A0A093H1H1_STRCA Loading...

Homeobox protein Nkx-2.5

AlphaFold DB , UniProt , Accession A0A093H1H1, Species STRCA (Struthio camelus australis), Gene n/a, Length 296 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
1M45.3Very low51Low239 Ų239142.8 Ų142.8100%1.17781%0.812SS**  0119.60-72.9162.616100107.5
2F43.8Very low52.4Low206 Ų206135.4 Ų135.490%0.90478%0.776SS**PPolyproline II helixtrans-97.2133.2175.1-72.2-79.6000109.6
3P55.3Low53Low123 Ų123133.2 Ų133.280%0.79977%0.765SS**PPolyproline II helixtrans-69.7135.3174.928.9-32.8000110.2
4S40.8Very low53.7Low111 Ų111134.6 Ų134.678%0.77676%0.758SS**PPolyproline II helixtrans-74140.4174.2-67.30000110.7V6S4-V6 PolarHBondContact O-N 3.23Å
5P51Low54.4Low125 Ų125131.3 Ų131.381%0.81274%0.738SS**PPolyproline II helixtrans-66.3132175.927.3-33.5000110.8T7P5-T7 PolarHBondContact O-N 3.47Å
6V53.8Low55.1Low131 Ų131130.3 Ų130.379%0.79473%0.729SS**PPolyproline II helixtrans-62.3123.5172.4-85.30000110.2S4 T8S4-V6 PolarHBondContact O-N 3.23Å; V6-T8 PolarHBondContact O-N 3.29Å
7T47.3Very low55.5Low128 Ų128129.9 Ų129.979%0.78572%0.724SS**  trans-78103175.7-163.90000109.3P5 T9P5-T7 PolarHBondContact O-N 3.47Å; T7-T9 PolarHBondContact O-N 2.92Å
8T52.5Low55.3Low123 Ų123128.4 Ų128.476%0.75571%0.714SS**  trans-73.891.8176.3440000109.2V6 P10V6-T8 PolarHBondContact O-N 3.29Å; T8-P10 WeakPolarHBondContact O-CD 3Å
9T57.4Low55Low102 Ų102129.2 Ų129.263%0.62672%0.716SS**  trans-63.8122.7173.750.20000109.4T7 F11T7-T9 PolarHBondContact O-N 2.92Å; T9-F11 PolarHBondContact O-N 2.98Å
10P65.5Low54.7Low124 Ų124131.4 Ų131.481%0.80572%0.721SS**SBendtrans-79.129.4-172.634.8-39.2000113.4T8T8-P10 WeakPolarHBondContact O-CD 3Å
11F47.7Very low54.5Low159 Ų159131.9 Ų131.970%0.69772%0.718SS**  trans-138.8112.9174.4-92.8-89.4000107T9T9-F11 PolarHBondContact O-N 2.98Å
12S68.1Low54.5Low54 Ų54129.6 Ų129.638%0.37870%0.704SS.*  trans-86.4143.7169.2-171.50000108.9K14 D15S12-K14 PolarHBondContact O-N 3.1Å; S12-K14 VanDerWaalsContact O-N 3.13Å; S12-K14 PolarHBondContact OG-N 2.92Å; S12-D15 WeakPolarHBondContact CA-OD2 3.44Å; S12-D15 VanDerWaalsContact CB-OD2 3.28Å; S12-D15 WeakPolarHBondContact CB-OD2 3.35Å; S12-D15 PolarHBondContact N-OD2 3.19Å; S12-D15 WeakPolarHBondContact O-CB 2.98Å; S12-D15 PolarHBondContact O-N 3.24Å
13V61Low54.6Low106 Ų106128.8 Ų128.864%0.64270%0.703SS**Hα-helixtrans-58.9-26172.1-178.90000110.9D15 I16 L17V13-D15 VanDerWaalsContact C-N 3.27Å; V13-D15 PolarHBondContact O-N 3.46Å; V13-I16 PolarHBondContact O-N 3.17Å; V13-L17 PolarHBondContact O-N 3.1Å
14K62.1Low53.8Low153 Ų153127.9 Ų127.967%0.66570%0.7SS**Hα-helixtrans-61.6-31.9174-58.7-176.4179.5-174.90113.1S12 I16 L17 N18S12-K14 PolarHBondContact O-N 3.1Å; S12-K14 VanDerWaalsContact O-N 3.13Å; S12-K14 PolarHBondContact OG-N 2.92Å; K14-I16 PolarHBondContact O-N 3.35Å; K14-L17 PolarHBondContact O-N 3.44Å; K14-N18 WeakPolarHBondContact O-CB 3.43Å; K14-N18 PolarHBondContact O-N 3.14Å
15D64Low53.6Low85 Ų85126 Ų12646%0.45570%0.699SS.*Hα-helixtrans-71.3-24.2-178.4-50.8-33.7000111.9S12 V13S12-D15 WeakPolarHBondContact CA-OD2 3.44Å; S12-D15 VanDerWaalsContact CB-OD2 3.28Å; S12-D15 WeakPolarHBondContact CB-OD2 3.35Å; S12-D15 PolarHBondContact N-OD2 3.19Å; S12-D15 WeakPolarHBondContact O-CB 2.98Å; S12-D15 PolarHBondContact O-N 3.24Å; V13-D15 VanDerWaalsContact C-N 3.27Å; V13-D15 PolarHBondContact O-N 3.46Å
16I66.6Low52.9Low115 Ų115128.6 Ų128.659%0.5970%0.704SS**Hα-helixtrans-79.1-44.9176.8-56.7172.3000109.9V13 K14 L19V13-I16 PolarHBondContact O-N 3.17Å; K14-I16 PolarHBondContact O-N 3.35Å; I16-L19 PolarHBondContact O-N 3.49Å
17L60.9Low52.1Low124 Ų124127.1 Ų127.165%0.64971%0.706SS**Hα-helixtrans-72.2-35-177.2-63173.9000112.8V13 K14 L19V13-L17 PolarHBondContact O-N 3.1Å; K14-L17 PolarHBondContact O-N 3.44Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.44Å
18N51.7Low52.1Low103 Ų103127 Ų12755%0.55171%0.708SS**THydrogen-bonded Turntrans-73.1-17.4178.3-76.3-11.9000113.8K14 E20K14-N18 WeakPolarHBondContact O-CB 3.43Å; K14-N18 PolarHBondContact O-N 3.14Å; N18-E20 VanDerWaalsContact C-N 3.31Å; N18-E20 PolarHBondContact O-N 3.49Å
19L49.7Very low51.6Low144 Ų144130.2 Ų130.275%0.75472%0.716SS**THydrogen-bonded Turntrans-74.7-21.8-177.5-168.759.7000112.9I16 L17I16-L19 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.29Å; L17-L19 PolarHBondContact O-N 3.44Å
20E49.6Very low50.8Low172 Ų172132.8 Ų132.880%0.80472%0.721SS**SBendtrans-82.7-21-179.9-159153.394.100112.7N18 H22N18-E20 VanDerWaalsContact C-N 3.31Å; N18-E20 PolarHBondContact O-N 3.49Å; E20-H22 VanDerWaalsContact C-N 3.33Å; E20-H22 PolarHBondContact O-N 3.38Å
21Q50.5Low49.4Very low143 Ų143133.7 Ų133.767%0.66872%0.718SS**THydrogen-bonded Turntrans-80.6-5.5-171.5-160.716310.100115
22H45.1Very low48.8Very low191 Ų191130.9 Ų130.988%0.88472%0.718SS**THydrogen-bonded Turntrans-103.915.5176.7-98.7-65.6000114.6E20E20-H22 VanDerWaalsContact C-N 3.33Å; E20-H22 PolarHBondContact O-N 3.38Å
23Q45.8Very low47.6Very low188 Ų188132.9 Ų132.988%0.87974%0.738SS**  trans-123.540.1173.6-152.9172.9117.400113.3
24S38.1Very low46.4Very low105 Ų105136.2 Ų136.273%0.73475%0.751SS**  trans-123.790.7172.348.90000110.6
25G36.3Very low45.1Very low72 Ų72133.8 Ų133.874%0.74275%0.754SS**  trans-139.711.3-171.100000116.2
26L36.4Very low44.4Very low179 Ų179135.5 Ų135.594%0.93777%0.772SS**SBendtrans-143.8133164-73.2-179.4000109.3
27A37.7Very low43.7Very low99 Ų99135.2 Ų135.282%0.81878%0.778SS**  trans-90.5168.8-174.700000112
28P47.2Very low43Very low127 Ų127135.2 Ų135.283%0.82579%0.788SS**  trans-98164.8-155.538.1-36.2000114.6
29M43.1Very low42.5Very low190 Ų190136.2 Ų136.294%0.93680%0.802SS**  trans-132.3114.1153.9-162.4170.3-172.100110.1
30E39.3Very low42.4Very low155 Ų155137.2 Ų137.272%0.72481%0.805SS**  trans-64.1140.9167.2-92.2-83.9141.900110.9
31L36.2Very low42.2Very low144 Ų144136.9 Ų136.975%0.75481%0.807SS**  173.1146.997.7-105.5119.9000112.9
32S36.1Very low41.6Very low100 Ų100135.6 Ų135.670%0.69981%0.814SS**  trans68.3103.8149.8-61.70000120.5
33A41.3Very low41.3Very low95 Ų95132.5 Ų132.579%0.78581%0.809SS**  trans-63.2154.2149.300000112
34L36.2Very low40.8Very low177 Ų177131.5 Ų131.593%0.92780%0.802SS**  trans-174153.5134.6-102.5169.4000112
35S36Very low41Very low102 Ų102136.1 Ų136.171%0.71381%0.809SS**  trans7089.9160.1-1530000119.9
36S49.2Very low41Very low120 Ų120138.8 Ų138.884%0.83980%0.802SS**  trans-73.8136.1138.1-59.20000109.6
37P51.2Low40.7Very low110 Ų110139.2 Ų139.271%0.71480%0.799SS**  trans-103.9109.7158.232.5-24.4000110.7
38S47.2Very low40.5Very low123 Ų123139.4 Ų139.486%0.8679%0.791SS**  trans-61.2133.6149.6-70.20000108.4
39C40.8Very low39.7Very low124 Ų124144.2 Ų144.284%0.83879%0.794SS**  trans-131.7140.5158.555.90000109.8
40M47.4Very low39.3Very low166 Ų166139.8 Ų139.882%0.81878%0.782SS**  trans-95.7155.1-167.4-66-112-71.500111.5
41L45.9Very low39Very low164 Ų164137.2 Ų137.286%0.85979%0.787SS**  trans36.3115.6140-158.874.7000118.3
42S38.1Very low39Very low117 Ų117138.9 Ų138.982%0.81879%0.791SS**  trans-129.397.7167.2-57.20000111.6
43T36.8Very low40.2Very low125 Ų125138.7 Ų138.777%0.76779%0.787SS**  trans4.9113.5155.255.90000119.7
44F37.3Very low40.5Very low168 Ų168140.4 Ų140.474%0.73779%0.79SS**  15.3115.2119.5-152.7-96.9000117.2Q46F44-Q46 HydrophobicContact CD1-CB 4.26Å; F44-Q46 HydrophobicContact CE1-CB 3.59Å; F44-Q46 HydrophobicContact CZ-CB 3.89Å
45K41.7Very low40.2Very low202 Ų202135.8 Ų135.888%0.87879%0.786SS**  trans-135.4109.3148.7-123.4-170.5179.8-163.60109.6
46Q35.3Very low40.5Very low128 Ų128137.9 Ų137.960%0.59879%0.788SS**  trans-102.8120.8173.8178.3-175.11500106.4F44F44-Q46 HydrophobicContact CD1-CB 4.26Å; F44-Q46 HydrophobicContact CE1-CB 3.59Å; F44-Q46 HydrophobicContact CZ-CB 3.89Å
47E30.6Very low40.4Very low187 Ų187138 Ų13887%0.87479%0.785SS**  trans-111.9129160.7-88.9-172115.600109
48T33.8Very low39.7Very low104 Ų104140.1 Ų140.164%0.63879%0.786SS**  trans-134.5111.2-179-28.30000105.7
49Y30.8Very low39.3Very low227 Ų227140 Ų14089%0.8978%0.775SS**  trans-148.8111.3159.5-139.7-93.3000113
50S33.3Very low39.2Very low98 Ų98144 Ų14469%0.68577%0.773SS**  trans-7151157.7-48.90000123
51A34.4Very low38.8Very low101 Ų101142.7 Ų142.784%0.83577%0.769SS**  trans109.6100.4131.500000119.8
52E35.1Very low38.2Very low179 Ų179143.1 Ų143.184%0.83677%0.766SS**  trans-82176.5145.4-91.5-106.1114.300110.4
53P61.6Low38.2Very low96 Ų96144.9 Ų144.962%0.62377%0.766SS**  cis-129.5-167.5-37.337.9-20000110.9
54P48.3Very low38.8Very low131 Ų131144 Ų14485%0.85176%0.762SS**  -155168.686.240-20.9000117
55G30.2Very low38.6Very low80 Ų80144.1 Ų144.183%0.82577%0.765SS**  trans126.798.5142.900000119.8
56L41.1Very low38.2Very low146 Ų146137.4 Ų137.476%0.76475%0.748SS**  trans-74.9161.2161.6-101.9167.4000111.7E58L56-E58 HydrophobicContact CD2-CB 4.35Å
57P46.6Very low38.7Very low121 Ų121140.1 Ų140.179%0.78676%0.76SS**  -137.9154.672.131.8-12.2000114.2
58E37.4Very low39.5Very low155 Ų155136.6 Ų136.672%0.72475%0.753SS**  cis87.2125.436.6-166.2168.6155.400115.7L56L56-E58 HydrophobicContact CD2-CB 4.35Å
59L38.9Very low39.7Very low122 Ų122136.8 Ų136.864%0.63977%0.765SS**  trans141103.9159.9-77.4166.4000109.9
60R38.6Very low39.9Very low208 Ų208135.7 Ų135.779%0.78577%0.765SS**  64144.585.7104.3173.7177.6-133.4-7113.8
61D38.2Very low40.1Very low138 Ų138136.4 Ų136.474%0.73877%0.77SS**  cis-168.5166.6-10.4-129.4-33.9000110.4
62E34.2Very low40.2Very low172 Ų172136.1 Ų136.180%0.80477%0.768SS**  trans75.9151.3151.4-68.6-79.563.900125.3
