A0A3Q0KDP9_SCHMA Loading...

Neural gene activation protein

AlphaFold DB , UniProt , Accession A0A3Q0KDP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,019 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
1M35.5Very low37.4Very low241 Ų241156.1 Ų156.1100%1.18783%0.83SS**  0123.60-65.6173176.500106.6
2D41.6Very low36.9Very low144 Ų144154.7 Ų154.777%0.7782%0.82SS**  cis-121.9121.1-3.2-168.212.9000110.8
3P37.9Very low36.6Very low113 Ų113152.8 Ų152.873%0.73481%0.81SS**  trans-107.292.8-172.337.3-27.9000113.1
4Q42.4Very low36.5Very low160 Ų160150 Ų15075%0.74880%0.796SS**  trans-130.8-11173.6-75.3-148.2-7.500117.7
5L42.4Very low36.6Very low179 Ų179150.7 Ų150.794%0.93781%0.808SS**SBendtrans-114.140.4178.3-69176.5000113.8
6L37.2Very low36.5Very low183 Ų183145.8 Ų145.896%0.95879%0.785SS**SBendtrans-121.452.4158.9-159.574.9000110.3
7A37.4Very low36.4Very low77 Ų77144.3 Ų144.364%0.63678%0.777SS**  trans-127.3162.5169.800000108.5
8Q37.7Very low36.2Very low192 Ų192143.8 Ų143.890%0.89777%0.774SS**  trans7055.1-169.2-54.9-1740.600114.6
9S33.5Very low36.1Very low91 Ų91145.7 Ų145.764%0.63678%0.777SS**  -64.9166.1129.446.10000110.7
10F31.7Very low36.1Very low187 Ų187144.3 Ų144.382%0.8277%0.774SS**  trans84.1152.3179.7-53.7-76000117.3
11N34.1Very low36.1Very low150 Ų150144 Ų14480%0.80277%0.772SS**  trans62.1114.1-168.5-64.8-3.9000113.9
12I31.6Very low36Very low139 Ų139139.5 Ų139.571%0.71375%0.753SS**  cis63120.519.1-55.4177.5000112.9
13N32.3Very low35.8Very low130 Ų130140.6 Ų140.670%0.69576%0.758SS**  trans67.8146.2-177.5-56-10.5000113.4
14D35.9Very low35.6Very low114 Ų114143.9 Ų143.961%0.6176%0.761SS**  cis-139.1134.816.9-80.7-63.3000113.7T16D14-T16 WeakPolarHBondContact OD1-CG2 3.16Å; D14-T16 PolarHBondContact OD1-OG1 3Å
15V37.3Very low35.3Very low160 Ų160143.4 Ų143.497%0.9776%0.763SS**SBend-132.568128.5-175.60000106.5
16T36.1Very low34.8Very low72 Ų72139.8 Ų139.844%0.44275%0.752SS.*  trans-85.2152.2172.453.70000110.5D14D14-T16 WeakPolarHBondContact OD1-CG2 3.16Å; D14-T16 PolarHBondContact OD1-OG1 3Å
17N34.4Very low34.9Very low121 Ų121135.2 Ų135.265%0.64774%0.741SS**  170.9120.7109.5-91.8-64.5000111
18N32.4Very low34.8Very low136 Ų136140.3 Ų140.373%0.72775%0.752SS**  trans63.4146.1136-50.7-25.1000118.8
19Q35.5Very low34.8Very low180 Ų180139.5 Ų139.584%0.84175%0.748SS**  cis-124.3150.523-66.7165.7-25.400113.9
20T34.2Very low35.2Very low116 Ų116141.5 Ų141.571%0.71275%0.751SS**  trans-101.1161.5160.347.40000109.7
21N37.8Very low35.4Very low138 Ų138138.5 Ų138.574%0.73874%0.743SS**  trans132.2115.7159.5-67.9-34000110.7
22N33.5Very low35.5Very low147 Ų147138.9 Ų138.979%0.78674%0.74SS**  68.3102.464.3-75.1-44000114.1
23L36.7Very low35.9Very low167 Ų167140.2 Ų140.287%0.87474%0.743SS**  trans171.5114.3148.4-91.8164.8000104.9
24K33.2Very low36Very low182 Ų182139.4 Ų139.479%0.79175%0.748SS**  cis93.4137.637.4-171172.4173.9173.20112.6
25L35.6Very low36.4Very low150 Ų150139.1 Ų139.179%0.78575%0.752SS**  trans83.7146.7-176.8-50.3167000114
26S33.8Very low36.5Very low103 Ų103139.9 Ų139.972%0.7275%0.745SS**  cis-169173.6-17.5-101.40000111.3
27A38.5Very low36.6Very low87 Ų87141.3 Ų141.372%0.71975%0.753SS**  trans71.5128.5175.900000115.1
28E34.2Very low36.8Very low184 Ų184142.6 Ų142.686%0.8676%0.76SS**  cis68.698.421.1-50.7-174124.500116.4
29H39.5Very low36.9Very low176 Ų176143.2 Ų143.282%0.81576%0.764SS**  -156.5159.3129.5-135-113.3000114.2
30L40.8Very low37.6Very low133 Ų133139.5 Ų139.570%0.69676%0.755SS**  trans-51.3171-177.3-49.5175.2000115.6
31N36.9Very low37.9Very low124 Ų124140.5 Ų140.566%0.66376%0.761SS**  cis-155.9167.816.8-149.413.8000114.6
32E34.5Very low37.8Very low158 Ų158137.8 Ų137.874%0.73877%0.766SS**  trans-67.6159.7166.3-55.4168.3107.700112.7
33H41.5Very low37.9Very low167 Ų167134 Ų13477%0.77376%0.761SS**  -178121.7117.3-98.647.2000112
34S34.1Very low37.7Very low113 Ų113135.9 Ų135.979%0.7976%0.763SS**  trans-104.5159.6153.1-72.30000108.5
35P44Very low37.8Very low108 Ų108134.4 Ų134.470%0.70176%0.763SS**  -153.3156.4106.341.1-24.7000116.2
36Q39.5Very low37.8Very low176 Ų176131.7 Ų131.782%0.82276%0.757SS**  45.7149.2125.5-58.7-171.4-14.600121.4
37T37.9Very low37.7Very low101 Ų101133.6 Ų133.662%0.6276%0.759SS**  cis-172.8178.32.821.40000110.5
38N38.7Very low37.4Very low148 Ų148137.8 Ų137.879%0.79176%0.763SS**  trans99.874.6150.9-55.1-41.6000119.6
39D34.9Very low37.4Very low149 Ų149134 Ų13480%0.79776%0.756SS**  -44.1162123.1-107.1-44.1000112.6
40P48.9Very low36.9Very low103 Ų103130.9 Ų130.967%0.66976%0.755SS**  -160.1-177.270.242.9-20.9000119.5
41T40.6Very low36.5Very low137 Ų137133.6 Ų133.684%0.8477%0.766SS**  trans72.2135.3168.867.20000116.5
42G37.3Very low36.3Very low81 Ų81132.4 Ų132.484%0.83577%0.768SS**  cis108129.3500000112.2
43G34.7Very low36.3Very low66 Ų66131 Ų13168%0.6877%0.765SS**  cis178.2-168.4-3.300000111.3
44F32.8Very low36Very low207 Ų207129.4 Ų129.491%0.90876%0.758SS**  trans73.4140.8169.6-77.7-84.9000121.3
45L35.6Very low36.1Very low151 Ų151130.7 Ų130.779%0.79176%0.756SS**  trans76.2105.9153.4-66.5163.5000122.1
46S34.8Very low35.6Very low94 Ų94131.8 Ų131.866%0.65776%0.756SS**  83.3121.4123.1-58.80000123
47N32.4Very low35.2Very low143 Ų143135 Ų13577%0.76576%0.76SS**  trans70.1117.5139.9-70.5-4.2000122.7
