų103.946%0.45551%0.506SS..Hα-helixtrans-65.9-45176.9-162.12.4000110.8L634 F635 E636 V640 L641 E642L634-N638 VanDerWaalsContact O-CB 3.25Å; L634-N638 WeakPolarHBondContact O-CB 3.22Å; L634-N638 PolarHBondContact O-N 2.93Å; F635-N638 PolarHBondContact O-N 2.82Å; E636-N638 VanDerWaalsContact C-N 3.31Å; E636-N638 PolarHBondContact O-N 3.03Å; N638-V640 VanDerWaalsContact C-N 3.27Å; N638-V640 PolarHBondContact O-N 2.91Å; N638-L641 CarbonylContact O-C 3.51Å; N638-L641 WeakPolarHBondContact O-CA 3.23Å; N638-L641 PolarHBondContact O-N 2.86Å; N638-E642 WeakPolarHBondContact O-CG 3.43Å; N638-E642 PolarHBondContact O-N 2.97Å
639S98.2Very high96.4Very high45 Ų45104.9 Ų104.932%0.31551%0.51SS..Hα-helixtrans-60.7-32.7176.1-171.50000113.6F635 E636 R643F635-S639 PolarHBondContact O-N 3.37Å; E636-S639 PolarHBondContact O-N 3.35Å; S639-R643 WeakPolarHBondContact O-CB 3.31Å; S639-R643 PolarHBondContact O-N 3.08Å
640V97.4Very high95.7Very high51 Ų51104.4 Ų104.431%0.30952%0.518SS..Hα-helixtrans-66.5-50169.4173.10000110.7E636 R637 N638 E642 R643 E644E636-V640 WeakPolarHBondContact O-CG2 3.32Å; E636-V640 PolarHBondContact O-N 2.88Å; R637-V640 PolarHBondContact O-N 2.9Å; N638-V640 VanDerWaalsContact C-N 3.27Å; N638-V640 PolarHBondContact O-N 2.91Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.4Å; V640-R643 WeakPolarHBondContact O-CB 3.28Å; V640-R643 PolarHBondContact O-N 2.95Å; V640-R643 VanDerWaalsContact O-N 3.16Å; V640-E644 HydrophobicContact CG1-CG 4.43Å; V640-E644 WeakPolarHBondContact O-CG 3.47Å; V640-E644 PolarHBondContact O-N 2.77Å
641L97.6Very high94.9Very high73 Ų73106 Ų10638%0.38253%0.529SS..Hα-helixtrans-63.5-32.8179.2-71.5168.9000113.3R637 N638 N645R637-L641 HydrophobicContact CG-CD1 4.23Å; R637-L641 WeakPolarHBondContact O-CG 3.12Å; R637-L641 PolarHBondContact O-N 2.72Å; N638-L641 CarbonylContact O-C 3.51Å; N638-L641 WeakPolarHBondContact O-CA 3.23Å; N638-L641 PolarHBondContact O-N 2.86Å; L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.36Å; L641-N645 PolarHBondContact O-N 3.25Å; L641-N645 PolarHBondContact O-ND2 2.96Å
642E96.2Very high93.6Very high120 Ų120102.2 Ų102.256%0.56152%0.515SS*.Hα-helixtrans-66.7-43.1172.9-75.1-178.5144.500111.3N638 V640 N645 A646N638-E642 WeakPolarHBondContact O-CG 3.43Å; N638-E642 PolarHBondContact O-N 2.97Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.4Å; E642-N645 PolarHBondContact O-N 2.98Å; E642-A646 WeakPolarHBondContact O-CB 3.33Å; E642-A646 PolarHBondContact O-N 3.35Å