63L37.6Very low40.7Very low155 Ų155137.4 Ų137.481%0.81277%0.771SS**  trans-79.7-176.4-172.2-14241.5000112.3
64P50Low40Very low106 Ų106138.9 Ų138.969%0.68878%0.78SS**  cis-141-154.212.142-16.9000115.1
65E32.5Very low39.2Very low171 Ų171138.3 Ų138.380%0.79978%0.779SS**  cis-158.7168.17.4-145.9-164.1127.300114.1
66A33.5Very low39.6Very low61 Ų61139.6 Ų139.650%0.50478%0.776SS.*  trans47.2118.5141.100000126.3
67H46.1Very low39.7Very low184 Ų184142.1 Ų142.185%0.85278%0.777SS**  90.1152.6127.6-72.3-38.3000123.1
68P47.5Very low39.4Very low114 Ų114145.6 Ų145.674%0.7478%0.776SS**  trans-121.8161.6-144.241.8-29.5000116.2
69A36.9Very low39.3Very low107 Ų107143.9 Ų143.988%0.88478%0.775SS**  trans-124.4140.8168.900000112.5
70K35.9Very low39.1Very low204 Ų204147.4 Ų147.489%0.88779%0.786SS**  trans-106.9138-176.6-54.6164.5-178170.80110.2
71S36.6Very low38.8Very low114 Ų114142.3 Ų142.380%0.79778%0.782SS**  trans176.1113.6144.647.20000108.9
72A38Very low38.6Very low95 Ų95145.8 Ų145.879%0.78579%0.786SS**  89.780.865.700000113.8
73F45.8Very low39.3Very low205 Ų205144.2 Ų144.290%0.89979%0.788SS**  trans-93.5133.5134.2-62.7-82.9000105.5
74P46Very low39.4Very low127 Ų127144.8 Ų144.883%0.82579%0.786SS**  -145.1156.76638.4-20.6000116.2
75S32.4Very low39.5Very low119 Ų119148.2 Ų148.283%0.83280%0.795SS**  trans-159.6137.1168.6-171.30000108.7
76S38.2Very low39.8Very low108 Ų108146.4 Ų146.476%0.75579%0.791SS**  cis-142.8170.2-4.363.30000111.1
77Y41.9Very low39.9Very low198 Ų198148.8 Ų148.878%0.77680%0.804SS**  trans-120.4132.517345.1-87.9000108.4
78Y41.4Very low39.9Very low195 Ų195144.4 Ų144.477%0.76580%0.8SS**  trans166.1117.7150.8-113.3-97.3000106.3
79V35.2Very low39.6Very low118 Ų118148.7 Ų148.772%0.71581%0.807SS**  7093.455.3-177.10000113.4
80K34.2Very low40Very low197 Ų197150.3 Ų150.386%0.85780%0.801SS**  trans172152.1149.5-100.6165.5-179178.10107.6
81S32.7Very low40.6Very low101 Ų101146.1 Ų146.171%0.70680%0.797SS**  cis-146.2158.6-1.2-1770000109.6V83S81-V83 PolarHBondContact O-N 3.49Å
82Y34.3Very low40.9Very low211 Ų211149.9 Ų149.983%0.82780%0.799SS**  trans-47.6134.3153.9-113.3-119.6000110.4
83V48.1Very low41.4Very low139 Ų139147.6 Ų147.684%0.84278%0.78SS**  trans-134.2124.3142-81.10000108.7S81S81-V83 PolarHBondContact O-N 3.49Å
84E39.7Very low41.7Very low166 Ų166143 Ų14378%0.77677%0.765SS**  trans-70.2135.1174.9-174.2173162.100109.5
85M51.8Low42Very low178 Ų178146.3 Ų146.388%0.87777%0.766SS**  trans-134.699170.4-98-75.7169.900107.8
86D39.4Very low42.9Very low133 Ų133147.4 Ų147.471%0.71176%0.756SS**  trans-72138.6174.5-159.4-13000109.8
87S36.6Very low43.6Very low112 Ų112147.6 Ų147.678%0.78375%0.745SS**  trans-163.172.7175.9-84.70000111.1K89S87-K89 PolarHBondContact O-N 3.21Å
88A45.6Very low44.2Very low92 Ų92144.3 Ų144.376%0.7674%0.74SS**  trans-63.4112.5159.700000110.8
89K41.4Very low44.6Very low203 Ų203139.5 Ų139.588%0.88373%0.734SS**  trans-154.6124.4136.2-122.5167.7-174.2172.10114S87S87-K89 PolarHBondContact O-N 3.21Å
90D44.6Very low45.6Very low142 Ų142137.3 Ų137.376%0.75972%0.724SS**  trans-66.7141.6175-151-36.4000111.4
91S49.5Very low46.6Very low116 Ų116132.8 Ų132.881%0.81171%0.709SS**  trans-178.250.1169.4-79.30000110
92K42.3Very low47.8Very low193 Ų193134.6 Ų134.684%0.83971%0.706SS**  trans-118.136.1-177-147.7173.5-174.3174.60114.3
93A48.4Very low48.8Very low46 Ų46131.5 Ų131.538%0.3870%0.697SS.*SBendtrans-109.8-44.1176.400000114.4K95 K96A93-K95 PolarHBondContact O-N 2.83Å; A93-K96 WeakPolarHBondContact O-CE 3.46Å; A93-K96 WeakPolarHBondContact O-CG 3.4Å
94D52.5Low48.9Very low110 Ų110128.6 Ų128.659%0.58868%0.683SS**Hα-helixtrans-94.5-1.2-151-52.9-74.5000117.8
95K51.8Low49.4Very low195 Ų195126.9 Ų126.985%0.84868%0.678SS**Hα-helixtrans-82.2-11.6175.5-73.8-176177.4176.60114.5A93A93-K95 PolarHBondContact O-N 2.83Å
96K51.5Low49.3Very low142 Ų142124.7 Ų124.762%0.61767%0.666SS**Hα-helixtrans-90-35.3177.338177.6174.81740112.1A93 S100A93-K96 WeakPolarHBondContact O-CE 3.46Å; A93-K96 WeakPolarHBondContact O-CG 3.4Å; K96-S100 PolarHBondContact O-N 3.33Å
97E52.2Low49.6Very low112 Ų112124.2 Ų124.252%0.52366%0.659SS.*Hα-helixtrans-64-48.5176.1-72.6-59130.600112.5C99 S100 L101E97-C99 VanDerWaalsContact C-N 3.33Å; E97-C99 PolarHBondContact O-N 3.49Å; E97-S100 WeakPolarHBondContact O-CA 3.43Å; E97-S100 WeakPolarHBondContact O-CB 3.28Å; E97-S100 PolarHBondContact O-N 3.4Å; E97-L101 PolarHBondContact O-N 2.89Å
98L55.1Low50Low129 Ų129125.8 Ų125.868%0.67566%0.659SS**Hα-helixtrans-59.3-38.1-179.7-83.6163.7000113.6S100 H102L98-S100 VanDerWaalsContact C-N 3.34Å; L98-H102 PolarHBondContact O-N 3.47Å
99C50.5Low50.1Low95 Ų95130.3 Ų130.364%0.64266%0.661SS**Hα-helixtrans-73.5-24.5173.3-74.90000113.3E97 K103E97-C99 VanDerWaalsContact C-N 3.33Å; E97-C99 PolarHBondContact O-N 3.49Å; C99-K103 WeakPolarHBondContact O-CB 3.45Å; C99-K103 PolarHBondContact O-N 2.88Å
100S55.4Low50.4Low72 Ų72129.2 Ų129.250%0.50365%0.652SS.*Hα-helixtrans-75.2-45.1176.2-151.20000111.1K96 E97 L98 K103 S104K96-S100 PolarHBondContact O-N 3.33Å; E97-S100 WeakPolarHBondContact O-CA 3.43Å; E97-S100 WeakPolarHBondContact O-CB 3.28Å; E97-S100 PolarHBondContact O-N 3.4Å; L98-S100 VanDerWaalsContact C-N 3.34Å; S100-K103 WeakPolarHBondContact O-CB 3.44Å; S100-K103 PolarHBondContact O-N 2.81Å; S100-K103 VanDerWaalsContact O-N 3.1Å; S100-S104 PolarHBondContact O-N 3.12Å
101L54.7Low50.6Low101 Ų101129.5 Ų129.553%0.52965%0.653SS.*Hα-helixtrans-60.9-46.1176.1-92.1157.4000112.8E97 K103 S104 L105E97-L101 PolarHBondContact O-N 2.89Å; L101-K103 PolarHBondContact O-N 3.01Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-S104 VanDerWaalsContact O-N 3.14Å; L101-L105 PolarHBondContact O-N 3.04Å; L101-L105 VanDerWaalsContact O-N 3.17Å
102H58.3Low51.1Low139 Ų139131.7 Ų131.764%0.64466%0.655SS**Hα-helixtrans-65.2-20176.8-155.8-75.2000112.9L98 E106L98-H102 PolarHBondContact O-N 3.47Å; H102-E106 WeakPolarHBondContact O-CG 3.37Å
103K55.1Low51.4Low146 Ų146131.5 Ų131.564%0.63566%0.657SS**Hα-helixtrans-86.6-30.3174-166.5-174.2175.2-160.40113C99 S100 L101 Q107C99-K103 WeakPolarHBondContact O-CB 3.45Å; C99-K103 PolarHBondContact O-N 2.88Å; S100-K103 WeakPolarHBondContact O-CB 3.44Å; S100-K103 PolarHBondContact O-N 2.81Å; S100-K103 VanDerWaalsContact O-N 3.1Å; L101-K103 PolarHBondContact O-N 3.01Å; K103-Q107 PolarHBondContact O-N 2.97Å
104S51.4Low51.7Low79 Ų79134 Ų13455%0.55266%0.664SS**Hα-helixtrans-72.8-41.3178.2-152.40000112S100 L101 E106 Q107 D108S100-S104 PolarHBondContact O-N 3.12Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-S104 VanDerWaalsContact O-N 3.14Å; S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 PolarHBondContact O-N 3.43Å; S104-Q107 PolarHBondContact O-N 3.38Å; S104-Q107 VanDerWaalsContact O-N 3.1Å; S104-D108 PolarHBondContact O-N 3.27Å
105L50.2Low51.8Low130 Ų130135.4 Ų135.468%0.68168%0.679SS**Hα-helixtrans-66.9-31.7178-77.8165.2000113.4L101 Q107L101-L105 PolarHBondContact O-N 3.04Å; L101-L105 VanDerWaalsContact O-N 3.17Å; L105-Q107 VanDerWaalsContact C-N 3.28Å; L105-Q107 PolarHBondContact O-N 2.79Å
106E48.1Very low51.7Low131 Ų131134.2 Ų134.261%0.61268%0.677SS**Hα-helixtrans-76.7-11.9173.2-73.6-68.4126.100113.6H102 S104H102-E106 WeakPolarHBondContact O-CG 3.37Å; S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 PolarHBondContact O-N 3.43Å
107Q46.6Very low52Low124 Ų124137.1 Ų137.158%0.57968%0.684SS**Hα-helixtrans-92.5-34.1-179.5-169.1160-4400112.7K103 S104 L105 K109K103-Q107 PolarHBondContact O-N 2.97Å; S104-Q107 PolarHBondContact O-N 3.38Å; S104-Q107 VanDerWaalsContact O-N 3.1Å; L105-Q107 VanDerWaalsContact C-N 3.28Å; L105-Q107 PolarHBondContact O-N 2.79Å; Q107-K109 PolarHBondContact O-N 2.97Å
108D45.4Very low52.2Low144 Ų144137.1 Ų137.177%0.7769%0.693SS**Hα-helixtrans-78.7-15.6-175.4-150.612.8000113.8S104 R110S104-D108 PolarHBondContact O-N 3.27Å; D108-R110 PolarHBondContact O-N 3.37Å
109K47.3Very low52.5Low187 Ų187142.6 Ų142.681%0.81371%0.705SS**THydrogen-bonded Turntrans-91.821.5-176.1-144.1-174.5-176.5-174.40114.9Q107Q107-K109 PolarHBondContact O-N 2.97Å
110R47.9Very low53Low181 Ų181146.9 Ų146.968%0.68372%0.716SS**THydrogen-bonded Turntrans-130.26.3-171.7-66.7-165.9-63.91097.3116.5D108D108-R110 PolarHBondContact O-N 3.37Å
111D48.7Very low53.4Low148 Ų148154.8 Ų154.879%0.79173%0.734SS**SBendtrans-108.513.6-178.9-80.6-52.9000114.6
112L59.3Low54Low162 Ų162159.9 Ų159.985%0.84875%0.752SS**SBendtrans-133117.2168.2-72169.9000110.3
113E48.7Very low54.9Low189 Ų189165 Ų16588%0.88377%0.766SS**SBendtrans123.5127.5166.5-67-79.7113.400114.5
114D54.4Low56.1Low99 Ų99169.4 Ų169.453%0.52978%0.778SS.*  trans65.3103.7166.9-168.712.7000120E116D114-E116 PolarHBondContact OD1-N 3.13Å
115P54.8Low57.4Low139 Ų139174.9 Ų174.990%0.90379%0.792SS**SBendtrans-80.6-2.6172.233.8-34.4000115.6
116E49.5Very low59Low170 Ų170174.1 Ų174.179%0.79480%0.795SS**  trans-107.133.9-168.6-146.1-173.4179.500115.9D114D114-E116 PolarHBondContact OD1-N 3.13Å
117R57.6Low61Low203 Ų203179.3 Ų179.377%0.76681%0.809SS**  trans-104.8112.4170.2-158.4163.3-74-157.1-2.3112.6R119R117-R119 PolarHBondContact O-N 3.46Å; R117-R119 VanDerWaalsContact O-N 3.12Å
118P57.3Low63.1Low111 Ų111179.4 Ų179.472%0.72182%0.818SS**  trans-56.1119.7179-26.434.4000111.6Q120P118-Q120 PolarHBondContact O-N 2.87Å
119R60.8Low65.5Low245 Ų245179.8 Ų179.893%0.92582%0.819SS**  trans-57.199.8-177.9-63.8-174.7-175.2-152.4-0.8110R117 R121R117-R119 PolarHBondContact O-N 3.46Å; R117-R119 VanDerWaalsContact O-N 3.12Å; R119-R121 PolarHBondContact O-N 3.2Å