48H32.3Very low34.8Very low175 Ų175139 Ų13981%0.8177%0.774SS**  trans77.3157.8138.7-85.8-101.7000121.3
49S32.8Very low34.6Very low103 Ų103137.2 Ų137.272%0.7277%0.773SS**  trans74.582.4161.7-57.50000118.7
50S30Very low34.4Very low111 Ų111134.9 Ų134.978%0.77677%0.769SS**  27121.1124.859.90000119.9
51M33.2Very low33.7Very low191 Ų191138.5 Ų138.594%0.94178%0.782SS**  trans-153.4145.7136.1-110.7173.783.100111.2
52S31.8Very low33.2Very low99 Ų99140 Ų14069%0.69278%0.777SS**  trans-109.9151.5179.852.50000110.8
53N33.8Very low33.1Very low129 Ų129147.5 Ų147.569%0.6978%0.78SS**  trans-170.2155135.7-109.4-31.9000117.8
54H36Very low33.4Very low132 Ų132147.6 Ų147.661%0.61177%0.768SS**  trans49.1108.3151-54-32.7000121.5
55N36Very low33.4Very low141 Ų141140.5 Ų140.575%0.75475%0.754SS**  173.911591.3-88.4-56.2000110.5
56N33Very low33.4Very low131 Ų131142.8 Ų142.870%0.70176%0.76SS**  79.385.573.7-76.1-36.7000115.9
57R31.9Very low33.4Very low242 Ų242147.4 Ų147.491%0.91377%0.772SS**  -167.298.6121.8-112.7177.8173178.2-1.9112.9
58M29.8Very low33.3Very low186 Ų186149.7 Ų149.792%0.91678%0.778SS**  trans-83.9140.8154.9-6617481.200108.5
59S33.4Very low33.3Very low111 Ų111146.9 Ų146.978%0.77678%0.777SS**  trans-119.686.7168.3-68.60000109.7L61S59-L61 PolarHBondContact O-N 3.27Å
60S30.7Very low33.2Very low100 Ų100148.7 Ų148.770%0.69978%0.779SS**  trans-72.7114.1172.750.30000110.6F62S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.33Å
61L34.2Very low33.2Very low179 Ų179151 Ų15194%0.93778%0.778SS**  trans-80.386.2168.1-80.2172.9000110.1S59S59-L61 PolarHBondContact O-N 3.27Å
62F31.5Very low33.1Very low169 Ų169149.2 Ų149.274%0.74177%0.771SS**  trans-67.1132.2-179.7-151.6-98.2000111.2S60 P64S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 3.33Å; F62-P64 HydrophobicContact CD1-CB 4.43Å; F62-P64 WeakPolarHBondContact O-CD 3.24Å
63W35.2Very low33Very low238 Ų238151.2 Ų151.290%0.90277%0.773SS**  trans-90.3109.1165.5-105.591.9000108.9G65W63-G65 PolarHBondContact O-N 3.25Å
64P39.3Very low32.9Very low67 Ų67151.8 Ų151.844%0.43578%0.776SS.*  trans-82.8110.4-166.3-11.828.3000113.4F62 R247F62-P64 HydrophobicContact CD1-CB 4.43Å; F62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-R247 PolarHBondContact O-NH1 3.3Å; P64-R247 PolarHBondContact O-NH2 3.06Å
65G34.5Very low32.7Very low58 Ų58153.2 Ų153.260%0.59878%0.783SS**  trans64.2113133.600000118.8W63W63-G65 PolarHBondContact O-N 3.25Å
66Q33.9Very low32.6Very low200 Ų200153.8 Ų153.894%0.93579%0.786SS**  trans-94123149.9-169.1177.122.900106.7
67Q35.5Very low32.6Very low191 Ų191152.2 Ų152.289%0.89379%0.785SS**  trans-117143.8178.1-86.1-177.1-40.600110.9
68Q29.6Very low32.8Very low191 Ų191146.6 Ų146.689%0.89378%0.78SS**  trans-106.3134.3176.7-69175.4-39.300110.6
69S33.1Very low33.1Very low115 Ų115143.5 Ų143.580%0.80477%0.772SS**  trans-160.893.8158.853.90000107.5
70N30.1Very low33.2Very low141 Ų141145.1 Ų145.175%0.75477%0.772SS**  71.9110.881.3-87.9-8.5000115.8
71Q30.5Very low33.4Very low161 Ų161145.9 Ų145.975%0.75277%0.768SS**  trans84.5156.3140.1-62-178.426.300121.2
72L30.4Very low33.6Very low153 Ų153143 Ų14380%0.80175%0.754SS**  trans71.2107.6177.8-57.3168.9000114.8
73I30.9Very low33.8Very low141 Ų141141.1 Ų141.172%0.72375%0.751SS**  cis104.7152.629.7-64.1172.8000111.9
74D32.3Very low33.7Very low141 Ų141136 Ų13675%0.75474%0.741SS**  trans71.9106.4-174.2-54.1-34.5000114.9
75E31.3Very low33.5Very low162 Ų162139.7 Ų139.776%0.75776%0.755SS**  88.4108.751.8-75.3-146.2156.200114.3
76N32.6Very low33.2Very low153 Ų153144.3 Ų144.382%0.81877%0.765SS**  176.1155.7107.5-98-79.2000113.2
77S33.4Very low33.3Very low97 Ų97137.9 Ų137.968%0.67875%0.752SS**  trans-147166.7174.1-168.50000108.2
78P37.1Very low33.3Very low125 Ų125134.6 Ų134.681%0.81275%0.75SS**  -157.5-167.999.740.8-20000116.5
79T36Very low33.5Very low121 Ų121132.7 Ų132.774%0.74275%0.746SS**  trans-116.4165.4-167.353.70000115.2
80N35.9Very low34.1Very low145 Ų145132.8 Ų132.878%0.77574%0.744SS**  trans-177.4155.7152.6-102.6-10000111.6
81N35.3Very low34.2Very low115 Ų115129.1 Ų129.162%0.61574%0.74SS**  cis-170.8158-28.7-133.60000112.2
82N38.1Very low34.4Very low120 Ų120132.7 Ų132.764%0.64275%0.748SS**  trans65.4158.1152.4-59.6-16.7000119
83N36Very low34.5Very low128 Ų128130.9 Ų130.968%0.68475%0.748SS**  cis-169.3176.1-7.1-105.4-4.3000108.2
84L32.9Very low34.5Very low131 Ų131127.2 Ų127.269%0.68675%0.745SS**  cis-178.6173.6-28-170.364.2000108.6
85I33.5Very low34.6Very low145 Ų145129.2 Ų129.274%0.74475%0.749SS**  trans79.3151.2163.6-51.4-177.8000117.1
86I30Very low34.5Very low155 Ų155125.8 Ų125.880%0.79574%0.743SS**  176.1145.9-53.7-91.2160.5000110.3
87G34.1Very low34.7Very low64 Ų64126.6 Ų126.666%0.6675%0.748SS**  trans125.5128.6163.900000114.9
88S36.9Very low34.4Very low123 Ų123127.1 Ų127.186%0.8675%0.751SS**  cis93.2133.343.1-70.80000113.4
89N32.8Very low34.4Very low151 Ų151128 Ų12881%0.80775%0.753SS**  cis-154.8-147.3-14.6-154.93.9000110.2
90P45.4Very low34.4Very low116 Ų116129 Ų12975%0.75376%0.755SS**  trans-124.6-174.8-13941.9-21.3000117
91G32.3Very low34.5Very low65 Ų65131 Ų13167%0.6776%0.762SS**  trans-174.9131.3166.800000118.5