643R96.9Very high91.7Very high152 Ų152100.7 Ų100.757%0.57451%0.513SS*.Hα-helixtrans-65.1-43.6176-166.3-173.2-50.4135.513.6111.4S639 V640 A646 V647S639-R643 WeakPolarHBondContact O-CB 3.31Å; S639-R643 PolarHBondContact O-N 3.08Å; V640-R643 WeakPolarHBondContact O-CB 3.28Å; V640-R643 PolarHBondContact O-N 2.95Å; V640-R643 VanDerWaalsContact O-N 3.16Å; R643-A646 PolarHBondContact O-N 3.35Å; R643-V647 WeakPolarHBondContact O-CG2 3.3Å; R643-V647 PolarHBondContact O-N 3.22Å
644E96Very high90.1Very high102 Ų10299.5 Ų99.548%0.47752%0.517SS..Hα-helixtrans-62.6-43.2172.8-72.4178176.800111.2V640 A646 V647 L648V640-E644 HydrophobicContact CG1-CG 4.43Å; V640-E644 WeakPolarHBondContact O-CG 3.47Å; V640-E644 PolarHBondContact O-N 2.77Å; E644-A646 PolarHBondContact O-N 3.22Å; E644-V647 PolarHBondContact O-N 3.34Å; E644-L648 WeakPolarHBondContact O-CB 3.41Å; E644-L648 VanDerWaalsContact O-CG 3.24Å; E644-L648 WeakPolarHBondContact O-CG 3.31Å; E644-L648 PolarHBondContact O-N 3.4Å
645N93Very high88.3Confident79 Ų7999.6 Ų99.642%0.42252%0.515SS..Hα-helixtrans-64.6-35.9174.5-91.1-90.5000112.8L641 E642 K649L641-N645 VanDerWaalsContact O-CB 3.25Å; L641-N645 WeakPolarHBondContact O-CB 3.36Å; L641-N645 PolarHBondContact O-N 3.25Å; L641-N645 PolarHBondContact O-ND2 2.96Å; E642-N645 PolarHBondContact O-N 2.98Å; N645-K649 VanDerWaalsContact O-CB 3.23Å; N645-K649 WeakPolarHBondContact O-CB 3.36Å; N645-K649 WeakPolarHBondContact O-CG 3.25Å; N645-K649 PolarHBondContact O-N 2.84Å
646A94.1Very high86.6Confident60 Ų6097.8 Ų97.850%0.49651%0.508SS..Hα-helixtrans-67-41.7175.800000111.5E642 R643 E644 K649 S650E642-A646 WeakPolarHBondContact O-CB 3.33Å; E642-A646 PolarHBondContact O-N 3.35Å; R643-A646 PolarHBondContact O-N 3.35Å; E644-A646 PolarHBondContact O-N 3.22Å; A646-K649 PolarHBondContact O-N 3.15Å; A646-S650 PolarHBondContact O-N 3.47Å; A646-S650 PolarHBondContact O-OG 2.75Å
647V93.3Very high84.8Confident72 Ų7296 Ų9644%0.43650%0.503SS..Hα-helixtrans-66.6-44.1173.3171.20000111.2R643 E644 K649 S650 L651R643-V647 WeakPolarHBondContact O-CG2 3.3Å; R643-V647 PolarHBondContact O-N 3.22Å; E644-V647 PolarHBondContact O-N 3.34Å; V647-K649 VanDerWaalsContact C-N 3.33Å; V647-K649 PolarHBondContact O-N 2.84Å; V647-S650 PolarHBondContact O-N 3.47Å; V647-S650 PolarHBondContact O-OG 2.84Å; V647-S650 VanDerWaalsContact O-OG 3.05Å; V647-L651 HydrophobicContact CG1-CD1 3.64Å; V647-L651 HydrophobicContact CG1-CG 4.23Å; V647-L651 WeakPolarHBondContact O-CB 3.36Å; V647-L651 VanDerWaalsContact O-CG 3.3Å; V647-L651 WeakPolarHBondContact O-CG 3.4Å; V647-L651 PolarHBondContact O-N 3.4Å
648L92.2Very high83.1Confident111 Ų11192.1 Ų92.158%0.58150%0.499SS*.Hα-helixtrans-64.8-36176.3-72.5169.7000111.8E644 A652E644-L648 WeakPolarHBondContact O-CB 3.41Å; E644-L648 VanDerWaalsContact O-CG 3.24Å; E644-L648 WeakPolarHBondContact O-CG 3.31Å; E644-L648 PolarHBondContact O-N 3.4Å; L648-A652 WeakPolarHBondContact O-CA 3.07Å; L648-A652 WeakPolarHBondContact O-CB 3.48Å; L648-A652 PolarHBondContact O-N 2.76Å