120Q61.7Low67.9Low185 Ų185173.8 Ų173.886%0.86479%0.793SS**  trans-55.5111.9-177.5-73.6-176.7-10.900109.6P118 K122P118-Q120 PolarHBondContact O-N 2.87Å; Q120-K122 PolarHBondContact O-N 3.09Å
121R63.4Low70.3Confident238 Ų238167.9 Ų167.990%0.89878%0.78SS**  trans-57.5113.9-179.6-69.6-179.7175.9179.6-1.1108.3R119 R123R119-R121 PolarHBondContact O-N 3.2Å; R121-R123 PolarHBondContact O-N 3.45Å
122K67.9Low72.7Confident208 Ų208168.3 Ų168.390%0.90478%0.777SS**  trans-45.3105.3-176.6-64.8179.7-179.71790109.9Q120 R124Q120-K122 PolarHBondContact O-N 3.09Å; K122-R124 PolarHBondContact O-N 3.46Å
123R76Confident74.5Confident245 Ų245164 Ų16493%0.92577%0.765SS**PPolyproline II helixtrans-54.3131.4-176.8-83.5-178.3160.3-166.9-5.4109.1R121R121-R123 PolarHBondContact O-N 3.45Å
124R81.8Confident76.9Confident239 Ų239156.8 Ų156.890%0.90273%0.731SS**PPolyproline II helixtrans-60.1141.3175.9-73.4-179.1166.5-172.5-5108.8K122K122-R124 PolarHBondContact O-N 3.46Å
125K78.1Confident79Confident194 Ų194153.6 Ų153.684%0.84372%0.715SS**PPolyproline II helixtrans-56.9135.6176.1-80.392172.8-168.70109.5
126P84.1Confident81.1Confident115 Ų115153.9 Ų153.975%0.74770%0.699SS**PPolyproline II helixtrans-60.7147.8175.525.9-33.6000110.5V128P126-V128 PolarHBondContact O-N 3.2Å
127R90.4Very high83.4Confident240 Ų240147.7 Ų147.791%0.90667%0.67SS**PPolyproline II helixtrans-74.6124.7174.8-70.4179.7174.9168.9-2.6108.8
128V90.8Very high85.3Confident125 Ų125138 Ų13876%0.75863%0.634SS**PPolyproline II helixtrans-84.4131.5171.9-1780000108.8P126P126-V128 PolarHBondContact O-N 3.2Å
129L94.9Very high87.3Confident153 Ų153135.6 Ų135.680%0.80161%0.613SS**PPolyproline II helixtrans-97.8151.2172.7-61.9178.7000109.8
130F97.8Very high89.1Confident60 Ų60129.4 Ų129.426%0.26359%0.589SS.*PPolyproline II helixtrans-80.3148.1171.3-56.8-42000110.4Q134 V135 L138 L162 Q166 W170F130-Q134 HydrophobicContact CB-CB 4.24Å; F130-V135 HydrophobicContact CB-CG2 4Å; F130-L138 HydrophobicContact CD2-CD1 4.44Å; F130-L162 HydrophobicContact CD1-CD1 4.28Å; F130-L162 HydrophobicContact CD1-CD2 3.72Å; F130-L162 HydrophobicContact CE1-CD1 4.25Å; F130-L162 HydrophobicContact CE1-CD2 3.68Å; F130-Q166 HydrophobicContact CE1-CB 4.26Å; F130-Q166 HydrophobicContact CE1-CG 4.23Å; F130-Q166 HydrophobicContact CZ-CB 3.91Å; F130-Q166 HydrophobicContact CZ-CG 4.12Å; F130-W170 AromaticContact CD2-CD1 3.8Å; F130-W170 HydrophobicContact CE2-CB 4.28Å; F130-W170 AromaticContact CE2-CD1 3.74Å; F130-W170 HydrophobicContact CE2-CG 4.36Å
131S98.3Very high90.9Very high58 Ų58125.4 Ų125.441%0.40657%0.567SS.*PPolyproline II helixtrans-70158175.1730000111.4A133 Q134 V135S131-A133 VanDerWaalsContact C-N 3.25Å; S131-A133 PolarHBondContact O-N 3.03Å; S131-Q134 WeakPolarHBondContact O-CB 3.34Å; S131-Q134 PolarHBondContact O-N 3.09Å; S131-Q134 VanDerWaalsContact O-N 3.09Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.37Å; S131-Q134 PolarHBondContact OG-OE1 3.05Å; S131-V135 WeakPolarHBondContact O-CG2 3.45Å; S131-V135 PolarHBondContact O-N 3.41Å
132Q98.2Very high92.5Very high156 Ų156114.8 Ų114.873%0.72953%0.527SS*.Hα-helixtrans-60.3-35.6-179.3-171.962.58.400112.5V135 Y136Q132-V135 PolarHBondContact O-N 3.27Å; Q132-Y136 WeakPolarHBondContact O-CB 3.5Å; Q132-Y136 PolarHBondContact O-N 3.01Å
133A98.1Very high94Very high72 Ų72112.2 Ų112.260%0.59552%0.516SS*.Hα-helixtrans-64.9-41.2174.800000112.5S131 Y136 E137S131-A133 VanDerWaalsContact C-N 3.25Å; S131-A133 PolarHBondContact O-N 3.03Å; A133-Y136 PolarHBondContact O-N 3.37Å; A133-E137 PolarHBondContact O-N 3.45Å; A133-E137 VanDerWaalsContact O-N 3.17Å
134Q98.6Very high95Very high38 Ų38106.1 Ų106.118%0.17850%0.498CS..Hα-helixtrans-63.2-44.8173.8-71.8169.2-32.300111.1F130 S131 Y136 L138 L160F130-Q134 HydrophobicContact CB-CB 4.24Å; S131-Q134 WeakPolarHBondContact O-CB 3.34Å; S131-Q134 PolarHBondContact O-N 3.09Å; S131-Q134 VanDerWaalsContact O-N 3.09Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.37Å; S131-Q134 PolarHBondContact OG-OE1 3.05Å; Q134-Y136 PolarHBondContact O-N 3.17Å; Q134-L138 WeakPolarHBondContact O-CB 3.34Å; Q134-L138 WeakPolarHBondContact O-CD1 3.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 2.86Å; Q134-L160 HydrophobicContact CG-CB 4.42Å; Q134-L160 PolarHBondContact NE2-O 2.94Å
135V98.5Very high95.8Very high32 Ų3298.6 Ų98.619%0.19447%0.473CS..Hα-helixtrans-62.3-42.5177.1176.50000111.3F130 S131 Q132 L138 E139F130-V135 HydrophobicContact CB-CG2 4Å; S131-V135 WeakPolarHBondContact O-CG2 3.45Å; S131-V135 PolarHBondContact O-N 3.41Å; Q132-V135 PolarHBondContact O-N 3.27Å; V135-L138 PolarHBondContact O-N 2.79Å; V135-E139 HydrophobicContact CG1-CG 4.39Å; V135-E139 WeakPolarHBondContact O-CB 3.46Å; V135-E139 WeakPolarHBondContact O-CG 3.48Å; V135-E139 PolarHBondContact O-N 3.34Å
136Y98.5Very high96.7Very high144 Ų14493.7 Ų93.757%0.56545%0.452SS*.Hα-helixtrans-58.5-50.5178.1173.9-91.7000112.4Q132 A133 Q134 E139 R140Q132-Y136 WeakPolarHBondContact O-CB 3.5Å; Q132-Y136 PolarHBondContact O-N 3.01Å; A133-Y136 PolarHBondContact O-N 3.37Å; Q134-Y136 PolarHBondContact O-N 3.17Å; Y136-E139 PolarHBondContact O-N 2.96Å; Y136-R140 WeakPolarHBondContact O-CB 3.19Å; Y136-R140 PolarHBondContact O-N 3.4Å
137E98.6Very high97.4Very high40 Ų4095.6 Ų95.619%0.18745%0.445CS..Hα-helixtrans-68.8-35.6179.4-82.9-61.1136.600112.8A133 E139 R140 R141 L160A133-E137 PolarHBondContact O-N 3.45Å; A133-E137 VanDerWaalsContact O-N 3.17Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 3.48Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 WeakPolarHBondContact OE1-CD 3.39Å; E137-R140 IonicContact OE1-CZ 3.69Å; E137-R140 IonicContact OE1-NE 3.87Å; E137-R140 IonicContact OE1-NH1 2.74Å; E137-R140 PolarHBondContact OE1-NH1 3.24Å; E137-R140 WeakPolarHBondContact OE2-CD 3.17Å; E137-R140 IonicContact OE2-NH1 3.51Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.39Å; E137-L160 HydrophobicContact CB-CD1 4.22Å; E137-L160 HydrophobicContact CB-CD2 3.62Å; E137-L160 HydrophobicContact CG-CD2 4.12Å
138L98.7Very high97.8Very high0 Ų085.5 Ų85.50%041%0.409CS..Hα-helixtrans-60.1-43.5170.7-72.3166.3000111.3F130 Q134 V135 F142 L156 L160 L162 V167 W170 F171F130-L138 HydrophobicContact CD2-CD1 4.44Å; Q134-L138 WeakPolarHBondContact O-CB 3.34Å; Q134-L138 WeakPolarHBondContact O-CD1 3.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.39Å; Q134-L138 PolarHBondContact O-N 2.86Å; V135-L138 PolarHBondContact O-N 2.79Å; L138-F142 VanDerWaalsContact O-CB 3.23Å; L138-F142 WeakPolarHBondContact O-CB 3.38Å; L138-F142 PolarHBondContact O-N 3Å; L138-L156 HydrophobicContact CD2-CD2 4.11Å; L138-L160 HydrophobicContact CD1-CD1 4.49Å; L138-L160 HydrophobicContact CD2-CD1 3.85Å; L138-L160 HydrophobicContact CG-CD1 3.69Å; L138-L162 HydrophobicContact CD1-CD1 4.18Å; L138-V167 HydrophobicContact CD2-CG1 4.33Å; L138-V167 HydrophobicContact CD2-CG2 4.48Å; L138-W170 HydrophobicContact CB-CD2 3.9Å; L138-W170 HydrophobicContact CB-CE3 3.86Å; L138-W170 HydrophobicContact CB-CH2 3.72Å; L138-W170 HydrophobicContact CB-CZ2 3.71Å; L138-W170 HydrophobicContact CB-CZ3 3.79Å; L138-W170 HydrophobicContact CD1-CD2 3.9Å; L138-W170 HydrophobicContact CD1-CG 3.86Å; L138-W170 HydrophobicContact CD2-CD2 4.38Å; L138-W170 HydrophobicContact CD2-CE3 4.24Å; L138-W170 HydrophobicContact CG-CD2 4.28Å; L138-W170 HydrophobicContact CG-CE3 4.43Å; L138-F171 HydrophobicContact CD2-CD2 4.44Å; L138-F171 HydrophobicContact CD2-CE2 3.93Å
139E98.5Very high98.1Very high60 Ų6081.7 Ų81.728%0.2839%0.387SS..Hα-helixtrans-68.5-39.6175.2-73.4-161.1156.400112.9V135 Y136 E137 F142 K143 W170 R174V135-E139 HydrophobicContact CG1-CG 4.39Å; V135-E139 WeakPolarHBondContact O-CB 3.46Å; V135-E139 WeakPolarHBondContact O-CG 3.48Å; V135-E139 PolarHBondContact O-N 3.34Å; Y136-E139 PolarHBondContact O-N 2.96Å; E137-E139 VanDerWaalsContact C-N 3.34Å; E137-E139 PolarHBondContact O-N 3.48Å; E139-F142 PolarHBondContact O-N 3.33Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.02Å; E139-W170 HydrophobicContact CB-CH2 4.43Å; E139-W170 HydrophobicContact CG-CH2 3.75Å; E139-W170 HydrophobicContact CG-CZ2 3.74Å; E139-R174 IonicContact OE1-CZ 3.27Å; E139-R174 VanDerWaalsContact OE1-CZ 3.27Å; E139-R174 IonicContact OE1-NH1 2.61Å; E139-R174 PolarHBondContact OE1-NH1 3.18Å; E139-R174 IonicContact OE1-NH2 3.45Å; E139-R174 PolarHBondContact OE1-NH2 3.33Å
140R98.6Very high98.3Very high115 Ų11576.8 Ų76.843%0.43437%0.369SS..Hα-helixtrans-58.7-49.2175.3-175.8-174178.8-166.31.2110.9Y136 E137 K143 Q144Y136-R140 WeakPolarHBondContact O-CB 3.19Å; Y136-R140 PolarHBondContact O-N 3.4Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 WeakPolarHBondContact OE1-CD 3.39Å; E137-R140 IonicContact OE1-CZ 3.69Å; E137-R140 IonicContact OE1-NE 3.87Å; E137-R140 IonicContact OE1-NH1 2.74Å; E137-R140 PolarHBondContact OE1-NH1 3.24Å; E137-R140 WeakPolarHBondContact OE2-CD 3.17Å; E137-R140 IonicContact OE2-NH1 3.51Å; R140-K143 WeakPolarHBondContact O-CB 3.39Å; R140-K143 PolarHBondContact O-N 2.74Å; R140-Q144 PolarHBondContact O-N 2.81Å
141R98.4Very high98.3Very high102 Ų10278.2 Ų78.239%0.38538%0.384SS..Hα-helixtrans-67-39.1175.8-69.6-71.7158.9-174.59.1112.1E137 K143 Q144 Q145 L156 F171E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.39Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 3.44Å; R141-Q144 WeakPolarHBondContact O-CB 3.49Å; R141-Q144 PolarHBondContact O-N 2.84Å; R141-Q145 PolarHBondContact O-N 2.92Å; R141-L156 HydrophobicContact CB-CD2 4.13Å; R141-L156 HydrophobicContact CG-CD1 4.02Å; R141-L156 HydrophobicContact CG-CD2 4.18Å; R141-F171 HydrophobicContact CB-CZ 4.28Å