92Y35.2Very low34.8Very low236 Ų236131.6 Ų131.693%0.92577%0.765SS**  trans69.7166159.5-75.1-82.8000121.6
93S32.2Very low34.9Very low115 Ų115131.4 Ų131.480%0.80477%0.77SS**  trans-157.1150.8-139.155.80000114.6
94G31.3Very low35.2Very low64 Ų64131 Ų13166%0.6677%0.766SS**  trans-177.2122.6166.300000117.7
95H34.3Very low35.7Very low183 Ų183132.7 Ų132.785%0.84777%0.771SS**  trans61.192.5144.2-58.696.7000122
96S30Very low36.1Very low89 Ų89129 Ų12962%0.62276%0.758SS**  43119.1120.860.70000121.6
97N35.8Very low36.8Very low171 Ų171125.6 Ų125.691%0.91475%0.748SS**  -174165.8105.3-90.7-30.4000112.7
98S27Very low37.4Very low108 Ų108126.9 Ų126.976%0.75574%0.743SS**  trans-118136.7-163.8-177.90000114.4
99V37.9Very low37.9Very low142 Ų142126.8 Ų126.886%0.86173%0.732SS**  trans-149.7149.6160.6-173.20000109.5
100D35.3Very low38.4Very low144 Ų144125.5 Ų125.577%0.7772%0.721SS**  trans-81.3173.3-160-50.3-92.6000118.5
101M39Very low38.5Very low186 Ų186122.9 Ų122.992%0.91671%0.705SS**  trans-110.1162.3-179.6-84.6-73.8-177.300113.9
102N41Very low39.4Very low128 Ų128124 Ų12468%0.68470%0.699SS**  trans-101.6141.8-161.1-81.7-98000115.8I104N102-I104 HydrophobicContact CB-CD1 4.42Å; N102-I104 HydrophobicContact CB-CG1 4.45Å; N102-I104 PolarHBondContact O-N 3.47Å
103P39.6Very low40.2Very low116 Ų116117.9 Ų117.975%0.75368%0.682SS**  trans-91.752.3-172.138.7-39000114.4
104I43Very low41.2Very low118 Ų118115.2 Ų115.261%0.60567%0.667SS**  trans-96.9-39.3-169.2-63.8178.4000114N102 S107N102-I104 HydrophobicContact CB-CD1 4.42Å; N102-I104 HydrophobicContact CB-CG1 4.45Å; N102-I104 PolarHBondContact O-N 3.47Å; I104-S107 PolarHBondContact O-N 3.42Å
105E42.6Very low42.3Very low168 Ų168117.2 Ų117.279%0.78567%0.667SS**Hα-helixtrans-73.7-33.8-170.3-61.5-170.8140.300113.5S107 V108E105-S107 PolarHBondContact O-N 3.48Å; E105-V108 PolarHBondContact O-N 3.32Å; E105-V108 VanDerWaalsContact O-N 3.15Å
106S43.2Very low43.2Very low68 Ų68112.3 Ų112.348%0.47665%0.653SS.*Hα-helixtrans-55.9-37175.8179.20000112.8V108 L109 H110S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.4Å; S106-L109 PolarHBondContact O-N 2.95Å; S106-H110 PolarHBondContact O-N 3.03Å; S106-H110 VanDerWaalsContact O-N 3.13Å; S106-H110 PolarHBondContact O-ND1 2.89Å; S106-H110 PolarHBondContact OG-CE1 2.65Å; S106-H110 VanDerWaalsContact OG-CE1 3.26Å; S106-H110 PolarHBondContact OG-ND1 3.2Å
107S44.7Very low44.4Very low82 Ų82110.9 Ų110.957%0.57365%0.646SS**Hα-helixtrans-62.6-32.4-178.6-175.10000112.8I104 E105 S111I104-S107 PolarHBondContact O-N 3.42Å; E105-S107 PolarHBondContact O-N 3.48Å; S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.03Å
108V46.7Very low45.2Very low91 Ų91105.6 Ų105.655%0.55263%0.626SS**Hα-helixtrans-70.6-48.3-179.3-175.80000110.6E105 S106 H110 S111 V112E105-V108 PolarHBondContact O-N 3.32Å; E105-V108 VanDerWaalsContact O-N 3.15Å; S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.4Å; V108-H110 PolarHBondContact O-N 3.21Å; V108-S111 PolarHBondContact O-N 3.19Å; V108-S111 VanDerWaalsContact O-N 3.11Å; V108-S111 PolarHBondContact O-OG 3.12Å; V108-V112 PolarHBondContact O-N 3.4Å; V108-V112 VanDerWaalsContact O-N 3.12Å
109L45.6Very low46.5Very low121 Ų121102.6 Ų102.663%0.63461%0.608SS**Hα-helixtrans-61.3-43.7177.7-73167.6000111.9S106 S111 V112 N113S106-L109 PolarHBondContact O-N 2.95Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.37Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-N113 PolarHBondContact O-N 3.45Å
110H45Very low47.3Very low124 Ų12497.9 Ų97.957%0.57458%0.584SS**Hα-helixtrans-59.4-38.4173.7-75.985.7000112.3S106 V108 N113 A114S106-H110 PolarHBondContact O-N 3.03Å; S106-H110 VanDerWaalsContact O-N 3.13Å; S106-H110 PolarHBondContact O-ND1 2.89Å; S106-H110 PolarHBondContact OG-CE1 2.65Å; S106-H110 VanDerWaalsContact OG-CE1 3.26Å; S106-H110 PolarHBondContact OG-ND1 3.2Å; V108-H110 PolarHBondContact O-N 3.21Å; H110-N113 PolarHBondContact O-N 3.31Å; H110-A114 VanDerWaalsContact O-CB 3.29Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.4Å
111S46.1Very low47.9Very low62 Ų6294.6 Ų94.643%0.43457%0.572SS.*Hα-helixtrans-67.3-35.6177.778.20000113.5S107 V108 L109 V115S107-S111 WeakPolarHBondContact O-CB 3.39Å; S107-S111 PolarHBondContact O-N 3.03Å; V108-S111 PolarHBondContact O-N 3.19Å; V108-S111 VanDerWaalsContact O-N 3.11Å; V108-S111 PolarHBondContact O-OG 3.12Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.37Å; S111-V115 WeakPolarHBondContact O-CG2 3.47Å; S111-V115 PolarHBondContact O-N 2.87Å; S111-V115 VanDerWaalsContact O-N 3.12Å
112V52.1Low48.6Very low88 Ų8888.8 Ų88.853%0.53355%0.55SS.*Hα-helixtrans-69.6-45.5175.81760000110.5V108 L109 A114 V115 S116V108-V112 PolarHBondContact O-N 3.4Å; V108-V112 VanDerWaalsContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 2.87Å; V112-A114 PolarHBondContact O-N 2.84Å; V112-V115 PolarHBondContact O-N 3.47Å; V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3Å
113N51.7Low49.1Very low108 Ų10886.9 Ų86.958%0.57853%0.533SS*.Hα-helixtrans-62.6-41.1177.5-71.2-6.2000111.9L109 H110 S116 A117L109-N113 PolarHBondContact O-N 3.45Å; H110-N113 PolarHBondContact O-N 3.31Å; N113-S116 PolarHBondContact O-N 3.41Å; N113-A117 WeakPolarHBondContact O-CB 3.48Å; N113-A117 PolarHBondContact O-N 3.45Å