649K87.8Confident81.4Confident149 Ų14992.3 Ų92.365%0.64850%0.497SS*.Hα-helixtrans-71-27.3174.5-76.7170.7-1791780113.7N645 A646 V647N645-K649 VanDerWaalsContact O-CB 3.23Å; N645-K649 WeakPolarHBondContact O-CB 3.36Å; N645-K649 WeakPolarHBondContact O-CG 3.25Å; N645-K649 PolarHBondContact O-N 2.84Å; A646-K649 PolarHBondContact O-N 3.15Å; V647-K649 VanDerWaalsContact C-N 3.33Å; V647-K649 PolarHBondContact O-N 2.84Å
650S83.7Confident79.6Confident93 Ų9395.7 Ų95.765%0.6551%0.511SS*.Hα-helixtrans-87.1-26.4175.865.70000113.3A646 V647A646-S650 PolarHBondContact O-N 3.47Å; A646-S650 PolarHBondContact O-OG 2.75Å; V647-S650 PolarHBondContact O-N 3.47Å; V647-S650 PolarHBondContact O-OG 2.84Å; V647-S650 VanDerWaalsContact O-OG 3.05Å
651L79.9Confident77.9Confident131 Ų13198 Ų9869%0.68653%0.525SS*.Hα-helixtrans-89.3-26.3174.8-64.9178.9000113.6V647 N653V647-L651 HydrophobicContact CG1-CD1 3.64Å; V647-L651 HydrophobicContact CG1-CG 4.23Å; V647-L651 WeakPolarHBondContact O-CB 3.36Å; V647-L651 VanDerWaalsContact O-CG 3.3Å; V647-L651 WeakPolarHBondContact O-CG 3.4Å; V647-L651 PolarHBondContact O-N 3.4Å; L651-N653 PolarHBondContact O-N 3.34Å
652A71.7Confident76.2Confident38 Ų3897.6 Ų97.631%0.31453%0.532SS..SBendtrans-67.4105169.600000108.6L648 S654 L657L648-A652 WeakPolarHBondContact O-CA 3.07Å; L648-A652 WeakPolarHBondContact O-CB 3.48Å; L648-A652 PolarHBondContact O-N 2.76Å; A652-S654 PolarHBondContact O-N 3.15Å; A652-L657 HydrophobicContact CB-CD1 3.68Å
653N59.1Low74.3Confident82 Ų8297.6 Ų97.644%0.43953%0.532SS..  trans-46.8125.6-178.1179.70.1000110.5L651 E655 Q656 L657L651-N653 PolarHBondContact O-N 3.34Å; N653-E655 PolarHBondContact O-N 3.4Å; N653-E655 WeakPolarHBondContact OD1-CB 3.35Å; N653-E655 PolarHBondContact OD1-N 3.21Å; N653-Q656 HydrophobicContact CB-CG 4.35Å; N653-Q656 PolarHBondContact O-N 3.49Å; N653-L657 PolarHBondContact O-N 3.17Å
654S63.5Low72.4Confident93 Ų9394.7 Ų94.765%0.6553%0.532SS*.Hα-helixtrans-50-33.1178.1-174.50000112.4A652 Q656 S658A652-S654 PolarHBondContact O-N 3.15Å; S654-Q656 PolarHBondContact O-N 3.21Å; S654-S658 WeakPolarHBondContact O-CB 3.48Å; S654-S658 PolarHBondContact O-N 2.88Å; S654-S658 PolarHBondContact O-OG 3.4Å
655E61.9Low70.5Confident116 Ų11692 Ų9254%0.54253%0.532SS..Hα-helixtrans-63-36.3174.8-151.5-171.1118.600113N653 S658 Q659N653-E655 PolarHBondContact O-N 3.4Å; N653-E655 WeakPolarHBondContact OD1-CB 3.35Å; N653-E655 PolarHBondContact OD1-N 3.21Å; E655-S658 PolarHBondContact O-N 2.79Å; E655-Q659 WeakPolarHBondContact O-CB 3.5Å; E655-Q659 VanDerWaalsContact O-CG 3.23Å; E655-Q659 WeakPolarHBondContact O-CG 3.43Å; E655-Q659 PolarHBondContact O-N 2.93Å; E655-Q659 PolarHBondContact OE1-NE2 3.46Å