142F98.6Very high98.3Very high14 Ų1478.8 Ų78.86%0.06138%0.381CS..Hα-helixtrans-64-30.4174.3-174.8-97.6000113.6L138 E139 Q145 K146 W170 F171 R174 R175L138-F142 VanDerWaalsContact O-CB 3.23Å; L138-F142 WeakPolarHBondContact O-CB 3.38Å; L138-F142 PolarHBondContact O-N 3Å; E139-F142 PolarHBondContact O-N 3.33Å; F142-Q145 WeakPolarHBondContact CA-O 3.1Å; F142-K146 HydrophobicContact CD1-CD 4.23Å; F142-K146 HydrophobicContact CD2-CD 4.38Å; F142-K146 HydrophobicContact CE1-CD 3.73Å; F142-K146 HydrophobicContact CE2-CB 4.18Å; F142-K146 HydrophobicContact CE2-CD 3.9Å; F142-K146 HydrophobicContact CZ-CB 4.49Å; F142-K146 HydrophobicContact CZ-CD 3.55Å; F142-K146 WeakPolarHBondContact O-CD 3.43Å; F142-K146 PolarHBondContact O-NZ 3.04Å; F142-W170 HydrophobicContact CB-CH2 4.22Å; F142-W170 HydrophobicContact CB-CZ3 3.96Å; F142-W170 HydrophobicContact CD2-CZ3 4.48Å; F142-W170 HydrophobicContact CG-CZ3 4.34Å; F142-F171 HydrophobicContact CB-CE1 4.12Å; F142-F171 HydrophobicContact CB-CZ 4.25Å; F142-F171 AromaticContact CD2-CD1 3.82Å; F142-F171 HydrophobicContact CD2-CD1 3.82Å; F142-F171 AromaticContact CD2-CE1 3.83Å; F142-F171 HydrophobicContact CD2-CE1 3.83Å; F142-F171 HydrophobicContact CG-CE1 4.5Å; F142-R174 HydrophobicContact CD1-CG 3.56Å; F142-R174 HydrophobicContact CD2-CB 4.25Å; F142-R174 HydrophobicContact CD2-CG 3.8Å; F142-R174 HydrophobicContact CE1-CG 3.49Å; F142-R174 VanDerWaalsContact CE1-CG 3.49Å; F142-R174 HydrophobicContact CE2-CB 4.1Å; F142-R174 HydrophobicContact CE2-CG 3.73Å; F142-R174 HydrophobicContact CG-CG 3.71Å; F142-R174 HydrophobicContact CZ-CB 4.29Å; F142-R174 HydrophobicContact CZ-CG 3.57Å; F142-R175 HydrophobicContact CE2-CG 3.82Å; F142-R175 HydrophobicContact CZ-CG 4.19Å
143K98Very high98.3Very high154 Ų15474.4 Ų74.467%0.6736%0.358SS*.Hα-helixtrans-61.7-45.7173.1-77.1172.5-176.6179.90110.6E139 R140 R141 K146E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.02Å; R140-K143 WeakPolarHBondContact O-CB 3.39Å; R140-K143 PolarHBondContact O-N 2.74Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 3.44Å; K143-K146 PolarHBondContact O-NZ 3.4Å; K143-K146 VanDerWaalsContact O-NZ 3.09Å
144Q98Very high98.4Very high117 Ų11774.2 Ų74.255%0.54735%0.347SS..Hα-helixtrans-68-47.9178.2-62.5168.4-13.800112.6R140 R141R140-Q144 PolarHBondContact O-N 2.81Å; R141-Q144 WeakPolarHBondContact O-CB 3.49Å; R141-Q144 PolarHBondContact O-N 2.84Å
145Q97.9Very high98.4Very high82 Ų8278.6 Ų78.638%0.38337%0.367SS..  trans-143122.1-171.1-168.2179.7-19.500111R141 F142 Y147 L148 E152R141-Q145 PolarHBondContact O-N 2.92Å; F142-Q145 WeakPolarHBondContact CA-O 3.1Å; Q145-Y147 WeakPolarHBondContact CG-O 3.3Å; Q145-Y147 PolarHBondContact NE2-O 3.39Å; Q145-L148 HydrophobicContact CB-CD2 4.24Å; Q145-L148 HydrophobicContact CG-CD2 4.23Å; Q145-E152 PolarHBondContact NE2-OE2 2.54Å
146K97.8Very high98.4Very high91 Ų9177.6 Ų77.640%0.39636%0.36SS..SBendtrans-79.4-20.3-175.2-51-60.3167-150.90113.8F142 K143 R175F142-K146 HydrophobicContact CD1-CD 4.23Å; F142-K146 HydrophobicContact CD2-CD 4.38Å; F142-K146 HydrophobicContact CE1-CD 3.73Å; F142-K146 HydrophobicContact CE2-CB 4.18Å; F142-K146 HydrophobicContact CE2-CD 3.9Å; F142-K146 HydrophobicContact CZ-CB 4.49Å; F142-K146 HydrophobicContact CZ-CD 3.55Å; F142-K146 WeakPolarHBondContact O-CD 3.43Å; F142-K146 PolarHBondContact O-NZ 3.04Å; K143-K146 PolarHBondContact O-NZ 3.4Å; K143-K146 VanDerWaalsContact O-NZ 3.09Å; K146-R175 WeakPolarHBondContact O-CD 3.14Å
147Y98.3Very high98.4Very high154 Ų15470.9 Ų70.960%0.60433%0.334SS*.SBendtrans-136.4114.6-175.3-64-97000108.6Q145 R175Q145-Y147 WeakPolarHBondContact CG-O 3.3Å; Q145-Y147 PolarHBondContact NE2-O 3.39Å; Y147-R175 VanDerWaalsContact CE1-CD 3.44Å; Y147-R175 VanDerWaalsContact CZ-CD 3.44Å
148L98.3Very high98.4Very high29 Ų2974.4 Ų74.415%0.15235%0.354CS..  trans-92.6142.8176.8-61.4-179.4000111.2Q145 E152 R153 L156 V167 F171Q145-L148 HydrophobicContact CB-CD2 4.24Å; Q145-L148 HydrophobicContact CG-CD2 4.23Å; L148-E152 VanDerWaalsContact CA-OE2 3.27Å; L148-E152 WeakPolarHBondContact CA-OE2 3.5Å; L148-E152 HydrophobicContact CB-CB 4.11Å; L148-E152 HydrophobicContact CD2-CB 4.3Å; L148-R153 HydrophobicContact CB-CG 3.53Å; L148-R153 HydrophobicContact CD1-CG 4Å; L148-R153 HydrophobicContact CG-CG 4.42Å; L148-L156 HydrophobicContact CD1-CD2 3.75Å; L148-V167 HydrophobicContact CD1-CG1 4.28Å; L148-F171 HydrophobicContact CD1-CD1 4.34Å; L148-F171 HydrophobicContact CD1-CD2 4.23Å; L148-F171 HydrophobicContact CD1-CE1 3.79Å; L148-F171 HydrophobicContact CD1-CE2 3.68Å; L148-F171 HydrophobicContact CD1-CZ 3.44Å; L148-F171 VanDerWaalsContact CD1-CZ 3.44Å; L148-F171 HydrophobicContact CD2-CE1 4.26Å; L148-F171 HydrophobicContact CD2-CZ 4.43Å; L148-F171 HydrophobicContact CG-CD1 4.1Å; L148-F171 HydrophobicContact CG-CE1 3.64Å; L148-F171 HydrophobicContact CG-CE2 4.43Å; L148-F171 HydrophobicContact CG-CZ 3.84Å
149S98.4Very high98.3Very high44 Ų4478.4 Ų78.431%0.30838%0.379SS..  trans-68.9177.5170.175.40000111.8P151 E152 R153S149-P151 WeakPolarHBondContact OG-CD 3.5Å; S149-E152 VanDerWaalsContact CB-OE1 3.26Å; S149-E152 WeakPolarHBondContact CB-OE1 3.47Å; S149-E152 PolarHBondContact N-OE2 3.19Å; S149-E152 WeakPolarHBondContact OG-CG 3.42Å; S149-E152 PolarHBondContact OG-OE1 2.97Å; S149-E152 PolarHBondContact OG-OE2 3.5Å; S149-R153 VanDerWaalsContact O-CG 3.29Å; S149-R153 WeakPolarHBondContact O-CG 3.48Å; S149-R153 PolarHBondContact O-N 3.11Å; S149-R153 PolarHBondContact O-NE 3.19Å; S149-R153 VanDerWaalsContact O-NE 3.12Å
150A98.3Very high98.3Very high50 Ų5076.3 Ų76.341%0.41337%0.369SS..Hα-helixtrans-59.1-60.6174.500000112.9E152 R153 D154A150-E152 VanDerWaalsContact C-N 3.31Å; A150-E152 PolarHBondContact O-N 3.37Å; A150-R153 PolarHBondContact O-N 3.05Å; A150-R153 VanDerWaalsContact O-N 3.1Å; A150-D154 PolarHBondContact O-N 2.94Å
151P98.3Very high98.3Very high90 Ų9079.1 Ų79.158%0.58439%0.385SS*.Hα-helixtrans-62.4-33.7-176.524.7-35.6000113.7S149 R153 D154 H155S149-P151 WeakPolarHBondContact OG-CD 3.5Å; P151-R153 VanDerWaalsContact C-N 3.35Å; P151-R153 PolarHBondContact O-N 2.88Å; P151-D154 PolarHBondContact O-N 2.88Å; P151-H155 WeakPolarHBondContact O-CB 3.44Å; P151-H155 PolarHBondContact O-N 3.46Å
152E98.4Very high98.3Very high71 Ų7175.4 Ų75.433%0.33237%0.372SS..Hα-helixtrans-62.1-39.7175.3-74.3152.9-135.600112.8Q145 L148 S149 A150 L156Q145-E152 PolarHBondContact NE2-OE2 2.54Å; L148-E152 VanDerWaalsContact CA-OE2 3.27Å; L148-E152 WeakPolarHBondContact CA-OE2 3.5Å; L148-E152 HydrophobicContact CB-CB 4.11Å; L148-E152 HydrophobicContact CD2-CB 4.3Å; S149-E152 VanDerWaalsContact CB-OE1 3.26Å; S149-E152 WeakPolarHBondContact CB-OE1 3.47Å; S149-E152 PolarHBondContact N-OE2 3.19Å; S149-E152 WeakPolarHBondContact OG-CG 3.42Å; S149-E152 PolarHBondContact OG-OE1 2.97Å; S149-E152 PolarHBondContact OG-OE2 3.5Å; A150-E152 VanDerWaalsContact C-N 3.31Å; A150-E152 PolarHBondContact O-N 3.37Å; E152-L156 WeakPolarHBondContact O-CB 3.35Å; E152-L156 PolarHBondContact O-N 3.3Å
153R98.6Very high98.3Very high64 Ų6478.3 Ų78.324%0.24239%0.391CS..Hα-helixtrans-68.9-39.1176.5-68.5174.4-54.6172.113.4111.4L148 S149 A150 P151 L156 A157 V167L148-R153 HydrophobicContact CB-CG 3.53Å; L148-R153 HydrophobicContact CD1-CG 4Å; L148-R153 HydrophobicContact CG-CG 4.42Å; S149-R153 VanDerWaalsContact O-CG 3.29Å; S149-R153 WeakPolarHBondContact O-CG 3.48Å; S149-R153 PolarHBondContact O-N 3.11Å; S149-R153 PolarHBondContact O-NE 3.19Å; S149-R153 VanDerWaalsContact O-NE 3.12Å; A150-R153 PolarHBondContact O-N 3.05Å; A150-R153 VanDerWaalsContact O-N 3.1Å; P151-R153 VanDerWaalsContact C-N 3.35Å; P151-R153 PolarHBondContact O-N 2.88Å; R153-L156 PolarHBondContact O-N 3.34Å; R153-A157 WeakPolarHBondContact O-CB 3.23Å; R153-A157 PolarHBondContact O-N 2.86Å; R153-V167 HydrophobicContact CB-CG1 4.31Å; R153-V167 HydrophobicContact CG-CG1 4.18Å
154D98.6Very high98.3Very high68 Ų6872.7 Ų72.736%0.36437%0.372SS..Hα-helixtrans-66.4-42.1179.3-59.6-33.3000110.6A150 P151 A157 N158 S164A150-D154 PolarHBondContact O-N 2.94Å; P151-D154 PolarHBondContact O-N 2.88Å; D154-A157 PolarHBondContact O-N 3.3Å; D154-N158 VanDerWaalsContact O-CG 3.22Å; D154-N158 PolarHBondContact O-N 3.34Å; D154-N158 PolarHBondContact O-ND2 2.9Å; D154-S164 WeakPolarHBondContact OD1-CB 3.37Å; D154-S164 PolarHBondContact OD1-OG 2.92Å
155H98.6Very high98.3Very high129 Ų12971.4 Ų71.460%0.59737%0.372SS*.Hα-helixtrans-60-50.2171.3-179.579.7000112.2P151 A157 N158 V159P151-H155 WeakPolarHBondContact O-CB 3.44Å; P151-H155 PolarHBondContact O-N 3.46Å; H155-A157 VanDerWaalsContact C-N 3.31Å; H155-A157 PolarHBondContact O-N 3.28Å; H155-N158 PolarHBondContact O-N 3.1Å; H155-V159 WeakPolarHBondContact O-CG2 3.39Å; H155-V159 PolarHBondContact O-N 3.49Å; H155-V159 VanDerWaalsContact O-N 3.09Å
156L98.4Very high98.3Very high12 Ų1270.6 Ų70.66%0.06337%0.368CS..Hα-helixtrans-64.3-35.8-179.8-173.357.7000112.6L138 R141 L148 E152 R153 V159 L160 V167 F171L138-L156 HydrophobicContact CD2-CD2 4.11Å; R141-L156 HydrophobicContact CB-CD2 4.13Å; R141-L156 HydrophobicContact CG-CD1 4.02Å; R141-L156 HydrophobicContact CG-CD2 4.18Å; L148-L156 HydrophobicContact CD1-CD2 3.75Å; E152-L156 WeakPolarHBondContact O-CB 3.35Å; E152-L156 PolarHBondContact O-N 3.3Å; R153-L156 PolarHBondContact O-N 3.34Å; L156-V159 PolarHBondContact O-N 3.45Å; L156-L160 HydrophobicContact CD1-CD1 3.76Å; L156-L160 HydrophobicContact CD1-CG 4.01Å; L156-L160 HydrophobicContact CG-CD1 4.01Å; L156-L160 HydrophobicContact CG-CG 4.49Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.44Å; L156-V167 HydrophobicContact CD2-CG1 4.09Å; L156-F171 HydrophobicContact CD2-CE2 3.96Å; L156-F171 HydrophobicContact CD2-CZ 4.27Å