114A52.2Low49.7Very low59 Ų5989.7 Ų89.749%0.48853%0.53SS..Hα-helixtrans-64-39.5175.900000112.9H110 V112 A118H110-A114 VanDerWaalsContact O-CB 3.29Å; H110-A114 WeakPolarHBondContact O-CB 3.31Å; H110-A114 PolarHBondContact O-N 3.4Å; V112-A114 PolarHBondContact O-N 2.84Å; A114-A118 VanDerWaalsContact O-CB 3.28Å; A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.97Å
115V55.5Low50.3Low106 Ų10686.3 Ų86.364%0.64252%0.524SS*.Hα-helixtrans-68-39.2174.7169.40000111.4S111 V112 A118 A119S111-V115 WeakPolarHBondContact O-CG2 3.47Å; S111-V115 PolarHBondContact O-N 2.87Å; S111-V115 VanDerWaalsContact O-N 3.12Å; V112-V115 PolarHBondContact O-N 3.47Å; V115-A118 PolarHBondContact O-N 3.14Å; V115-A119 PolarHBondContact O-N 3.4Å
116S53.9Low51Low80 Ų8080.7 Ų80.756%0.55950%0.502SS*.Hα-helixtrans-63.6-45.8175.5-1660000111.8V112 N113 A118 A119 A120V112-S116 WeakPolarHBondContact O-CB 3.32Å; V112-S116 PolarHBondContact O-N 3Å; N113-S116 PolarHBondContact O-N 3.41Å; S116-A118 PolarHBondContact O-N 3.48Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.13Å; S116-A120 PolarHBondContact O-N 3.26Å
117A53.5Low51.3Low59 Ų5978.9 Ų78.949%0.48849%0.49SS..Hα-helixtrans-64-39.3175.500000112.7N113 A119 A120 S121N113-A117 WeakPolarHBondContact O-CB 3.48Å; N113-A117 PolarHBondContact O-N 3.45Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A120 PolarHBondContact O-N 3.15Å; A117-S121 PolarHBondContact O-N 3.34Å; A117-S121 PolarHBondContact O-OG 3.41Å
118A52.5Low51.8Low59 Ų5977.7 Ų77.749%0.48849%0.486SS..Hα-helixtrans-68.2-31.4175.400000113.1A114 V115 S116 S121 S122A114-A118 VanDerWaalsContact O-CB 3.28Å; A114-A118 WeakPolarHBondContact O-CB 3.35Å; A114-A118 PolarHBondContact O-N 2.97Å; V115-A118 PolarHBondContact O-N 3.14Å; S116-A118 PolarHBondContact O-N 3.48Å; A118-S121 PolarHBondContact O-OG 3.35Å; A118-S122 PolarHBondContact O-N 3.29Å
119A55.5Low52Low46 Ų4676.5 Ų76.538%0.3849%0.485SS..Hα-helixtrans-67.6-48.5169.100000110.6V115 S116 A117 S121 S122 W123V115-A119 PolarHBondContact O-N 3.4Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.13Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A119-S121 PolarHBondContact O-N 2.73Å; A119-S122 WeakPolarHBondContact O-CB 3.47Å; A119-S122 PolarHBondContact O-N 2.97Å; A119-S122 VanDerWaalsContact O-N 3.16Å; A119-W123 PolarHBondContact O-N 2.91Å
120A55.4Low52.3Low42 Ų4272.4 Ų72.435%0.34747%0.469SS..Hα-helixtrans-58.3-44.6179.200000113S116 A117 S122 W123 Y124S116-A120 PolarHBondContact O-N 3.26Å; A117-A120 PolarHBondContact O-N 3.15Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.35Å; A120-W123 WeakPolarHBondContact O-CB 3.5Å; A120-W123 PolarHBondContact O-N 3.4Å; A120-W123 VanDerWaalsContact O-N 3.08Å; A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.62Å; A120-Y124 VanDerWaalsContact O-N 3.11Å
121S47.1Very low52.7Low76 Ų7670.2 Ų70.253%0.53147%0.473SS..Hα-helixtrans-65.9-34.6176.462.30000112.8A117 A118 A119 W123 Y124 G125A117-S121 PolarHBondContact O-N 3.34Å; A117-S121 PolarHBondContact O-OG 3.41Å; A118-S121 PolarHBondContact O-OG 3.35Å; A119-S121 PolarHBondContact O-N 2.73Å; S121-W123 VanDerWaalsContact C-N 3.31Å; S121-W123 PolarHBondContact O-N 3.34Å; S121-Y124 PolarHBondContact O-N 3.44Å; S121-G125 PolarHBondContact O-N 2.99Å
122S53.6Low53.1Low64 Ų6473.3 Ų73.345%0.44849%0.488SS..Hα-helixtrans-64.9-32.4170.1-172.50000112.8A118 A119 A120 V126A118-S122 PolarHBondContact O-N 3.29Å; A119-S122 WeakPolarHBondContact O-CB 3.47Å; A119-S122 PolarHBondContact O-N 2.97Å; A119-S122 VanDerWaalsContact O-N 3.16Å; A120-S122 VanDerWaalsContact C-N 3.34Å; A120-S122 PolarHBondContact O-N 3.35Å; S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.96Å
123W51.7Low53.1Low88 Ų8871.7 Ų71.733%0.33348%0.484SS..Hα-helixtrans-69.5-42.1175.6-73.5115.5000112.3A119 A120 S121 G125 V126 A127 Y145 L149 V315A119-W123 PolarHBondContact O-N 2.91Å; A120-W123 WeakPolarHBondContact O-CB 3.5Å; A120-W123 PolarHBondContact O-N 3.4Å; A120-W123 VanDerWaalsContact O-N 3.08Å; S121-W123 VanDerWaalsContact C-N 3.31Å; S121-W123 PolarHBondContact O-N 3.34Å; W123-G125 VanDerWaalsContact C-N 3.32Å; W123-G125 PolarHBondContact O-N 3.35Å; W123-V126 PolarHBondContact O-N 3.46Å; W123-V126 VanDerWaalsContact O-N 3.15Å; W123-A127 WeakPolarHBondContact O-CB 3.35Å; W123-A127 PolarHBondContact O-N 3.43Å; W123-Y145 AromaticContact CH2-CE1 3.51Å; W123-Y145 HydrophobicContact CH2-CE1 3.51Å; W123-Y145 AromaticContact CH2-CZ 3.88Å; W123-Y145 WeakPolarHBondContact CH2-OH 3.49Å; W123-Y145 HydrophobicContact CZ2-CE1 4.38Å; W123-Y145 AromaticContact CZ3-CE1 3.74Å; W123-Y145 HydrophobicContact CZ3-CE1 3.74Å; W123-L149 HydrophobicContact CH2-CD1 3.9Å; W123-L149 HydrophobicContact CZ2-CD1 3.5Å; W123-V315 HydrophobicContact CH2-CG1 4.17Å; W123-V315 HydrophobicContact CH2-CG2 4.26Å; W123-V315 HydrophobicContact CZ2-CG1 4.42Å
124Y51.4Low53.1Low174 Ų17473.9 Ų73.968%0.68250%0.496SS*.Hα-helixtrans-60.7-39.1175.9-74.1-67.6000112.7A120 S121 V126 A127 A128A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.62Å; A120-Y124 VanDerWaalsContact O-N 3.11Å; S121-Y124 PolarHBondContact O-N 3.44Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 3.49Å; Y124-A127 PolarHBondContact O-N 2.73Å; Y124-A128 WeakPolarHBondContact O-CB 3.45Å; Y124-A128 PolarHBondContact O-N 3.42Å