656Q62.9Low68.8Low117 Ų11791 Ų9155%0.54753%0.534SS..Hα-helixtrans-77.1-36.9-179.9-69.4-166-51.400113.2N653 S654 S658 Q659 L660N653-Q656 HydrophobicContact CB-CG 4.35Å; N653-Q656 PolarHBondContact O-N 3.49Å; S654-Q656 PolarHBondContact O-N 3.21Å; Q656-S658 VanDerWaalsContact C-N 3.29Å; Q656-Q659 PolarHBondContact O-N 3.23Å; Q656-L660 PolarHBondContact O-N 3.08Å
657L60.1Low66.9Low95 Ų9592.4 Ų92.450%0.49754%0.537SS..Hα-helixtrans-63.7-39.4169.6-90.378.2000110.8A652 N653 L660 T661A652-L657 HydrophobicContact CB-CD1 3.68Å; N653-L657 PolarHBondContact O-N 3.17Å; L657-L660 PolarHBondContact O-N 2.87Å; L657-T661 WeakPolarHBondContact O-CB 3.46Å; L657-T661 PolarHBondContact O-N 2.97Å; L657-T661 PolarHBondContact O-OG1 3.42Å
658S63.3Low65Low70 Ų7093 Ų9349%0.4954%0.544SS..Hα-helixtrans-63.1-44.9175.5-58.30000111.7S654 E655 Q656 T661 A662S654-S658 WeakPolarHBondContact O-CB 3.48Å; S654-S658 PolarHBondContact O-N 2.88Å; S654-S658 PolarHBondContact O-OG 3.4Å; E655-S658 PolarHBondContact O-N 2.79Å; Q656-S658 VanDerWaalsContact C-N 3.29Å; S658-T661 PolarHBondContact O-N 2.83Å; S658-A662 WeakPolarHBondContact O-CB 3.35Å; S658-A662 PolarHBondContact O-N 3.12Å
659Q60.3Low63.2Low90 Ų9090.9 Ų90.942%0.42154%0.543SS..Hα-helixtrans-66.1-38.1177-74.8174.531.900113.1E655 Q656 A662 Q663E655-Q659 WeakPolarHBondContact O-CB 3.5Å; E655-Q659 VanDerWaalsContact O-CG 3.23Å; E655-Q659 WeakPolarHBondContact O-CG 3.43Å; E655-Q659 PolarHBondContact O-N 2.93Å; E655-Q659 PolarHBondContact OE1-NE2 3.46Å; Q656-Q659 PolarHBondContact O-N 3.23Å; Q659-A662 PolarHBondContact O-N 2.87Å; Q659-Q663 WeakPolarHBondContact O-CB 3.5Å; Q659-Q663 WeakPolarHBondContact O-CG 3.28Å; Q659-Q663 PolarHBondContact O-N 3.27Å
660L60Low61.7Low116 Ų11688.8 Ų88.861%0.60754%0.542SS*.Hα-helixtrans-66-41.8173.6-104.670.4000111.8Q656 L657 A662 Q663 T664Q656-L660 PolarHBondContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 2.87Å; L660-A662 VanDerWaalsContact C-N 3.33Å; L660-A662 PolarHBondContact O-N 3.29Å; L660-Q663 PolarHBondContact O-N 2.93Å; L660-T664 PolarHBondContact O-N 3.3Å; L660-T664 PolarHBondContact O-OG1 3.33Å
661T63.2Low60.3Low99 Ų9987.5 Ų87.561%0.60754%0.537SS*.Hα-helixtrans-65.8-36.5178-52.90000111.6L657 S658 T664 G665L657-T661 WeakPolarHBondContact O-CB 3.46Å; L657-T661 PolarHBondContact O-N 2.97Å; L657-T661 PolarHBondContact O-OG1 3.42Å; S658-T661 PolarHBondContact O-N 2.83Å; T661-T664 PolarHBondContact O-OG1 3Å; T661-T664 VanDerWaalsContact O-OG1 3.08Å; T661-G665 PolarHBondContact O-N 3.44Å