157A98.6Very high98.3Very high2 Ų266.2 Ų66.22%0.01735%0.349CS..Hα-helixtrans-60.8-46.2173.400000111.6R153 D154 H155 V159 L160 K161 L162 V167R153-A157 WeakPolarHBondContact O-CB 3.23Å; R153-A157 PolarHBondContact O-N 2.86Å; D154-A157 PolarHBondContact O-N 3.3Å; H155-A157 VanDerWaalsContact C-N 3.31Å; H155-A157 PolarHBondContact O-N 3.28Å; A157-V159 PolarHBondContact O-N 2.61Å; A157-L160 PolarHBondContact O-N 3.31Å; A157-K161 WeakPolarHBondContact O-CA 3.29Å; A157-K161 PolarHBondContact O-N 3.3Å; A157-L162 CarbonylContact C-O 3.5Å; A157-L162 WeakPolarHBondContact CB-O 3.31Å; A157-L162 PolarHBondContact O-N 3.45Å; A157-V167 HydrophobicContact CB-CG2 4.04Å
158N98.4Very high98.3Very high114 Ų11464 Ų6461%0.6134%0.343SS*.Hα-helixtrans-63.8-36.9178.2-71.9-25.8000113.6D154 H155 K161D154-N158 VanDerWaalsContact O-CG 3.22Å; D154-N158 PolarHBondContact O-N 3.34Å; D154-N158 PolarHBondContact O-ND2 2.9Å; H155-N158 PolarHBondContact O-N 3.1Å; N158-K161 PolarHBondContact O-NZ 3.48Å
159V98Very high98.3Very high84 Ų8466.6 Ų66.651%0.50936%0.355SS..Hα-helixtrans-68.7-47.7175.5173.90000110.9H155 L156 A157 K161H155-V159 WeakPolarHBondContact O-CG2 3.39Å; H155-V159 PolarHBondContact O-N 3.49Å; H155-V159 VanDerWaalsContact O-N 3.09Å; L156-V159 PolarHBondContact O-N 3.45Å; A157-V159 PolarHBondContact O-N 2.61Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å
160L97.9Very high98.3Very high17 Ų1766.1 Ų66.19%0.08935%0.347CS..Hα-helixtrans-86.5-0-174-59.3-176.6000115Q134 E137 L138 L156 A157 L162Q134-L160 HydrophobicContact CG-CB 4.42Å; Q134-L160 PolarHBondContact NE2-O 2.94Å; E137-L160 HydrophobicContact CB-CD1 4.22Å; E137-L160 HydrophobicContact CB-CD2 3.62Å; E137-L160 HydrophobicContact CG-CD2 4.12Å; L138-L160 HydrophobicContact CD1-CD1 4.49Å; L138-L160 HydrophobicContact CD2-CD1 3.85Å; L138-L160 HydrophobicContact CG-CD1 3.69Å; L156-L160 HydrophobicContact CD1-CD1 3.76Å; L156-L160 HydrophobicContact CD1-CG 4.01Å; L156-L160 HydrophobicContact CG-CD1 4.01Å; L156-L160 HydrophobicContact CG-CG 4.49Å; L156-L160 WeakPolarHBondContact O-CB 3.36Å; L156-L160 WeakPolarHBondContact O-CG 3.39Å; L156-L160 PolarHBondContact O-N 3.44Å; A157-L160 PolarHBondContact O-N 3.31Å; L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 HydrophobicContact CB-CD1 4.18Å; L160-L162 HydrophobicContact CB-CG 4.15Å; L160-L162 PolarHBondContact O-N 2.84Å
161K98.3Very high98.4Very high174 Ų17464 Ų6476%0.75733%0.329SS*.THydrogen-bonded Turntrans53.943.5-173.3-50-55.1174.5-160.20112.2A157 N158 V159A157-K161 WeakPolarHBondContact O-CA 3.29Å; A157-K161 PolarHBondContact O-N 3.3Å; N158-K161 PolarHBondContact O-NZ 3.48Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 3.12Å
162L97.9Very high98.4Very high23 Ų2362.8 Ų62.812%0.1232%0.315CS..  trans-114.5170.7173.7-64.5179.7000109.6F130 L138 A157 L160 Q166 V167F130-L162 HydrophobicContact CD1-CD1 4.28Å; F130-L162 HydrophobicContact CD1-CD2 3.72Å; F130-L162 HydrophobicContact CE1-CD1 4.25Å; F130-L162 HydrophobicContact CE1-CD2 3.68Å; L138-L162 HydrophobicContact CD1-CD1 4.18Å; A157-L162 CarbonylContact C-O 3.5Å; A157-L162 WeakPolarHBondContact CB-O 3.31Å; A157-L162 PolarHBondContact O-N 3.45Å; L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 HydrophobicContact CB-CD1 4.18Å; L160-L162 HydrophobicContact CB-CG 4.15Å; L160-L162 PolarHBondContact O-N 2.84Å; L162-Q166 HydrophobicContact CB-CB 4.43Å; L162-V167 HydrophobicContact CB-CG2 4.33Å
163T98.4Very high98.4Very high75 Ų7564 Ų6446%0.4632%0.324SS..  trans-88150.1167.560.90000111T165 Q166 V167T163-T165 PolarHBondContact O-N 3.4Å; T163-T165 VanDerWaalsContact O-N 3.11Å; T163-Q166 WeakPolarHBondContact O-CB 3.49Å; T163-Q166 PolarHBondContact O-N 2.86Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.33Å; T163-Q166 VanDerWaalsContact OG1-CG 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.29Å; T163-Q166 PolarHBondContact OG1-N 3.38Å; T163-Q166 PolarHBondContact OG1-OE1 2.97Å; T163-V167 PolarHBondContact O-N 3.35Å
164S98.1Very high98.3Very high37 Ų3764.4 Ų64.426%0.25933%0.325SS..Hα-helixtrans-56.6-29.3175-41.20000112.7D154 K168D154-S164 WeakPolarHBondContact OD1-CB 3.37Å; D154-S164 PolarHBondContact OD1-OG 2.92Å; S164-K168 VanDerWaalsContact O-CB 3.31Å; S164-K168 WeakPolarHBondContact O-CB 3.42Å; S164-K168 PolarHBondContact O-N 3.3Å
165T98.4Very high98.3Very high89 Ų8965 Ų6555%0.54632%0.323SS..Hα-helixtrans-68.8-41.8172.9-59.90000112.5T163 K168 I169T163-T165 PolarHBondContact O-N 3.4Å; T163-T165 VanDerWaalsContact O-N 3.11Å; T165-K168 WeakPolarHBondContact O-CB 3.49Å; T165-K168 PolarHBondContact O-N 2.9Å; T165-I169 HydrophobicContact CG2-CD1 3.9Å; T165-I169 WeakPolarHBondContact O-CB 3.27Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.49Å; T165-I169 PolarHBondContact O-N 3.36Å
166Q98.2Very high98.3Very high65 Ų6564.8 Ų64.830%0.30432%0.317SS..Hα-helixtrans-62.8-42.8173-78.3161.5-47.900111.3F130 L162 T163 I169 W170F130-Q166 HydrophobicContact CE1-CB 4.26Å; F130-Q166 HydrophobicContact CE1-CG 4.23Å; F130-Q166 HydrophobicContact CZ-CB 3.91Å; F130-Q166 HydrophobicContact CZ-CG 4.12Å; L162-Q166 HydrophobicContact CB-CB 4.43Å; T163-Q166 WeakPolarHBondContact O-CB 3.49Å; T163-Q166 PolarHBondContact O-N 2.86Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.33Å; T163-Q166 VanDerWaalsContact OG1-CG 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.29Å; T163-Q166 PolarHBondContact OG1-N 3.38Å; T163-Q166 PolarHBondContact OG1-OE1 2.97Å; Q166-I169 PolarHBondContact O-N 3.09Å; Q166-W170 WeakPolarHBondContact O-CB 3.48Å; Q166-W170 PolarHBondContact O-N 2.91Å
167V98.6Very high98.2Very high0 Ų070.6 Ų70.60%034%0.342CS..Hα-helixtrans-61.1-47174.2179.70000110.6L138 L148 R153 L156 A157 L162 T163 I169 W170 F171L138-V167 HydrophobicContact CD2-CG1 4.33Å; L138-V167 HydrophobicContact CD2-CG2 4.48Å; L148-V167 HydrophobicContact CD1-CG1 4.28Å; R153-V167 HydrophobicContact CB-CG1 4.31Å; R153-V167 HydrophobicContact CG-CG1 4.18Å; L156-V167 HydrophobicContact CD2-CG1 4.09Å; A157-V167 HydrophobicContact CB-CG2 4.04Å; L162-V167 HydrophobicContact CB-CG2 4.33Å; T163-V167 PolarHBondContact O-N 3.35Å; V167-I169 PolarHBondContact O-N 2.89Å; V167-W170 PolarHBondContact O-N 2.86Å; V167-F171 HydrophobicContact CG1-CD2 3.86Å; V167-F171 HydrophobicContact CG1-CE2 4Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 PolarHBondContact O-N 3.29Å
168K98.4Very high97.9Very high108 Ų10873.1 Ų73.147%0.4736%0.359SS..Hα-helixtrans-54.8-50.2175.2178.6-173.1177.6-176.10112S164 T165 F171 Q172S164-K168 VanDerWaalsContact O-CB 3.31Å; S164-K168 WeakPolarHBondContact O-CB 3.42Å; S164-K168 PolarHBondContact O-N 3.3Å; T165-K168 WeakPolarHBondContact O-CB 3.49Å; T165-K168 PolarHBondContact O-N 2.9Å; K168-F171 PolarHBondContact O-N 3.07Å; K168-Q172 WeakPolarHBondContact O-CB 3.26Å; K168-Q172 PolarHBondContact O-N 3.18Å
169I98.4Very high97.7Very high82 Ų8272.7 Ų72.742%0.42135%0.352SS..Hα-helixtrans-64.6-43.7-179.5-69.7167.1000110.6T165 Q166 V167 Q172 N173T165-I169 HydrophobicContact CG2-CD1 3.9Å; T165-I169 WeakPolarHBondContact O-CB 3.27Å; T165-I169 VanDerWaalsContact O-CG1 3.29Å; T165-I169 WeakPolarHBondContact O-CG1 3.49Å; T165-I169 PolarHBondContact O-N 3.36Å; Q166-I169 PolarHBondContact O-N 3.09Å; V167-I169 PolarHBondContact O-N 2.89Å; I169-Q172 PolarHBondContact O-N 2.62Å; I169-N173 WeakPolarHBondContact O-CB 3.34Å; I169-N173 VanDerWaalsContact O-CG 3.24Å; I169-N173 PolarHBondContact O-N 3.47Å
170W98.4Very high97.5Very high34 Ų3476.2 Ų76.213%0.12936%0.356CS..Hα-helixtrans-62.5-46.3178.4-171.799.7000111.6F130 L138 E139 F142 Q166 V167 Q172 N173 R174F130-W170 AromaticContact CD2-CD1 3.8Å; F130-W170 HydrophobicContact CE2-CB 4.28Å; F130-W170 AromaticContact CE2-CD1 3.74Å; F130-W170 HydrophobicContact CE2-CG 4.36Å; L138-W170 HydrophobicContact CB-CD2 3.9Å; L138-W170 HydrophobicContact CB-CE3 3.86Å; L138-W170 HydrophobicContact CB-CH2 3.72Å; L138-W170 HydrophobicContact CB-CZ2 3.71Å; L138-W170 HydrophobicContact CB-CZ3 3.79Å; L138-W170 HydrophobicContact CD1-CD2 3.9Å; L138-W170 HydrophobicContact CD1-CG 3.86Å; L138-W170 HydrophobicContact CD2-CD2 4.38Å; L138-W170 HydrophobicContact CD2-CE3 4.24Å; L138-W170 HydrophobicContact CG-CD2 4.28Å; L138-W170 HydrophobicContact CG-CE3 4.43Å; E139-W170 HydrophobicContact CB-CH2 4.43Å; E139-W170 HydrophobicContact CG-CH2 3.75Å; E139-W170 HydrophobicContact CG-CZ2 3.74Å; F142-W170 HydrophobicContact CB-CH2 4.22Å; F142-W170 HydrophobicContact CB-CZ3 3.96Å; F142-W170 HydrophobicContact CD2-CZ3 4.48Å; F142-W170 HydrophobicContact CG-CZ3 4.34Å; Q166-W170 WeakPolarHBondContact O-CB 3.48Å; Q166-W170 PolarHBondContact O-N 2.91Å; V167-W170 PolarHBondContact O-N 2.86Å; W170-Q172 VanDerWaalsContact C-N 3.31Å; W170-Q172 PolarHBondContact O-N 2.84Å; W170-N173 PolarHBondContact O-N 2.74Å; W170-R174 HydrophobicContact CE3-CB 4.14Å; W170-R174 HydrophobicContact CH2-CB 4.15Å; W170-R174 HydrophobicContact CH2-CG 3.88Å; W170-R174 HydrophobicContact CZ3-CB 3.85Å; W170-R174 HydrophobicContact CZ3-CG 3.94Å; W170-R174 WeakPolarHBondContact O-CB 3.37Å; W170-R174 PolarHBondContact O-N 2.8Å