125G56.5Low53Low47 Ų4774.3 Ų74.349%0.48549%0.49SS..Hα-helixtrans-62.4-37.2174.500000113.5S121 W123 A129S121-G125 PolarHBondContact O-N 2.99Å; W123-G125 VanDerWaalsContact C-N 3.32Å; W123-G125 PolarHBondContact O-N 3.35Å; G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 2.88Å; G125-A129 VanDerWaalsContact O-N 3.1Å
126V56Low53Low51 Ų5174 Ų7431%0.30949%0.49SS..Hα-helixtrans-75-40.7177.3175.50000111.6S122 W123 Y124 A128 A129 A130S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.96Å; W123-V126 PolarHBondContact O-N 3.46Å; W123-V126 VanDerWaalsContact O-N 3.15Å; Y124-V126 VanDerWaalsContact C-N 3.33Å; Y124-V126 PolarHBondContact O-N 3.49Å; V126-A128 VanDerWaalsContact C-N 3.35Å; V126-A129 PolarHBondContact O-N 2.88Å; V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.39Å
127A50.5Low52.9Low29 Ų2980 Ų8024%0.2450%0.501CS..Hα-helixtrans-63.3-40.2175.300000111.8W123 Y124 A130 A131W123-A127 WeakPolarHBondContact O-CB 3.35Å; W123-A127 PolarHBondContact O-N 3.43Å; Y124-A127 PolarHBondContact O-N 2.73Å; A127-A130 PolarHBondContact O-N 2.81Å; A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.4Å
128A56.1Low53.1Low58 Ų5880.4 Ų80.448%0.47950%0.495SS..Hα-helixtrans-63.5-44.417300000112.1Y124 V126 A130 A131 V132Y124-A128 WeakPolarHBondContact O-CB 3.45Å; Y124-A128 PolarHBondContact O-N 3.42Å; V126-A128 VanDerWaalsContact C-N 3.35Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.9Å; A128-A131 PolarHBondContact O-N 3.21Å; A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 2.87Å; A128-V132 VanDerWaalsContact O-N 3.17Å
129A50.8Low52.9Low65 Ų6581.9 Ų81.954%0.53749%0.494SS..Hα-helixtrans-63.7-37.2176.100000112.8G125 V126 V132 A133G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 2.88Å; G125-A129 VanDerWaalsContact O-N 3.1Å; V126-A129 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 3.26Å; A129-A133 PolarHBondContact O-N 2.89Å
130A50.1Low53.1Low36 Ų3685.5 Ų85.530%0.29851%0.507SS..Hα-helixtrans-68.5-40.517500000112.2V126 A127 A128 V132 A133V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 3.39Å; A127-A130 PolarHBondContact O-N 2.81Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.9Å; A130-V132 PolarHBondContact O-N 2.84Å; A130-A133 WeakPolarHBondContact O-CB 3.28Å; A130-A133 PolarHBondContact O-N 2.84Å
131A54.2Low53.7Low78 Ų7889.6 Ų89.665%0.64552%0.519SS*.Hα-helixtrans-63.2-28.8176.100000113.2A127 A128A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.4Å; A128-A131 PolarHBondContact O-N 3.21Å
132V55Low54.5Low126 Ų12690.8 Ų90.876%0.76451%0.512SS*.Hα-helixtrans-77.2-21.1173.6172.10000112.6A128 A129 A130A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 2.87Å; A128-V132 VanDerWaalsContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 3.26Å; A130-V132 PolarHBondContact O-N 2.84Å
133A51Low54.9Low55 Ų5591.9 Ų91.946%0.45551%0.514SS..Hα-helixtrans-78.9-20.4-172.200000115A129 A130 D135A129-A133 PolarHBondContact O-N 2.89Å; A130-A133 WeakPolarHBondContact O-CB 3.28Å; A130-A133 PolarHBondContact O-N 2.84Å; A133-D135 PolarHBondContact O-N 2.8Å
134N52Low55.7Low154 Ų15492.5 Ų92.582%0.82452%0.52SS*.  trans5514.4173.5-116.7-8.3000117.1P136N134-P136 WeakPolarHBondContact O-CD 3.44Å
135D50Low56.3Low68 Ų6889 Ų8936%0.36451%0.507SS..  trans-87.3116179.3-173.7-19.9000111.3A133 R137 L138A133-D135 PolarHBondContact O-N 2.8Å; D135-R137 PolarHBondContact O-N 3.22Å; D135-R137 VanDerWaalsContact O-N 3.15Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 PolarHBondContact OD1-N 2.93Å; D135-L138 HydrophobicContact CB-CD1 4.26Å; D135-L138 PolarHBondContact O-N 3.13Å
136P56.1Low56.9Low99 Ų9989.2 Ų89.264%0.64350%0.498SS*.Hα-helixtrans-65.3-16.2-18027.5-35.2000114N134N134-P136 WeakPolarHBondContact O-CD 3.44Å
137R52.4Low57.3Low205 Ų20590.7 Ų90.777%0.77451%0.511SS*.Hα-helixtrans-73.4-38176-55.6-17675.6172.93.8111.6D135 N139D135-R137 PolarHBondContact O-N 3.22Å; D135-R137 VanDerWaalsContact O-N 3.15Å; D135-R137 VanDerWaalsContact OD1-CB 3.27Å; D135-R137 WeakPolarHBondContact OD1-CB 3.43Å; D135-R137 WeakPolarHBondContact OD1-CG 3.33Å; D135-R137 PolarHBondContact OD1-N 2.93Å; R137-N139 VanDerWaalsContact C-N 3.32Å; R137-N139 PolarHBondContact O-N 2.89Å
138L58Low58.1Low69 Ų6997 Ų9736%0.36153%0.528SS..Hα-helixtrans-66.6-32.6176.9-87.3165.4000112.3D135 N140 E141 Y142D135-L138 HydrophobicContact CB-CD1 4.26Å; D135-L138 PolarHBondContact O-N 3.13Å; L138-N140 PolarHBondContact O-N 2.89Å; L138-E141 PolarHBondContact O-N 3.34Å; L138-Y142 WeakPolarHBondContact O-CB 3.32Å; L138-Y142 PolarHBondContact O-N 2.89Å
139N48.2Very low58.4Low90 Ų9096.6 Ų96.648%0.48152%0.518SS..Hα-helixtrans-62-36.6-179.7-86.3-16.1000113.8R137 N143R137-N139 VanDerWaalsContact C-N 3.32Å; R137-N139 PolarHBondContact O-N 2.89Å; N139-N143 WeakPolarHBondContact O-CB 3.44Å; N139-N143 PolarHBondContact O-N 3.48Å; N139-N143 PolarHBondContact O-ND2 3.34Å; N139-N143 VanDerWaalsContact O-ND2 3.11Å
140N59.7Low59Low121 Ų12198.4 Ų98.465%0.64752%0.516SS*.Hα-helixtrans-73-43.8179.3-81.3-4.7000112.3L138 Y142 N143 E144L138-N140 PolarHBondContact O-N 2.89Å; N140-Y142 VanDerWaalsContact C-N 3.31Å; N140-Y142 PolarHBondContact O-N 3.47Å; N140-N143 PolarHBondContact O-N 2.84Å; N140-E144 PolarHBondContact O-N 2.86Å; N140-E144 VanDerWaalsContact O-N 3.08Å