662A60.4Low59.1Low65 Ų6584.7 Ų84.754%0.53753%0.533SS..Hα-helixtrans-66.6-38.4171.600000112.4S658 Q659 L660 G665 A666S658-A662 WeakPolarHBondContact O-CB 3.35Å; S658-A662 PolarHBondContact O-N 3.12Å; Q659-A662 PolarHBondContact O-N 2.87Å; L660-A662 VanDerWaalsContact C-N 3.33Å; L660-A662 PolarHBondContact O-N 3.29Å; A662-G665 PolarHBondContact O-N 3.4Å; A662-A666 WeakPolarHBondContact O-CB 3.4Å; A662-A666 PolarHBondContact O-N 2.98Å
663Q56.7Low58Low119 Ų11986.2 Ų86.256%0.55655%0.545SS*.Hα-helixtrans-72.3-34.2178.6-76.3-178.549.300113.8Q659 L660 G665 A666 T667Q659-Q663 WeakPolarHBondContact O-CB 3.5Å; Q659-Q663 WeakPolarHBondContact O-CG 3.28Å; Q659-Q663 PolarHBondContact O-N 3.27Å; L660-Q663 PolarHBondContact O-N 2.93Å; Q663-G665 VanDerWaalsContact C-N 3.35Å; Q663-A666 PolarHBondContact O-N 3.28Å; Q663-T667 WeakPolarHBondContact O-CB 3.38Å; Q663-T667 WeakPolarHBondContact O-CG2 3.48Å; Q663-T667 PolarHBondContact O-N 3.24Å; Q663-T667 PolarHBondContact O-OG1 3.39Å
664T58Low57.7Low92 Ų9286 Ų8656%0.56456%0.555SS**Hα-helixtrans-68.3-34.9172.650.20000111.8L660 T661 T667 S668L660-T664 PolarHBondContact O-N 3.3Å; L660-T664 PolarHBondContact O-OG1 3.33Å; T661-T664 PolarHBondContact O-OG1 3Å; T661-T664 VanDerWaalsContact O-OG1 3.08Å; T664-T667 WeakPolarHBondContact CA-OG1 3.49Å; T664-T667 PolarHBondContact O-OG1 3.04Å; T664-S668 WeakPolarHBondContact O-CB 3.44Å; T664-S668 PolarHBondContact O-N 3.03Å
665G56.5Low57.1Low46 Ų4686 Ų8647%0.47456%0.56SS.*Hα-helixtrans-61.9-49.1168.700000112.8T661 A662 Q663 A669T661-G665 PolarHBondContact O-N 3.44Å; A662-G665 PolarHBondContact O-N 3.4Å; Q663-G665 VanDerWaalsContact C-N 3.35Å; G665-A669 PolarHBondContact O-N 2.85Å
666A55.9Low56.6Low57 Ų5784.8 Ų84.847%0.47157%0.57SS.*Hα-helixtrans-66.2-41.4-17800000113.4A662 Q663 A669 V670A662-A666 WeakPolarHBondContact O-CB 3.4Å; A662-A666 PolarHBondContact O-N 2.98Å; Q663-A666 PolarHBondContact O-N 3.28Å; A666-A669 PolarHBondContact O-N 3.47Å; A666-V670 PolarHBondContact O-N 3.12Å
667T54.4Low56Low90 Ų9082.8 Ų82.855%0.55257%0.574SS**Hα-helixtrans-67.4-35.9-179.946.10000112.3Q663 T664 A669 V670 A671Q663-T667 WeakPolarHBondContact O-CB 3.38Å; Q663-T667 WeakPolarHBondContact O-CG2 3.48Å; Q663-T667 PolarHBondContact O-N 3.24Å; Q663-T667 PolarHBondContact O-OG1 3.39Å; T664-T667 WeakPolarHBondContact CA-OG1 3.49Å; T664-T667 PolarHBondContact O-OG1 3.04Å; T667-A669 PolarHBondContact O-N 3.43Å; T667-V670 PolarHBondContact O-N 3.49Å; T667-A671 PolarHBondContact O-N 3.22Å
668S54.4Low55.1Low85 Ų8585 Ų8559%0.59459%0.591SS**Hα-helixtrans-62.3-40.5174.8-162.10000112.5T664 A671 A672T664-S668 WeakPolarHBondContact O-CB 3.44Å; T664-S668 PolarHBondContact O-N 3.03Å; S668-A671 PolarHBondContact O-N 3.22Å; S668-A672 PolarHBondContact O-N 3.29Å