171F98.7Very high97.1Very high7 Ų780.5 Ų80.53%0.03138%0.375CS..Hα-helixtrans-63.6-35.9176.6-91.6-104.4000112.5L138 R141 F142 L148 L156 V167 K168 R175L138-F171 HydrophobicContact CD2-CD2 4.44Å; L138-F171 HydrophobicContact CD2-CE2 3.93Å; R141-F171 HydrophobicContact CB-CZ 4.28Å; F142-F171 HydrophobicContact CB-CE1 4.12Å; F142-F171 HydrophobicContact CB-CZ 4.25Å; F142-F171 AromaticContact CD2-CD1 3.82Å; F142-F171 HydrophobicContact CD2-CD1 3.82Å; F142-F171 AromaticContact CD2-CE1 3.83Å; F142-F171 HydrophobicContact CD2-CE1 3.83Å; F142-F171 HydrophobicContact CG-CE1 4.5Å; L148-F171 HydrophobicContact CD1-CD1 4.34Å; L148-F171 HydrophobicContact CD1-CD2 4.23Å; L148-F171 HydrophobicContact CD1-CE1 3.79Å; L148-F171 HydrophobicContact CD1-CE2 3.68Å; L148-F171 HydrophobicContact CD1-CZ 3.44Å; L148-F171 VanDerWaalsContact CD1-CZ 3.44Å; L148-F171 HydrophobicContact CD2-CE1 4.26Å; L148-F171 HydrophobicContact CD2-CZ 4.43Å; L148-F171 HydrophobicContact CG-CD1 4.1Å; L148-F171 HydrophobicContact CG-CE1 3.64Å; L148-F171 HydrophobicContact CG-CE2 4.43Å; L148-F171 HydrophobicContact CG-CZ 3.84Å; L156-F171 HydrophobicContact CD2-CE2 3.96Å; L156-F171 HydrophobicContact CD2-CZ 4.27Å; V167-F171 HydrophobicContact CG1-CD2 3.86Å; V167-F171 HydrophobicContact CG1-CE2 4Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 PolarHBondContact O-N 3.29Å; K168-F171 PolarHBondContact O-N 3.07Å; F171-R175 WeakPolarHBondContact O-CG 3.35Å; F171-R175 PolarHBondContact O-N 3.35Å; F171-R175 VanDerWaalsContact O-N 3.07Å; F171-R175 PolarHBondContact O-NE 3.26Å
172Q98.5Very high96.4Very high64 Ų6480 Ų8030%0.29937%0.369SS..Hα-helixtrans-65.2-50173.7178.8167.512.700111.4K168 I169 W170 R174 R175 Y176K168-Q172 WeakPolarHBondContact O-CB 3.26Å; K168-Q172 PolarHBondContact O-N 3.18Å; I169-Q172 PolarHBondContact O-N 2.62Å; W170-Q172 VanDerWaalsContact C-N 3.31Å; W170-Q172 PolarHBondContact O-N 2.84Å; Q172-R174 VanDerWaalsContact C-N 3.3Å; Q172-R174 PolarHBondContact O-N 2.96Å; Q172-R175 PolarHBondContact O-N 3.44Å; Q172-Y176 HydrophobicContact CG-CD2 3.8Å; Q172-Y176 HydrophobicContact CG-CE2 3.33Å; Q172-Y176 PolarHBondContact NE2-OH 3.48Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.24Å; Q172-Y176 PolarHBondContact O-N 3.37Å
173N98.1Very high95.7Very high96 Ų9684 Ų8451%0.51339%0.386SS..Hα-helixtrans-59.5-40175.9-70.2-12.8000112I169 W170 Y176 K177I169-N173 WeakPolarHBondContact O-CB 3.34Å; I169-N173 VanDerWaalsContact O-CG 3.24Å; I169-N173 PolarHBondContact O-N 3.47Å; W170-N173 PolarHBondContact O-N 2.74Å; N173-Y176 PolarHBondContact O-N 3.13Å; N173-K177 PolarHBondContact O-N 3.45Å
174R98.1Very high94.8Very high73 Ų7383.2 Ų83.228%0.27538%0.38SS..Hα-helixtrans-64.9-42.3177.9-170.968.3-167.9-164.5-3.8112.3E139 F142 W170 Q172 K177 C178E139-R174 IonicContact OE1-CZ 3.27Å; E139-R174 VanDerWaalsContact OE1-CZ 3.27Å; E139-R174 IonicContact OE1-NH1 2.61Å; E139-R174 PolarHBondContact OE1-NH1 3.18Å; E139-R174 IonicContact OE1-NH2 3.45Å; E139-R174 PolarHBondContact OE1-NH2 3.33Å; F142-R174 HydrophobicContact CD1-CG 3.56Å; F142-R174 HydrophobicContact CD2-CB 4.25Å; F142-R174 HydrophobicContact CD2-CG 3.8Å; F142-R174 HydrophobicContact CE1-CG 3.49Å; F142-R174 VanDerWaalsContact CE1-CG 3.49Å; F142-R174 HydrophobicContact CE2-CB 4.1Å; F142-R174 HydrophobicContact CE2-CG 3.73Å; F142-R174 HydrophobicContact CG-CG 3.71Å; F142-R174 HydrophobicContact CZ-CB 4.29Å; F142-R174 HydrophobicContact CZ-CG 3.57Å; W170-R174 HydrophobicContact CE3-CB 4.14Å; W170-R174 HydrophobicContact CH2-CB 4.15Å; W170-R174 HydrophobicContact CH2-CG 3.88Å; W170-R174 HydrophobicContact CZ3-CB 3.85Å; W170-R174 HydrophobicContact CZ3-CG 3.94Å; W170-R174 WeakPolarHBondContact O-CB 3.37Å; W170-R174 PolarHBondContact O-N 2.8Å; Q172-R174 VanDerWaalsContact C-N 3.3Å; Q172-R174 PolarHBondContact O-N 2.96Å; R174-K177 PolarHBondContact O-N 2.9Å; R174-C178 PolarHBondContact O-N 3.31Å; R174-C178 VanDerWaalsContact O-N 3.13Å
175R98.1Very high93.7Very high81 Ų8186.6 Ų86.631%0.30639%0.391SS..Hα-helixtrans-63.2-43.3172.6-74.1-175.5-71.7124-2.6111.9F142 K146 Y147 F171 Q172 C178 K179F142-R175 HydrophobicContact CE2-CG 3.82Å; F142-R175 HydrophobicContact CZ-CG 4.19Å; K146-R175 WeakPolarHBondContact O-CD 3.14Å; Y147-R175 VanDerWaalsContact CE1-CD 3.44Å; Y147-R175 VanDerWaalsContact CZ-CD 3.44Å; F171-R175 WeakPolarHBondContact O-CG 3.35Å; F171-R175 PolarHBondContact O-N 3.35Å; F171-R175 VanDerWaalsContact O-N 3.07Å; F171-R175 PolarHBondContact O-NE 3.26Å; Q172-R175 PolarHBondContact O-N 3.44Å; R175-C178 PolarHBondContact O-N 2.89Å; R175-K179 PolarHBondContact O-N 3.49Å
176Y97.8Very high92.5Very high123 Ų12386.4 Ų86.448%0.48239%0.39SS..Hα-helixtrans-61.7-43.8175.7-73.8-54.1000112.6Q172 N173 C178 K179 R180Q172-Y176 HydrophobicContact CG-CD2 3.8Å; Q172-Y176 HydrophobicContact CG-CE2 3.33Å; Q172-Y176 PolarHBondContact NE2-OH 3.48Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.24Å; Q172-Y176 PolarHBondContact O-N 3.37Å; N173-Y176 PolarHBondContact O-N 3.13Å; Y176-C178 VanDerWaalsContact C-N 3.35Å; Y176-C178 PolarHBondContact O-N 2.95Å; Y176-K179 PolarHBondContact O-N 3.35Å; Y176-R180 WeakPolarHBondContact O-CB 3.35Å; Y176-R180 PolarHBondContact O-N 3.33Å
177K96Very high90.9Very high134 Ų13487.5 Ų87.558%0.58340%0.398SS*.Hα-helixtrans-58.3-45.6176.1-173.7176.6178.7-179.60111.6N173 R174 R180 Q181N173-K177 PolarHBondContact O-N 3.45Å; R174-K177 PolarHBondContact O-N 2.9Å; K177-R180 PolarHBondContact O-N 3.25Å; K177-Q181 WeakPolarHBondContact O-CB 3.37Å; K177-Q181 PolarHBondContact O-N 2.75Å
178C93Very high89.1Confident55 Ų5595.2 Ų95.237%0.37243%0.434SS..Hα-helixtrans-67-36.3178-179.80000113.3R174 R175 Y176R174-C178 PolarHBondContact O-N 3.31Å; R174-C178 VanDerWaalsContact O-N 3.13Å; R175-C178 PolarHBondContact O-N 2.89Å; Y176-C178 VanDerWaalsContact C-N 3.35Å; Y176-C178 PolarHBondContact O-N 2.95Å
179K94.1Very high87.3Confident106 Ų10698.1 Ų98.146%0.46145%0.451SS..Hα-helixtrans-64.4-48.2172.2-171.5-17572.1165.20110.8R175 Y176 R182 Q183R175-K179 PolarHBondContact O-N 3.49Å; Y176-K179 PolarHBondContact O-N 3.35Å; K179-R182 PolarHBondContact O-N 3.36Å; K179-Q183 PolarHBondContact O-N 3.26Å
180R93.6Very high85.6Confident158 Ų15898.9 Ų98.960%0.59646%0.46SS*.Hα-helixtrans-66-42.6-176.3-178.7163.3-176.1-150.2-3112.2Y176 K177 R182 Q183 D184Y176-R180 WeakPolarHBondContact O-CB 3.35Å; Y176-R180 PolarHBondContact O-N 3.33Å; K177-R180 PolarHBondContact O-N 3.25Å; R180-R182 PolarHBondContact O-N 2.9Å; R180-Q183 PolarHBondContact O-N 3.32Å; R180-D184 VanDerWaalsContact CG-OD2 3.27Å; R180-D184 WeakPolarHBondContact CG-OD2 3.35Å; R180-D184 IonicContact CZ-OD2 3.88Å; R180-D184 IonicContact NE-OD1 3.45Å; R180-D184 PolarHBondContact NE-OD1 3.1Å; R180-D184 IonicContact NE-OD2 3.32Å; R180-D184 PolarHBondContact NE-OD2 3.38Å; R180-D184 IonicContact NH2-OD1 3.91Å; R180-D184 IonicContact NH2-OD2 3.96Å; R180-D184 PolarHBondContact O-N 2.81Å
181Q90.3Very high83.6Confident107 Ų107100.1 Ų100.150%0.548%0.483SS..Hα-helixtrans-55.6-37.7176.2-175.1173.73.800112.8K177 Q185K177-Q181 WeakPolarHBondContact O-CB 3.37Å; K177-Q181 PolarHBondContact O-N 2.75Å; Q181-Q185 WeakPolarHBondContact O-CB 3.27Å; Q181-Q185 WeakPolarHBondContact O-CG 3.28Å; Q181-Q185 PolarHBondContact O-N 3.43Å
182R82.6Confident81.8Confident163 Ų163104.5 Ų104.562%0.61551%0.506SS*.Hα-helixtrans-68.6-39174.2-76.5-171.2-77.6169.5-6112.9K179 R180 T186K179-R182 PolarHBondContact O-N 3.36Å; R180-R182 PolarHBondContact O-N 2.9Å; R182-T186 PolarHBondContact O-N 2.86Å; R182-T186 PolarHBondContact O-OG1 3.2Å; R182-T186 VanDerWaalsContact O-OG1 3.05Å
183Q83.4Confident79.9Confident106 Ų106105.1 Ų105.150%0.49552%0.515SS..Hα-helixtrans-68.7-44.2178-67.6178.7-28.500111.8K179 R180 Q185 T186 L187K179-Q183 PolarHBondContact O-N 3.26Å; R180-Q183 PolarHBondContact O-N 3.32Å; Q183-Q185 VanDerWaalsContact C-N 3.35Å; Q183-Q185 PolarHBondContact O-N 3.12Å; Q183-T186 PolarHBondContact O-N 3.01Å; Q183-L187 WeakPolarHBondContact O-CG 3.22Å; Q183-L187 PolarHBondContact O-N 2.91Å
184D80Confident78.2Confident60 Ų60105.6 Ų105.632%0.32152%0.523SS..Hα-helixtrans-63-41.3177.1-61.7-19.9000110.2R180 T186 L187 E188R180-D184 VanDerWaalsContact CG-OD2 3.27Å; R180-D184 WeakPolarHBondContact CG-OD2 3.35Å; R180-D184 IonicContact CZ-OD2 3.88Å; R180-D184 IonicContact NE-OD1 3.45Å; R180-D184 PolarHBondContact NE-OD1 3.1Å; R180-D184 IonicContact NE-OD2 3.32Å; R180-D184 PolarHBondContact NE-OD2 3.38Å; R180-D184 IonicContact NH2-OD1 3.91Å; R180-D184 IonicContact NH2-OD2 3.96Å; R180-D184 PolarHBondContact O-N 2.81Å; D184-T186 PolarHBondContact O-N 2.85Å; D184-L187 PolarHBondContact O-N 3.39Å; D184-E188 PolarHBondContact O-N 3.02Å
185Q76.4Confident76.7Confident107 Ų107108.2 Ų108.250%0.555%0.55SS..Hα-helixtrans-61.7-38.8172.6-78.7174.3-18.800113.7Q181 Q183 L187 M189Q181-Q185 WeakPolarHBondContact O-CB 3.27Å; Q181-Q185 WeakPolarHBondContact O-CG 3.28Å; Q181-Q185 PolarHBondContact O-N 3.43Å; Q183-Q185 VanDerWaalsContact C-N 3.35Å; Q183-Q185 PolarHBondContact O-N 3.12Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; Q185-M189 WeakPolarHBondContact O-CB 3.47Å; Q185-M189 PolarHBondContact O-N 3.49Å; Q185-M189 VanDerWaalsContact O-N 3.16Å
186T72.5Confident75.2Confident86 Ų86114.5 Ų114.553%0.52857%0.573SS.*Hα-helixtrans-64.3-39173.5-58.60000111.4R182 Q183 D184 M189 V190R182-T186 PolarHBondContact O-N 2.86Å; R182-T186 PolarHBondContact O-OG1 3.2Å; R182-T186 VanDerWaalsContact O-OG1 3.05Å; Q183-T186 PolarHBondContact O-N 3.01Å; D184-T186 PolarHBondContact O-N 2.85Å; T186-M189 PolarHBondContact O-N 3.29Å; T186-V190 HydrophobicContact CG2-CG2 4.4Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.18Å; T186-V190 PolarHBondContact O-N 3.17Å; T186-V190 VanDerWaalsContact O-N 3.08Å