141E67.6Low59.8Low129 Ų12998.7 Ų98.760%0.60352%0.523SS*.Hα-helixtrans-63.7-38.6173.3-68-168.6155.200111.5L138 E144 Y145L138-E141 PolarHBondContact O-N 3.34Å; E141-E144 PolarHBondContact O-N 3.35Å; E141-Y145 WeakPolarHBondContact O-CB 3.46Å; E141-Y145 PolarHBondContact O-N 2.86Å
142Y62.8Low60.1Low100 Ų10099.8 Ų99.839%0.39252%0.521SS..Hα-helixtrans-59.7-48.2173.9178.6-98.1000111.8L138 N140 E144 Y145 V146L138-Y142 WeakPolarHBondContact O-CB 3.32Å; L138-Y142 PolarHBondContact O-N 2.89Å; N140-Y142 VanDerWaalsContact C-N 3.31Å; N140-Y142 PolarHBondContact O-N 3.47Å; Y142-E144 PolarHBondContact O-N 3.07Å; Y142-Y145 PolarHBondContact O-N 3.2Å; Y142-V146 HydrophobicContact CD1-CG2 4.13Å; Y142-V146 HydrophobicContact CD2-CG2 4.2Å; Y142-V146 HydrophobicContact CE1-CG2 3.82Å; Y142-V146 HydrophobicContact CE2-CG2 3.89Å; Y142-V146 HydrophobicContact CG-CG2 4.31Å; Y142-V146 WeakPolarHBondContact O-CB 3.25Å; Y142-V146 VanDerWaalsContact O-CG2 3.27Å; Y142-V146 WeakPolarHBondContact O-CG2 3.42Å; Y142-V146 PolarHBondContact O-N 3.4Å
143N62.2Low60.3Low88 Ų8896.1 Ų96.147%0.47150%0.499SS..Hα-helixtrans-64.5-39.7179.8-73.5-29.3000112.6N139 N140 S147N139-N143 WeakPolarHBondContact O-CB 3.44Å; N139-N143 PolarHBondContact O-N 3.48Å; N139-N143 PolarHBondContact O-ND2 3.34Å; N139-N143 VanDerWaalsContact O-ND2 3.11Å; N140-N143 PolarHBondContact O-N 2.84Å; N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.36Å; N143-S147 PolarHBondContact O-OG 3.31Å
144E69.8Low60.4Low101 Ų10198 Ų9847%0.47250%0.501SS..Hα-helixtrans-67.1-41.5174.7-167.9-17614600111.5N140 E141 Y142 S147 R148N140-E144 PolarHBondContact O-N 2.86Å; N140-E144 VanDerWaalsContact O-N 3.08Å; E141-E144 PolarHBondContact O-N 3.35Å; Y142-E144 PolarHBondContact O-N 3.07Å; E144-S147 PolarHBondContact O-N 3.35Å; E144-R148 WeakPolarHBondContact O-CG 3.29Å; E144-R148 PolarHBondContact O-N 3.23Å; E144-R148 IonicContact OE1-CZ 3.81Å; E144-R148 IonicContact OE1-NH1 3.96Å; E144-R148 PolarHBondContact OE1-NH1 3.16Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.48Å
145Y63.9Low60.5Low101 Ų10193.1 Ų93.140%0.39648%0.483SS..Hα-helixtrans-67-45.4178.4-171.3-92.1000112.4W123 E141 Y142 S147 R148 L149W123-Y145 AromaticContact CH2-CE1 3.51Å; W123-Y145 HydrophobicContact CH2-CE1 3.51Å; W123-Y145 AromaticContact CH2-CZ 3.88Å; W123-Y145 WeakPolarHBondContact CH2-OH 3.49Å; W123-Y145 HydrophobicContact CZ2-CE1 4.38Å; W123-Y145 AromaticContact CZ3-CE1 3.74Å; W123-Y145 HydrophobicContact CZ3-CE1 3.74Å; E141-Y145 WeakPolarHBondContact O-CB 3.46Å; E141-Y145 PolarHBondContact O-N 2.86Å; Y142-Y145 PolarHBondContact O-N 3.2Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 3.02Å; Y145-R148 PolarHBondContact O-N 2.93Å; Y145-L149 HydrophobicContact CD1-CD1 4.44Å; Y145-L149 HydrophobicContact CE1-CB 4.48Å; Y145-L149 HydrophobicContact CE1-CD1 3.55Å; Y145-L149 WeakPolarHBondContact O-CB 3.33Å; Y145-L149 PolarHBondContact O-N 3.5Å
146V68Low60.2Low51 Ų5192.5 Ų92.531%0.30949%0.487SS..Hα-helixtrans-60-43173.91680000110.5Y142 R148 L149 M150Y142-V146 HydrophobicContact CD1-CG2 4.13Å; Y142-V146 HydrophobicContact CD2-CG2 4.2Å; Y142-V146 HydrophobicContact CE1-CG2 3.82Å; Y142-V146 HydrophobicContact CE2-CG2 3.89Å; Y142-V146 HydrophobicContact CG-CG2 4.31Å; Y142-V146 WeakPolarHBondContact O-CB 3.25Å; Y142-V146 VanDerWaalsContact O-CG2 3.27Å; Y142-V146 WeakPolarHBondContact O-CG2 3.42Å; Y142-V146 PolarHBondContact O-N 3.4Å; V146-R148 VanDerWaalsContact C-N 3.34Å; V146-R148 PolarHBondContact O-N 3.48Å; V146-L149 PolarHBondContact O-N 3.31Å; V146-M150 HydrophobicContact CG1-CG 4.14Å; V146-M150 VanDerWaalsContact O-CB 3.32Å; V146-M150 WeakPolarHBondContact O-CB 3.4Å; V146-M150 VanDerWaalsContact O-CG 3.25Å; V146-M150 WeakPolarHBondContact O-CG 3.46Å; V146-M150 PolarHBondContact O-N 3.4Å
147S64.8Low59.8Low82 Ų8293.4 Ų93.457%0.57348%0.484SS*.Hα-helixtrans-60-43.1176.2-60.70000112.1N143 E144 Y145 G151N143-S147 WeakPolarHBondContact O-CB 3.47Å; N143-S147 PolarHBondContact O-N 3.36Å; N143-S147 PolarHBondContact O-OG 3.31Å; E144-S147 PolarHBondContact O-N 3.35Å; Y145-S147 VanDerWaalsContact C-N 3.32Å; Y145-S147 PolarHBondContact O-N 3.02Å; S147-G151 PolarHBondContact O-N 3.22Å; S147-G151 VanDerWaalsContact O-N 3.09Å
148R68.5Low59.7Low161 Ų16187.1 Ų87.161%0.60848%0.476SS*.Hα-helixtrans-65.8-43.3174.5-74.7-178.3174.3134.47.7112.7E144 Y145 V146 G151 V152E144-R148 WeakPolarHBondContact O-CG 3.29Å; E144-R148 PolarHBondContact O-N 3.23Å; E144-R148 IonicContact OE1-CZ 3.81Å; E144-R148 IonicContact OE1-NH1 3.96Å; E144-R148 PolarHBondContact OE1-NH1 3.16Å; E144-R148 IonicContact OE1-NH2 3.79Å; E144-R148 PolarHBondContact OE1-NH2 3.48Å; Y145-R148 PolarHBondContact O-N 2.93Å; V146-R148 VanDerWaalsContact C-N 3.34Å; V146-R148 PolarHBondContact O-N 3.48Å; R148-G151 PolarHBondContact O-N 3.34Å; R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 2.96Å