669A54.5Low54.3Low66 Ų6687.9 Ų87.955%0.54561%0.608SS.*Hα-helixtrans-65.7-39.8176.300000113.1G665 A666 T667 A672 A673G665-A669 PolarHBondContact O-N 2.85Å; A666-A669 PolarHBondContact O-N 3.47Å; T667-A669 PolarHBondContact O-N 3.43Å; A669-A672 PolarHBondContact O-N 3.13Å; A669-A673 PolarHBondContact O-N 3.37Å
670V55.7Low52.9Low104 Ų10487.3 Ų87.363%0.6363%0.627SS**Hα-helixtrans-69.9-37.3178176.60000111.6A666 T667 A672 A673 A674A666-V670 PolarHBondContact O-N 3.12Å; T667-V670 PolarHBondContact O-N 3.49Å; V670-A672 VanDerWaalsContact C-N 3.35Å; V670-A672 PolarHBondContact O-N 3.37Å; V670-A673 PolarHBondContact O-N 3.24Å; V670-A674 PolarHBondContact O-N 3.16Å
671A54.7Low51.7Low67 Ų6787 Ų8755%0.55463%0.634SS**Hα-helixtrans-62.3-40.4175.300000112.3T667 S668T667-A671 PolarHBondContact O-N 3.22Å; S668-A671 PolarHBondContact O-N 3.22Å
672A53Low50.3Low72 Ų7287.8 Ų87.860%0.59564%0.639SS**Hα-helixtrans-64.8-40.4175.300000112.6S668 A669 V670 A674 A675S668-A672 PolarHBondContact O-N 3.29Å; A669-A672 PolarHBondContact O-N 3.13Å; V670-A672 VanDerWaalsContact C-N 3.35Å; V670-A672 PolarHBondContact O-N 3.37Å; A672-A674 PolarHBondContact O-N 3.39Å; A672-A675 PolarHBondContact O-N 3.13Å
673A50.3Low49.1Very low69 Ų6990 Ų9057%0.5765%0.65SS**Hα-helixtrans-66.4-34.3179.600000113.3A669 V670 A675A669-A673 PolarHBondContact O-N 3.37Å; V670-A673 PolarHBondContact O-N 3.24Å; A673-A675 VanDerWaalsContact C-N 3.28Å; A673-A675 PolarHBondContact O-N 3.05Å
674A51.3Low48.1Very low79 Ų7988.7 Ų88.765%0.65366%0.66SS**Hα-helixtrans-68.1-23.8-178.700000114V670 A672 A676V670-A674 PolarHBondContact O-N 3.16Å; A672-A674 PolarHBondContact O-N 3.39Å; A674-A676 VanDerWaalsContact C-N 3.32Å; A674-A676 PolarHBondContact O-N 3.36Å
675A51.9Low47.6Very low91 Ų9190.4 Ų90.475%0.75267%0.673SS**THydrogen-bonded Turntrans-77.1-12.5-176.700000114.5A672 A673A672-A675 PolarHBondContact O-N 3.13Å; A673-A675 VanDerWaalsContact C-N 3.28Å; A673-A675 PolarHBondContact O-N 3.05Å
676A50.2Low46.6Very low92 Ų9291.5 Ų91.576%0.7668%0.684SS**THydrogen-bonded Turntrans-92.33.4-168.900000115.4A674A674-A676 VanDerWaalsContact C-N 3.32Å; A674-A676 PolarHBondContact O-N 3.36Å
677A51.8Low45.5Very low75 Ų7597.5 Ų97.562%0.6271%0.707SS**  trans-129.643.2-155.700000117.2
678T39.8Very low44.6Very low141 Ų141101.8 Ų101.887%0.86572%0.721SS**  trans-159.7126.7158.1-12.30000114.1
679P46.3Very low43.7Very low130 Ų130106.7 Ų106.784%0.84474%0.735SS**  trans-107.4139.4167.936.1-28.1000112.6
680G32.6Very low43Very low78 Ų78110.7 Ų110.780%0.80475%0.746SS**  trans165.1127.6170.900000116.1