187L64.1Low73.4Confident87 Ų87120.3 Ų120.346%0.45559%0.594SS.*Hα-helixtrans-67.9-41.1179.4-70.9170.5000112.7Q183 D184 Q185 M189 V190 G191 I192Q183-L187 WeakPolarHBondContact O-CG 3.22Å; Q183-L187 PolarHBondContact O-N 2.91Å; D184-L187 PolarHBondContact O-N 3.39Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; L187-M189 VanDerWaalsContact C-N 3.35Å; L187-V190 PolarHBondContact O-N 2.86Å; L187-G191 PolarHBondContact O-N 3.15Å; L187-I192 HydrophobicContact CD2-CD1 4.23Å; L187-I192 PolarHBondContact O-N 3.22Å
188E61.8Low72Confident162 Ų162121 Ų12176%0.75760%0.603SS**Hα-helixtrans-63.2-40.6174.6-71.5-174.2165.800111.7D184 V190 G191D184-E188 PolarHBondContact O-N 3.02Å; E188-V190 PolarHBondContact O-N 3.33Å; E188-G191 PolarHBondContact O-N 3.06Å; E188-G191 VanDerWaalsContact O-N 3.13Å
189M59.7Low70.4Confident169 Ų169122.6 Ų122.683%0.83362%0.621SS**Hα-helixtrans-76.3-19.7-178.6-164.7141.559.100114.3Q185 T186 L187 G191Q185-M189 WeakPolarHBondContact O-CB 3.47Å; Q185-M189 PolarHBondContact O-N 3.49Å; Q185-M189 VanDerWaalsContact O-N 3.16Å; T186-M189 PolarHBondContact O-N 3.29Å; L187-M189 VanDerWaalsContact C-N 3.35Å; M189-G191 VanDerWaalsContact C-N 3.29Å
190V63Low69Low99 Ų99123.3 Ų123.360%0.663%0.633SS**THydrogen-bonded Turntrans-87.90.7170.3-176.30000111.3T186 L187 E188 I192T186-V190 HydrophobicContact CG2-CG2 4.4Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.18Å; T186-V190 PolarHBondContact O-N 3.17Å; T186-V190 VanDerWaalsContact O-N 3.08Å; L187-V190 PolarHBondContact O-N 2.86Å; E188-V190 PolarHBondContact O-N 3.33Å; V190-I192 HydrophobicContact CB-CD1 4.42Å; V190-I192 HydrophobicContact CB-CG1 4.28Å; V190-I192 HydrophobicContact CG1-CD1 3.91Å; V190-I192 HydrophobicContact CG1-CG1 3.88Å; V190-I192 PolarHBondContact O-N 3.45Å; V190-I192 VanDerWaalsContact O-N 3.11Å
191G56.5Low67.5Low60 Ų60120.7 Ų120.762%0.61964%0.637SS**THydrogen-bonded Turntrans64.515.9174.900000114.4L187 E188 M189 P193L187-G191 PolarHBondContact O-N 3.15Å; E188-G191 PolarHBondContact O-N 3.06Å; E188-G191 VanDerWaalsContact O-N 3.13Å; M189-G191 VanDerWaalsContact C-N 3.29Å; G191-P193 VanDerWaalsContact O-CD 3.28Å; G191-P193 WeakPolarHBondContact O-CD 3.46Å
192I61.1Low66.4Low99 Ų99121.7 Ų121.751%0.50865%0.65SS.*  trans-71.9114178-59.2177.4000106.6L187 V190L187-I192 HydrophobicContact CD2-CD1 4.23Å; L187-I192 PolarHBondContact O-N 3.22Å; V190-I192 HydrophobicContact CB-CD1 4.42Å; V190-I192 HydrophobicContact CB-CG1 4.28Å; V190-I192 HydrophobicContact CG1-CD1 3.91Å; V190-I192 HydrophobicContact CG1-CG1 3.88Å; V190-I192 PolarHBondContact O-N 3.45Å; V190-I192 VanDerWaalsContact O-N 3.11Å
193P57.5Low65.5Low76 Ų76121.9 Ų121.949%0.49466%0.662SS.*  trans-60.6137.5-177.724.9-33.5000109G191G191-P193 VanDerWaalsContact O-CD 3.28Å; G191-P193 WeakPolarHBondContact O-CD 3.46Å
194P63.7Low64.5Low107 Ų107120.2 Ų120.270%0.69566%0.659SS**  trans-52.8138.1178.922.1-33.2000109R196P194-R196 PolarHBondContact O-N 2.98Å
195P65.3Low62.9Low127 Ų127128 Ų12883%0.82568%0.684SS**  trans-53109-169.319.1-32.1000109.4R197P195-R197 PolarHBondContact O-N 2.85Å; P195-R197 VanDerWaalsContact O-N 3.16Å
196R66.4Low61.9Low213 Ų213129.8 Ų129.880%0.80470%0.697SS**  trans-56.5125.7-170.1-58.1-176.7-144.3175.37106.9P194 I198P194-R196 PolarHBondContact O-N 2.98Å; R196-I198 PolarHBondContact O-N 3.17Å
197R60.6Low61.1Low245 Ų245128.9 Ų128.993%0.92571%0.705SS**  trans-56.6106.6175.9-79.5-178.8163.6-176.4-5.1107.5P195 A199P195-R197 PolarHBondContact O-N 2.85Å; P195-R197 VanDerWaalsContact O-N 3.16Å; R197-A199 PolarHBondContact O-N 3.05Å
198I66.8Low60.8Low148 Ų148133 Ų13376%0.75972%0.719SS**  trans-59.6114.3170.7-60.1174.1000105R196 V200R196-I198 PolarHBondContact O-N 3.17Å; I198-V200 VanDerWaalsContact C-N 3.33Å; I198-V200 PolarHBondContact O-N 2.84Å
199A58.5Low60.2Low90 Ų90130.1 Ų130.174%0.74472%0.715SS**  trans-63.1102.3169.600000106.2R197 P201R197-A199 PolarHBondContact O-N 3.05Å; A199-P201 WeakPolarHBondContact O-CD 3.27Å; A199-P201 VanDerWaalsContact O-N 3.12Å
200V66.1Low59.6Low120 Ų120128.1 Ų128.173%0.72772%0.716SS**  trans-63.7113.4173.6176.40000105.5I198 V202I198-V200 VanDerWaalsContact C-N 3.33Å; I198-V200 PolarHBondContact O-N 2.84Å; V200-V202 PolarHBondContact O-N 2.85Å; V200-V202 VanDerWaalsContact O-N 3.1Å
201P62.3Low59.2Low103 Ų103130.6 Ų130.667%0.66973%0.725SS**  trans-60.8122.2174.726.1-32.1000106.7A199 L203A199-P201 WeakPolarHBondContact O-CD 3.27Å; A199-P201 VanDerWaalsContact O-N 3.12Å; P201-L203 PolarHBondContact O-N 3.16Å
202V66.3Low58.7Low128 Ų128131.4 Ų131.478%0.77673%0.733SS**  trans-55.5117174.6175.70000106.5V200 V204V200-V202 PolarHBondContact O-N 2.85Å; V200-V202 VanDerWaalsContact O-N 3.1Å; V202-V204 PolarHBondContact O-N 3.09Å
203L64.1Low58Low168 Ų168136 Ų13688%0.8875%0.753SS**  trans-62.2103.1176.9-73.7173.9000107.6P201 R205P201-L203 PolarHBondContact O-N 3.16Å; L203-R205 PolarHBondContact O-N 3.03Å
204V61.5Low57.6Low71 Ų71138 Ų13843%0.4377%0.769SS.*  trans-59.3121.6-175.4179.70000108.7V202 K208V202-V204 PolarHBondContact O-N 3.09Å; V204-K208 VanDerWaalsContact CG1-O 3.28Å; V204-K208 WeakPolarHBondContact CG1-O 3.28Å
205R48Very low56.6Low223 Ų223137.8 Ų137.884%0.84277%0.77SS**THydrogen-bonded Turntrans-76.6127.7161.5-161.8164.1-179.3118.7-1.1107.2L203L203-R205 PolarHBondContact O-N 3.03Å
206D54.3Low55.7Low145 Ų145138.4 Ų138.478%0.77577%0.773SS**THydrogen-bonded Turntrans72.129.7178.3-43.7-39.2000116.3K208D206-K208 PolarHBondContact O-N 3.44Å; D206-K208 VanDerWaalsContact O-N 3.15Å
207G56Low54.3Low67 Ų67137.4 Ų137.469%0.69177%0.771SS**SBendtrans74.77.5146.600000119.2
208K57.5Low53.7Low173 Ų173131 Ų13175%0.75276%0.764SS**  trans-119.1117.3173.8-64.5-166.5179.9-173.40112.9V204 D206 C210V204-K208 VanDerWaalsContact CG1-O 3.28Å; V204-K208 WeakPolarHBondContact CG1-O 3.28Å; D206-K208 PolarHBondContact O-N 3.44Å; D206-K208 VanDerWaalsContact O-N 3.15Å; K208-C210 PolarHBondContact O-N 3.18Å
209P48.6Very low52.3Low102 Ų102127 Ų12766%0.66275%0.749SS**  trans-67.4115.6170.128-31.3000109L211P209-L211 PolarHBondContact O-N 2.97Å
210C48.6Very low51.8Low126 Ų126128.5 Ų128.585%0.85175%0.751SS**  trans-74.869.4173.652.50000110.8K208 G212K208-C210 PolarHBondContact O-N 3.18Å; C210-G212 PolarHBondContact O-N 2.99Å
211L53.9Low50.4Low151 Ų151132 Ų13279%0.79175%0.753SS**  trans-69.6113.1153.9-66.6179.2000106.6P209 E213P209-L211 PolarHBondContact O-N 2.97Å; L211-E213 PolarHBondContact O-N 3.25Å
212G46.1Very low49.7Very low78 Ų78134 Ų13480%0.80476%0.758SS**  trans-66.9113.5175.600000110.2C210 S214C210-G212 PolarHBondContact O-N 2.99Å; G212-S214 PolarHBondContact O-N 3.12Å; G212-S214 VanDerWaalsContact O-N 3.12Å
213E46.5Very low48.7Very low196 Ų196133.4 Ų133.492%0.91675%0.754SS**  trans-69.5102.2171.9-68.9173.3123.600109.7L211L211-E213 PolarHBondContact O-N 3.25Å
214S48.1Very low47.8Very low118 Ų118129.8 Ų129.883%0.82574%0.743SS**  trans172.278.6147.238.50000113.3G212G212-S214 PolarHBondContact O-N 3.12Å; G212-S214 VanDerWaalsContact O-N 3.12Å
215S42.7Very low46.8Very low102 Ų102133.3 Ų133.371%0.71376%0.758SS**  trans-165.1119.6143.5-167.10000111.9Y217S215-Y217 PolarHBondContact O-N 3.05Å; S215-Y217 VanDerWaalsContact O-N 3.09Å
216P47.7Very low46.3Very low139 Ų139129.4 Ų129.490%0.90375%0.753SS**  trans-83.766.2170.335.7-33.7000110.3
217Y37Very low45.9Very low192 Ų192127.5 Ų127.575%0.75375%0.749SS**  trans-112.199.3168.2-159.6-96.4000110.6S215 S219S215-Y217 PolarHBondContact O-N 3.05Å; S215-Y217 VanDerWaalsContact O-N 3.09Å; Y217-S219 PolarHBondContact O-N 3.06Å; Y217-S219 VanDerWaalsContact O-N 3.17Å
218S47.4Very low45.2Very low111 Ų111134.5 Ų134.578%0.77676%0.756SS**  trans-63.7111.7171.5-175.30000109.5
219S37.3Very low44.3Very low65 Ų65132 Ų13246%0.45576%0.76SS.*  trans-109.8118.6172.6-167.30000109.5Y217 Y221Y217-S219 PolarHBondContact O-N 3.06Å; Y217-S219 VanDerWaalsContact O-N 3.17Å; S219-Y221 PolarHBondContact O-N 3.16Å; S219-Y221 VanDerWaalsContact OG-CE2 3.25Å; S219-Y221 WeakPolarHBondContact OG-CE2 3.25Å
220P47.9Very low43.9Very low120 Ų120136.4 Ų136.478%0.77977%0.765SS**  trans-83.584.6-169.833.4-35.2000111.5
221Y36.9Very low43.8Very low195 Ų195136.3 Ų136.377%0.76576%0.756SS**  trans-107.987.4165.6-67.1-68.2000110.4S219 V223S219-Y221 PolarHBondContact O-N 3.16Å; S219-Y221 VanDerWaalsContact OG-CE2 3.25Å; S219-Y221 WeakPolarHBondContact OG-CE2 3.25Å; Y221-V223 VanDerWaalsContact C-N 3.31Å; Y221-V223 PolarHBondContact O-N 3.47Å
222N48Very low43Very low144 Ų144133.8 Ų133.877%0.7776%0.757SS**  trans-70.389170-163.4-56000108.9S224N222-S224 PolarHBondContact O-N 3.42Å; N222-S224 PolarHBondContact OD1-OG 3.22Å
223V44.6Very low42.7Very low116 Ų116140.3 Ų140.370%0.70376%0.759SS**  trans-83.593169.9-179.80000107.5Y221 I225Y221-V223 VanDerWaalsContact C-N 3.31Å; Y221-V223 PolarHBondContact O-N 3.47Å; V223-I225 PolarHBondContact O-N 3.04Å
224S45.6Very low42.8Very low91 Ų91136 Ų13664%0.63675%0.748SS**  trans-64.1103.6173.4-44.90000109.7N222 N226N222-S224 PolarHBondContact O-N 3.42Å; N222-S224 PolarHBondContact OD1-OG 3.22Å; S224-N226 PolarHBondContact O-N 3.45Å; S224-N226 VanDerWaalsContact O-N 3.16Å
225I39.7Very low42.3Very low146 Ų146134.6 Ų134.675%0.74974%0.744SS**  trans-73.9101.1174.3-70.5164.1000108V223V223-I225 PolarHBondContact O-N 3.04Å
226N37.9Very low42Very low141 Ų141141 Ų14175%0.75475%0.754SS**  trans-101.8109.3163-82.2-10.9000108.8S224S224-N226 PolarHBondContact O-N 3.45Å; S224-N226 VanDerWaalsContact O-N 3.16Å
227P45.2Very low41.6Very low105 Ų105139.4 Ų139.468%0.68274%0.742SS**  trans-76.3128.7172.730.7-31.4000110.2