149L62.1Low59.1Low49 Ų4989.1 Ų89.126%0.25750%0.495SS..Hα-helixtrans-72-38.2-176.7-159.1151.9000111.5W123 Y145 V146 G151 V152 T153W123-L149 HydrophobicContact CH2-CD1 3.9Å; W123-L149 HydrophobicContact CZ2-CD1 3.5Å; Y145-L149 HydrophobicContact CD1-CD1 4.44Å; Y145-L149 HydrophobicContact CE1-CB 4.48Å; Y145-L149 HydrophobicContact CE1-CD1 3.55Å; Y145-L149 WeakPolarHBondContact O-CB 3.33Å; Y145-L149 PolarHBondContact O-N 3.5Å; V146-L149 PolarHBondContact O-N 3.31Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.07Å; L149-V152 PolarHBondContact O-N 2.93Å; L149-T153 WeakPolarHBondContact O-CB 3.47Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 PolarHBondContact O-OG1 2.93Å; L149-T153 VanDerWaalsContact O-OG1 3.12Å
150M63.2Low59.1Low104 Ų10488.9 Ų88.951%0.51250%0.5SS..Hα-helixtrans-59.2-40167.9-72.4-65.1-69.100111.6V146 T153 N154V146-M150 HydrophobicContact CG1-CG 4.14Å; V146-M150 VanDerWaalsContact O-CB 3.32Å; V146-M150 WeakPolarHBondContact O-CB 3.4Å; V146-M150 VanDerWaalsContact O-CG 3.25Å; V146-M150 WeakPolarHBondContact O-CG 3.46Å; V146-M150 PolarHBondContact O-N 3.4Å; M150-T153 PolarHBondContact O-N 3.4Å; M150-N154 VanDerWaalsContact O-CB 3.3Å; M150-N154 WeakPolarHBondContact O-CB 3.45Å; M150-N154 VanDerWaalsContact O-CG 3.28Å; M150-N154 PolarHBondContact O-N 3.26Å
151G65.7Low58Low42 Ų4292.4 Ų92.443%0.43351%0.506SS..Hα-helixtrans-59.5-46.2172.300000113.2S147 R148 L149 A155S147-G151 PolarHBondContact O-N 3.22Å; S147-G151 VanDerWaalsContact O-N 3.09Å; R148-G151 PolarHBondContact O-N 3.34Å; L149-G151 VanDerWaalsContact C-N 3.3Å; L149-G151 PolarHBondContact O-N 3.07Å; G151-A155 WeakPolarHBondContact O-CB 3.2Å; G151-A155 PolarHBondContact O-N 3.14Å
152V60.6Low56.6Low101 Ų10192.7 Ų92.761%0.61252%0.519SS*.Hα-helixtrans-66.6-41177.1173.10000111.9R148 L149 A155 A156R148-V152 WeakPolarHBondContact O-CG2 3.28Å; R148-V152 PolarHBondContact O-N 2.96Å; L149-V152 PolarHBondContact O-N 2.93Å; V152-A155 PolarHBondContact O-N 3.19Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.23Å
153T59.4Low55.2Low49 Ų4990.6 Ų90.630%0.30153%0.528SS..Hα-helixtrans-66.1-45.5177.1-64.50000111.7L149 M150 A155 A156 M157L149-T153 WeakPolarHBondContact O-CB 3.47Å; L149-T153 PolarHBondContact O-N 3.37Å; L149-T153 PolarHBondContact O-OG1 2.93Å; L149-T153 VanDerWaalsContact O-OG1 3.12Å; M150-T153 PolarHBondContact O-N 3.4Å; T153-A155 VanDerWaalsContact C-N 3.32Å; T153-A155 PolarHBondContact O-N 3.24Å; T153-A156 PolarHBondContact O-N 3.3Å; T153-M157 HydrophobicContact CG2-CE 3.66Å; T153-M157 HydrophobicContact CG2-SD 4.04Å; T153-M157 WeakPolarHBondContact O-CB 3.42Å; T153-M157 WeakPolarHBondContact O-CG 3.45Å; T153-M157 PolarHBondContact O-N 3.07Å
154N53.7Low53.8Low93 Ų9395 Ų9550%0.49755%0.545SS..Hα-helixtrans-62.9-38.8175.7-74.90.5000111.5M150 M157 A158M150-N154 VanDerWaalsContact O-CB 3.3Å; M150-N154 WeakPolarHBondContact O-CB 3.45Å; M150-N154 VanDerWaalsContact O-CG 3.28Å; M150-N154 PolarHBondContact O-N 3.26Å; N154-M157 PolarHBondContact O-N 3.35Å; N154-A158 VanDerWaalsContact O-CB 3.3Å; N154-A158 WeakPolarHBondContact O-CB 3.35Å; N154-A158 PolarHBondContact O-N 3.37Å
155A53.2Low52.2Low53 Ų5397.6 Ų97.644%0.43856%0.561SS.*Hα-helixtrans-63.1-46.1173.200000111.9G151 V152 T153 M157 A158 C159G151-A155 WeakPolarHBondContact O-CB 3.2Å; G151-A155 PolarHBondContact O-N 3.14Å; V152-A155 PolarHBondContact O-N 3.19Å; T153-A155 VanDerWaalsContact C-N 3.32Å; T153-A155 PolarHBondContact O-N 3.24Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.09Å; A155-A158 PolarHBondContact O-N 3.4Å; A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.46Å; A155-C159 PolarHBondContact O-SG 3.19Å
156A44.9Very low50.6Low55 Ų5598.4 Ų98.446%0.45558%0.582SS.*Hα-helixtrans-62.7-38.4177.500000112.5V152 T153 S160V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.23Å; T153-A156 PolarHBondContact O-N 3.3Å; A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 3.16Å; A156-S160 PolarHBondContact O-OG 3.25Å
157M47.8Very low49.1Very low117 Ų117102.1 Ų102.158%0.57661%0.607SS**Hα-helixtrans-67.2-44.5174.3-71.8176.1175.400111.8T153 N154 A155 C159 S160 Y161T153-M157 HydrophobicContact CG2-CE 3.66Å; T153-M157 HydrophobicContact CG2-SD 4.04Å; T153-M157 WeakPolarHBondContact O-CB 3.42Å; T153-M157 WeakPolarHBondContact O-CG 3.45Å; T153-M157 PolarHBondContact O-N 3.07Å; N154-M157 PolarHBondContact O-N 3.35Å; A155-M157 VanDerWaalsContact C-N 3.33Å; A155-M157 PolarHBondContact O-N 3.09Å; M157-C159 VanDerWaalsContact C-N 3.33Å; M157-C159 PolarHBondContact O-N 3.35Å; M157-S160 WeakPolarHBondContact O-CB 3.23Å; M157-S160 PolarHBondContact O-N 2.87Å; M157-Y161 PolarHBondContact O-N 3.08Å
158A50Low47.7Very low74 Ų74103.1 Ų103.161%0.61261%0.614SS**Hα-helixtrans-62.3-38176.200000112.5N154 A155 S160N154-A158 VanDerWaalsContact O-CB 3.3Å; N154-A158 WeakPolarHBondContact O-CB 3.35Å; N154-A158 PolarHBondContact O-N 3.37Å; A155-A158 PolarHBondContact O-N 3.4Å; A158-S160 PolarHBondContact O-N 3.05Å
159C44.5Very low46Very low111 Ų111100.4 Ų100.475%0.7562%0.62SS**THydrogen-bonded Turntrans-69.1-14.1172.4-67.80000114.1A155 M157A155-C159 WeakPolarHBondContact O-CB 3.46Å; A155-C159 PolarHBondContact O-N 3.46Å; A155-C159 PolarHBondContact O-SG 3.19Å; M157-C159 VanDerWaalsContact C-N 3.33Å; M157-C159 PolarHBondContact O-N 3.35Å
160S48.1Very low44.7Very low85 Ų85106.1 Ų106.159%0.59465%0.65SS**THydrogen-bonded Turntrans-99.1-6.4-176-58.50000114.2A156 M157 A158A156-S160 WeakPolarHBondContact O-CB 3.4Å; A156-S160 PolarHBondContact O-N 3.16Å; A156-S160 PolarHBondContact O-OG 3.25Å; M157-S160 WeakPolarHBondContact O-CB 3.23Å; M157-S160 PolarHBondContact O-N 2.87Å; A158-S160 PolarHBondContact O-N 3.05Å