681S34.3Very low41.9Very low110 Ų110114 Ų11477%0.76975%0.754SS**  trans-49.2161.1171.7540000115
682T33.9Very low41.5Very low116 Ų116116.2 Ų116.271%0.71276%0.763SS**  cis-167.9159.140.7-31.70000112.8
683S34.1Very low40.5Very low110 Ų110121.8 Ų121.877%0.76977%0.774SS**  trans55.1121151.356.30000121.6
684A37.2Very low39.9Very low92 Ų92124.1 Ų124.176%0.7678%0.783SS**  trans-87.4174.4156.300000110.3
685P46.5Very low39.2Very low129 Ų129129.4 Ų129.484%0.83879%0.794SS**  -143144.655.438-18.4000118.2
686G34.8Very low38.5Very low68 Ų68133.7 Ų133.770%0.70180%0.799SS**  59.6112128.700000122.2
687L34.1Very low38.1Very low183 Ų183135.4 Ų135.496%0.95880%0.802SS**  -136.8131.6120.9-85.6-175000109.4
688Q36.1Very low37.3Very low180 Ų180140 Ų14084%0.84181%0.811SS**  trans-100129.5170.6-66.6177.97.800109
689Q35.6Very low37.1Very low189 Ų189139.3 Ų139.388%0.88381%0.808SS**  trans-130.2101.8158.8-171.1154.24100109.2
690L38.5Very low36.4Very low149 Ų149142.1 Ų142.178%0.7881%0.81SS**  trans-71.5138.6175.8-74.3156.9000110.2
691H33.4Very low36.6Very low174 Ų174147.1 Ų147.181%0.80681%0.813SS**  trans-137.8143.8155.4-113.462.1000110.1
692P45.6Very low37Very low114 Ų114147.7 Ų147.774%0.7481%0.814SS**PPolyproline II helixtrans-88.2152.1-163.9-8.929.1000113.7
693K33Very low36.9Very low188 Ų188151.2 Ų151.282%0.81782%0.822SS**PPolyproline II helixtrans-65.7135.2167.4176.5178.8175.9177.20110.2
694P37.2Very low37Very low119 Ų119152 Ų15277%0.77382%0.823SS**PPolyproline II helixtrans-67.3139.9176.327.7-34.4000111.6
695Q36.3Very low36.8Very low190 Ų190156.5 Ų156.589%0.88883%0.828SS**PPolyproline II helixtrans-91.6141.1171.7-79.2-178.9-47.900111.3
696Q36.7Very low36.3Very low181 Ų181158.3 Ų158.385%0.84683%0.83SS**PPolyproline II helixtrans-82.1129173.3-177.9177.6-1.700109.5Q698Q696-Q698 PolarHBondContact O-N 3Å
697P41.9Very low36.2Very low128 Ų128162.3 Ų162.383%0.83184%0.835SS**PPolyproline II helixtrans-66.4127.8179-22.334.1000112.4
698Q35.2Very low36.6Very low172 Ų172157.6 Ų157.680%0.80482%0.822SS**  trans-106.2136.4172.1-167176.416.600108.8Q696 Q700Q696-Q698 PolarHBondContact O-N 3Å; Q698-Q700 PolarHBondContact O-N 3.23Å
699P35.8Very low36.6Very low125 Ų125152 Ų15281%0.81281%0.813SS**PPolyproline II helixtrans-69120.9-175.726.6-34.2000111.6
700Q32.8Very low36.7Very low189 Ų189151.6 Ų151.688%0.88381%0.811SS**PPolyproline II helixtrans-79.1131.7175.8-70.8-177.9-23.800111.4Q698Q698-Q700 PolarHBondContact O-N 3.23Å
701Q35.8Very low36.7Very low183 Ų183152.4 Ų152.486%0.85581%0.811SS**PPolyproline II helixtrans-79.3140.1161.1-68.5-175.1-1400109.7Q703Q701-Q703 PolarHBondContact O-N 3.13Å
702P42.3Very low37.1Very low123 Ų123149.7 Ų149.780%0.79981%0.809SS**  trans-73110.4174.129.1-32.9000110.6