228Y41.4Very low42.2Very low214 Ų214137.4 Ų137.484%0.83974%0.744SS**  trans58.5101.4172.1-78.4-92.6000117.7
229S38.4Very low41.8Very low120 Ų120141.7 Ų141.784%0.83975%0.745SS**  trans-124.692.9149.2-57.90000108.2
230Y40.5Very low42.4Very low195 Ų195146 Ų14677%0.76576%0.762SS**  trans-85.9137.4173.7-163-100.1000108.4
231N47.2Very low41.9Very low123 Ų123144.9 Ų144.966%0.65876%0.758SS**  trans7989.9-172.4-51.8-57.2000116.9
232A37Very low42.5Very low99 Ų99141.5 Ų141.582%0.81876%0.76SS**  trans-137.484.2147.200000108.2P234A232-P234 WeakPolarHBondContact O-CD 3.45Å
233Y38.6Very low42.2Very low215 Ų215138.9 Ų138.984%0.84376%0.758SS**PPolyproline II helixtrans-72.3123.3168.6-90.1-89000108.5A235Y233-A235 PolarHBondContact O-N 3.46Å
234P48.9Very low41.8Very low104 Ų104139.2 Ų139.268%0.67576%0.764SS**PPolyproline II helixtrans-69.1125165.829.1-31.4000108.3A232 Y236A232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-Y236 PolarHBondContact O-N 3.36Å
235A39.3Very low41.4Very low90 Ų90142.1 Ų142.174%0.74477%0.773SS**PPolyproline II helixtrans-63.5126170.400000109Y233 T237Y233-A235 PolarHBondContact O-N 3.46Å; A235-T237 VanDerWaalsContact C-N 3.34Å; A235-T237 PolarHBondContact O-N 3.08Å
236Y35.8Very low41.2Very low235 Ų235138.9 Ų138.992%0.92277%0.767SS**  trans-70.392.6171.6-85.5-89.2000109.3P234P234-Y236 PolarHBondContact O-N 3.36Å
237T39.8Very low41.4Very low106 Ų106138.5 Ų138.565%0.6577%0.765SS**  trans-69.5136.3163.337.10000109.8A235 Y239A235-T237 VanDerWaalsContact C-N 3.34Å; A235-T237 PolarHBondContact O-N 3.08Å; T237-Y239 PolarHBondContact O-N 3.13Å
238N47.8Very low41.1Very low150 Ų150143.6 Ų143.680%0.80277%0.772SS**  trans-59.6116.6-177.5-175.7-27.2000110.9
239Y39.8Very low41Very low201 Ų201140.1 Ų140.179%0.78877%0.768SS**  trans-124.397.9166.9-88.1-78.2000110.8T237 S241T237-Y239 PolarHBondContact O-N 3.13Å; Y239-S241 PolarHBondContact O-N 3.48Å
240N49.9Very low40.9Very low155 Ų155144.3 Ų144.383%0.82977%0.767SS**  trans-61.2120.3157.5-171.832.2000108.7
241S37.5Very low41.1Very low98 Ų98140.2 Ų140.269%0.68577%0.765SS**  trans-141.4135.8178-166.70000108.9Y239 A243Y239-S241 PolarHBondContact O-N 3.48Å; S241-A243 PolarHBondContact O-N 3.02Å
242P48.9Very low40.8Very low124 Ų124139.9 Ų139.981%0.80577%0.772SS**  trans-69.7123.2-161.425.9-34.1000112
243A41.5Very low41Very low88 Ų88143 Ų14373%0.72777%0.771SS**  trans-58.2150.8161.700000110.1S241 N245S241-A243 PolarHBondContact O-N 3.02Å; A243-N245 PolarHBondContact O-N 3.17Å; A243-N245 VanDerWaalsContact O-N 3.12Å
244C36.4Very low41Very low124 Ų124141.7 Ų141.784%0.83877%0.773SS**  trans-45.7119.8169.845.20000111.2A246C244-A246 PolarHBondContact O-N 3.42Å
245N39Very low40.6Very low152 Ų152143.3 Ų143.381%0.81378%0.782SS**  trans-63.8105.4-177.5-177.4-3.1000110.3A243 N247A243-N245 PolarHBondContact O-N 3.17Å; A243-N245 VanDerWaalsContact O-N 3.12Å; N245-N247 PolarHBondContact OD1-N 3.26Å
246A34Very low40.6Very low77 Ų77148 Ų14864%0.63679%0.79SS**  trans-121.385.2163.700000107C244 Y248C244-A246 PolarHBondContact O-N 3.42Å; A246-Y248 PolarHBondContact O-N 3.11Å
247N42.6Very low40.8Very low133 Ų133145.7 Ų145.771%0.71179%0.788SS**  trans-59.8101.6-177.9-173.917.3000111.5N245N245-N247 PolarHBondContact OD1-N 3.26Å
248Y38.5Very low41.1Very low212 Ų212146.4 Ų146.483%0.83179%0.794SS**  trans-131.3102164.2-80.6-78.9000108.5A246A246-Y248 PolarHBondContact O-N 3.11Å
249N39.3Very low40.5Very low141 Ų141145.1 Ų145.175%0.75480%0.797SS**  trans-74.4123.9178.5-177.122.3000110.6
250Y36.3Very low40.3Very low208 Ų208140.5 Ų140.582%0.81680%0.8SS**  trans-137.5131.5161.9-99.7-86.1000108.1S252Y250-S252 PolarHBondContact O-N 2.94Å
251P46.1Very low39.8Very low110 Ų110137.9 Ų137.971%0.71480%0.801SS**PPolyproline II helixtrans-74.1123.6-178.329.1-33.4000111.2
252S40.8Very low39.7Very low116 Ų116136.8 Ų136.881%0.81181%0.805SS**PPolyproline II helixtrans-80.3125.5171.2-1760000110.4Y250Y250-S252 PolarHBondContact O-N 2.94Å
253M41.4Very low39.4Very low163 Ų163138.1 Ų138.180%0.80381%0.805SS**PPolyproline II helixtrans-66.4146168.6-77.3-78.6109.700111.2
254Q38.3Very low39.3Very low188 Ų188142 Ų14288%0.87981%0.813SS**PPolyproline II helixtrans-78.1128.6175.9-70.1163.1-55.300110.6
255T38.9Very low39.3Very low139 Ų139145.2 Ų145.285%0.85381%0.814SS**  trans-94.8110.6169.654.50000109.8
256M40.1Very low39.7Very low188 Ų188146.6 Ų146.693%0.92682%0.817SS**PPolyproline II helixtrans-75.8145173-77-148.8161.900112.3
257Q39.8Very low39.9Very low186 Ų186149.2 Ų149.287%0.86982%0.821SS**PPolyproline II helixtrans-99.9121-174.5176.2-178.3-23.900109.8
258P46Very low39.7Very low122 Ų122152.3 Ų152.379%0.79283%0.828SS**PPolyproline II helixtrans-78131.1173.1-11.427.9000110.9
259S34.6Very low39.8Very low122 Ų122145.2 Ų145.285%0.85382%0.819SS**PPolyproline II helixtrans-84.1134.2169.6-168.90000109.9
260A36.9Very low39.6Very low104 Ų104145.9 Ų145.986%0.8683%0.828SS**PPolyproline II helixtrans-102121.9-179.300000111.3
261A38.6Very low39.6Very low101 Ų101139.3 Ų139.384%0.83582%0.824SS**  trans-150143.1169.900000110.3
262G35Very low39.3Very low75 Ų75141.6 Ų141.677%0.77383%0.83SS**  trans91.894.4160.400000117.2
263N44.2Very low39.3Very low151 Ų151143.7 Ų143.781%0.80783%0.831SS**  trans-6.4136.1150-54-38.9000118.4
264N38.2Very low39Very low169 Ų169142.8 Ų142.890%0.90483%0.829SS**  -160135126.7-97-45000111.6
265F37.8Very low39Very low193 Ų193139.1 Ų139.185%0.84683%0.825SS**  trans-81.7141.7174.3-90.5-112.3000110.7
266M46.8Very low38.9Very low180 Ų180139 Ų13989%0.88782%0.823SS**  trans-144.5132.2133-78.2-154175.900110.3
267N37.8Very low38.7Very low133 Ų133138.2 Ų138.271%0.71182%0.818SS**  trans-108.1130.1-179165.935.6000108.8
268F38.7Very low38.7Very low198 Ų198135.7 Ų135.787%0.86882%0.815SS**  trans-142.7119.4158.8-79-75000110.1
269G40.1Very low38.7Very low62 Ų62135.6 Ų135.664%0.63981%0.814SS**  trans-142.5127.7169.300000110.3
270V36.3Very low39.2Very low156 Ų156137.4 Ų137.495%0.94581%0.813SS**  trans-172.9142161.6-94.50000105.5
271G36Very low39.8Very low70 Ų70138.1 Ų138.172%0.72281%0.809SS**  cis-166.3179.2-2.800000110.7
272D38.4Very low40Very low158 Ų158143 Ų14385%0.84581%0.814SS**  trans-57.4157.2-172.6-63.5-98.6000117.3
273L41.9Very low39.9Very low159 Ų159142.9 Ų142.983%0.83281%0.813SS**  -169137.5117.2-100.1161.5000113.4
274N35.6Very low39.6Very low144 Ų144143.7 Ų143.777%0.7782%0.817SS**  trans-4.9155.6151.5-76.5-61000120.1
275S36.5Very low40.2Very low112 Ų112140.9 Ų140.978%0.78382%0.818SS**  cis-161.4164.417.322.20000113.5
276V38.4Very low40.2Very low135 Ų135134.9 Ų134.982%0.81881%0.81SS**  trans-76.5148.3169.7173.30000111.4
277Q34.8Very low40.2Very low173 Ų173134 Ų13481%0.80881%0.808SS**  142.6109130-166.5149.821.100115.8
278T39.5Very low40.5Very low132 Ų132133.3 Ų133.381%0.8181%0.813SS**  trans-143.6132.2154.247.80000109.8
279P46.8Very low40.9Very low121 Ų121128.6 Ų128.679%0.78680%0.8SS**  trans-92.7143.7179.934.4-32.5000112.8
280I44Very low41.5Very low159 Ų159134.1 Ų134.182%0.81581%0.814SS**  trans-121.1131.8168.3-63.9177.6000107.7
281P49.6Very low42.1Very low120 Ų120134.8 Ų134.878%0.77981%0.807SS**  trans-76.9153.7-172.130.4-35.6000113.9
282Q43.7Very low42.5Very low204 Ų204134.6 Ų134.695%0.95381%0.805SS**  trans-68.1146.5173.9-66.8173.1-42.800112
283G33.5Very low42.9Very low72 Ų72135.4 Ų135.474%0.74281%0.807SS**  trans-158.892.1176.600000113.9
284N38.2Very low43.5Very low168 Ų168138.3 Ų138.390%0.89881%0.807SS**  trans53.1127160.4-73.612.1000121.9G286N284-G286 PolarHBondContact O-N 3.26Å
285A48.9Very low43.9Very low110 Ų110136 Ų13691%0.90981%0.808SS**  trans-61.9125.8161.400000111.7
286G39.7Very low44.8Very low67 Ų67146 Ų14669%0.69183%0.829SS**  trans-111.7121.8173.100000111.3N284 S288N284-G286 PolarHBondContact O-N 3.26Å; G286-S288 PolarHBondContact O-N 3.39Å
287I46.7Very low45.1Very low162 Ų162146.6 Ų146.683%0.83183%0.829SS**  trans-67.7110.9-176.2-57.9160.9000109.8T289I287-T289 PolarHBondContact O-N 3.26Å
288S42.7Very low45.6Very low117 Ų117145.2 Ų145.282%0.81883%0.831SS**  trans-70.798175.6-81.40000111.4G286 L290G286-S288 PolarHBondContact O-N 3.39Å; S288-L290 PolarHBondContact O-N 3.16Å
289T47.8Very low46Very low100 Ų100145.9 Ų145.961%0.61383%0.832SS**  trans-76.5114169.456.20000110.1I287 H291I287-T289 PolarHBondContact O-N 3.26Å; T289-H291 PolarHBondContact O-N 3Å; T289-H291 PolarHBondContact OG1-ND1 3.23Å
290L51.7Low45.9Very low178 Ų178147.4 Ų147.493%0.93283%0.834SS**  trans-69.177.5174.7-83.9164.9000111.3S288 G292S288-L290 PolarHBondContact O-N 3.16Å; L290-G292 PolarHBondContact O-N 2.93Å
291H50.7Low46Very low170 Ų170146.7 Ų146.779%0.78784%0.836SS**  trans-81.2114.4172.5-91.292000111.7T289T289-H291 PolarHBondContact O-N 3Å; T289-H291 PolarHBondContact OG1-ND1 3.23Å
292G42.8Very low45.8Very low66 Ų66148.5 Ų148.568%0.6884%0.839SS**  trans91.857.1144.500000118.2L290 R294L290-G292 PolarHBondContact O-N 2.93Å; G292-R294 PolarHBondContact O-N 3.34Å
293I48.2Very low46Very low174 Ų174144.5 Ų144.589%0.89283%0.831SS**  trans-68.389154-59.1170.1000108.2A295I293-A295 PolarHBondContact O-N 3.36Å
294R54.3Low46.9Very low221 Ų221150.1 Ų150.183%0.83484%0.838SS**  trans-81.8105.7162.7-87.6-178.1175.4-101.2-0.4108.7G292G292-R294 PolarHBondContact O-N 3.34Å
295A44.1Very low47.6Very low95 Ų95148.6 Ų148.679%0.78583%0.833SS**  trans-58.1139.6161.800000110I293I293-A295 PolarHBondContact O-N 3.36Å
296W54.2Low47.5Very low323 Ų323152.1 Ų152.1100%1.22383%0.826SS**  trans-96.90176.5-75.375.5000110.8

Retrieved 296 of 296 residues in 205.6 ms (Link to these results)