703Q32.7Very low36.6Very low189 Ų189152.2 Ų152.288%0.88381%0.811SS**  trans-89.2105.4176.7-168.6177.21800110.2Q701 Q705Q701-Q703 PolarHBondContact O-N 3.13Å; Q703-Q705 PolarHBondContact O-N 3.48Å; Q703-Q705 VanDerWaalsContact O-N 3.13Å
704T36.1Very low37.3Very low128 Ų128149.2 Ų149.279%0.78581%0.81SS**  trans-74.1103.1-179-38.80000111L706T704-L706 PolarHBondContact O-N 3.22Å
705Q32.8Very low37.2Very low185 Ų185151 Ų15186%0.86481%0.813SS**  trans-73.8120.3175.7-169169.511.600110.5Q703 D707Q703-Q705 PolarHBondContact O-N 3.48Å; Q703-Q705 VanDerWaalsContact O-N 3.13Å; Q705-D707 PolarHBondContact O-N 3.43Å
706L36Very low37.8Very low168 Ų168147.5 Ų147.588%0.8881%0.805SS**  trans-84108.9175.2-74.7168.6000110T704T704-L706 PolarHBondContact O-N 3.22Å
707D32.5Very low38.3Very low152 Ų152145.5 Ų145.581%0.81381%0.805SS**  trans-81.7143.1166-17852.6000111.3Q705 G709Q705-D707 PolarHBondContact O-N 3.43Å; D707-G709 PolarHBondContact O-N 3.4Å
708A43.1Very low38.1Very low83 Ų83144.7 Ų144.769%0.68680%0.803SS**  trans-94.958.9-167.600000113.3Q710A708-Q710 PolarHBondContact O-NE2 3.39Å
709G36.2Very low38.4Very low63 Ų63144.9 Ų144.965%0.64983%0.834SS**PPolyproline II helixtrans-62.6134.217700000113.7D707D707-G709 PolarHBondContact O-N 3.4Å
710Q36Very low38.6Very low180 Ų180145.9 Ų145.984%0.84184%0.835SS**PPolyproline II helixtrans-63.9141.5-173.3-94.981.67900115.3A708 P712A708-Q710 PolarHBondContact O-NE2 3.39Å; Q710-P712 WeakPolarHBondContact O-CD 3.5Å
711Q39Very low38.9Very low166 Ų166143.6 Ų143.678%0.77683%0.832SS**PPolyproline II helixtrans-71.7124.6162.3173.2-169-17.100111.2
712P42.3Very low39Very low118 Ų118141.4 Ų141.477%0.76683%0.831SS**PPolyproline II helixtrans-83.4134.6164.732.2-31.2000111.1Q710Q710-P712 WeakPolarHBondContact O-CD 3.5Å
713Q36Very low38.8Very low167 Ų167142.5 Ų142.578%0.7883%0.833SS**PPolyproline II helixtrans-83.2150.9167-71.7-16413.300111.4N715Q713-N715 PolarHBondContact O-N 3.25Å
714P47.4Very low39.2Very low124 Ų124139.6 Ų139.681%0.80583%0.829SS**  trans-77.2104.6172.331.5-32.3000110.3
715N34.2Very low39.4Very low156 Ų156140.3 Ų140.383%0.83483%0.832SS**  trans-87.9134.2168.4-166.225.8000110.9Q713Q713-N715 PolarHBondContact O-N 3.25Å
716V48.7Very low39.9Very low117 Ų117137.1 Ų137.171%0.70983%0.83SS**  trans-99.8141.9173.3-69.20000109.8
717T47.5Very low40.2Very low139 Ų139134.8 Ų134.885%0.85383%0.826SS**  trans178.1149.7142.1-78.40000110.3
718S38.5Very low40.9Very low112 Ų112133.3 Ų133.378%0.78383%0.827SS**  trans-52.8152.8-174.2-39.60000117.7
719A41.4Very low40.7Very low175 Ų175137.9 Ų137.9100%1.44684%0.84SS**  -130.50125.500000107.9

Retrieved 719 of 719 residues in 238.1 ms (Link to these results)