161Y38.2Very low43.3Very low195 Ų195107 Ų10777%0.76567%0.666SS**  trans-128.475.6179.9-84.5-88.3000112.7M157 G163M157-Y161 PolarHBondContact O-N 3.08Å; Y161-G163 PolarHBondContact O-N 3.5Å
162P36.9Very low41.7Very low134 Ų134108.8 Ų108.887%0.8768%0.684SS**  trans-78.462.3171.535-36000111
163G34.7Very low40.4Very low56 Ų56109.3 Ų109.358%0.57769%0.688SS**SBendtrans-172.4113.8-176.300000116.3Y161Y161-G163 PolarHBondContact O-N 3.5Å
164H32.9Very low38.9Very low180 Ų180118 Ų11883%0.83372%0.717SS**  trans59.691.2145.5-151.1-85.3000118.4
165L34.3Very low37.9Very low156 Ų156117.4 Ų117.482%0.81773%0.732SS**  172.5116.1129.4-93166000110.4
166S32.2Very low36.7Very low118 Ų118122.9 Ų122.983%0.82575%0.753SS**  trans-104.7116.8178.6-56.50000111.5
167P34.6Very low36.1Very low129 Ų129130.5 Ų130.584%0.83878%0.777SS**  trans-97.5100.6170.633.3-27.4000110.9S169P167-S169 PolarHBondContact O-N 3.2Å
168S36.5Very low35.2Very low103 Ų103130.9 Ų130.972%0.7278%0.781SS**  trans-89105.5-176.956.20000113.9
169S33.2Very low34.4Very low105 Ų105134.1 Ų134.173%0.73479%0.788SS**  trans48.496.8140.162.90000120.7P167P167-S169 PolarHBondContact O-N 3.2Å
170L35Very low33.8Very low169 Ų169134 Ų13489%0.88578%0.78SS**  trans-144122135.9-81.4108.6000105.7
171S32.6Very low33Very low123 Ų123136.8 Ų136.886%0.8679%0.788SS**  cis63.8102.143.9-158.40000112.5
172G32.2Very low32.7Very low78 Ų78133.5 Ų133.580%0.80478%0.784SS**  trans164.767.2-173.900000114.8
173T33.1Very low32.3Very low113 Ų113133.3 Ų133.369%0.69378%0.78SS**  trans-38.4143.5173.237.30000119
174Y28.1Very low32.2Very low231 Ų231136.8 Ų136.891%0.90679%0.786SS**  trans64.5129.8155.8-54.1-56.3000119.6
175G32.6Very low32.3Very low80 Ų80134.5 Ų134.583%0.82578%0.78SS**  trans169.955.9176.200000114.8F177G175-F177 PolarHBondContact O-N 2.76Å
176L28.2Very low32.1Very low168 Ų168134.2 Ų134.288%0.8878%0.779SS**  trans-68.5111.5171.9-81165.3000110.5
177F33.4Very low32.2Very low216 Ų216135.8 Ų135.895%0.94778%0.777SS**  trans-151.8116.2145.3-95.4-65.4000110.8G175G175-F177 PolarHBondContact O-N 2.76Å
178N28.6Very low32.1Very low125 Ų125136.1 Ų136.167%0.66878%0.777SS**  trans-120.1118.6174.217624.4000109
179N32.4Very low31.9Very low141 Ų141134.8 Ų134.875%0.75478%0.779SS**  trans-171.3118.4143.4-91.8-35.9000106.4
180N31.4Very low31.9Very low110 Ų110137.5 Ų137.559%0.58878%0.78SS**  70.8131.367.5-76.1-35.6000113.6
181N31Very low31.7Very low142 Ų142135.6 Ų135.676%0.75977%0.771SS**  trans72.2140.6164-52.9-18.2000115.4
182N33.3Very low31.6Very low127 Ų127134.7 Ų134.768%0.67976%0.764SS**  cis-137.6137.85.2-114.5-19000112.1
183T28.9Very low31.5Very low129 Ų129135 Ų13579%0.79175%0.754SS**  trans-64.3128148.846.10000108.6
184N31.8Very low31.4Very low129 Ų129137.3 Ų137.369%0.6976%0.757SS**  trans-162.7139.2156.9-109.7-22.7000112.1
185N35.5Very low31.5Very low133 Ų133135 Ų13571%0.71175%0.751SS**  trans66.6121.7172.4-51.7-37.4000114.9
186N30.2Very low31.6Very low150 Ų150135.4 Ų135.480%0.80274%0.742SS**  69.5152.862.7-79.1-29.1000114.1
187I33.8Very low31.6Very low151 Ų151134.7 Ų134.777%0.77474%0.739SS**  trans82.782.6179.5-50.8177.7000113.8
188T32Very low31.6Very low136 Ų136128.5 Ų128.583%0.83472%0.723SS**  21.7131.9127.857.10000119.3
189G32.6Very low31.9Very low75 Ų75129.2 Ų129.277%0.77372%0.722SS**  trans176.378.8164.300000116.8
190H33.9Very low31.9Very low162 Ų162130.4 Ų130.475%0.7572%0.72SS**  trans11.9125.5149.2-77-65.5000122.2
191N30.2Very low32.1Very low129 Ų129131 Ų13169%0.6972%0.722SS**  72.8153.7128.7-51.5-5.2000120.4
192S30Very low32.3Very low103 Ų103129.5 Ų129.572%0.7272%0.718SS**  trans32.6132.7140.861.30000120
193S29.5Very low32.4Very low84 Ų84133.5 Ų133.559%0.58772%0.724SS**  cis-173.4-165.16.733.90000107.8
194E31.8Very low32.9Very low162 Ų162132.5 Ų132.576%0.75772%0.718SS**  trans47.2135.9143.4-74.4150.6147.100120.1
195F30.1Very low33.2Very low182 Ų182136.1 Ų136.180%0.79872%0.722SS**  cis172.9177.1-2.7-138.3-96.7000102.4
196S35Very low33.2Very low90 Ų90136.2 Ų136.263%0.62972%0.722SS**  trans65.5117156.3-61.40000120.7
197N28.8Very low33.6Very low152 Ų152134.3 Ų134.381%0.81372%0.716SS**  38.9134.5106.8-64.7-20.3000118.9
198S33.2Very low33.7Very low87 Ų87132.3 Ų132.361%0.60872%0.716SS**  cis-177.1-176.110.847.40000111.7
199H34.3Very low34.4Very low139 Ų139131.4 Ų131.464%0.64471%0.712SS**  trans74.4119.2148.6-77.5-51.2000120.5
200F31.8Very low34.5Very low166 Ų166138.9 Ų138.973%0.72872%0.717SS**  76.5155.3121.8-71.9-21000118.9
201I35.7Very low34.7Very low123 Ų123135.8 Ų135.863%0.63171%0.714SS**  cis-149.5126-0.8-126.7158.3000111.1
202T35Very low35.1Very low110 Ų110134.6 Ų134.668%0.67572%0.715SS**  trans69.7163.2136.3-54.30000115.6
203R36.4Very low35.3Very low211 Ų211134.7 Ų134.780%0.79672%0.716SS**  cis-152.7121.326.1-155.4152.3-130.4-147.93.6114.3
204T39.7Very low35.5Very low108 Ų108135.1 Ų135.166%0.66372%0.719SS**  trans66.8158140.460.10000120.7
205R37.8Very low35.6Very low206 Ų206132.2 Ų132.278%0.77772%0.717SS**  cis-157.7146.60.6-125.5155.3-172-177.51111.2
206N34.5Very low35.8Very low134 Ų134129.8 Ų129.872%0.71772%0.717SS**  trans51.1149.2137.6-66.621.4000121
207T40.1Very low35.7Very low111 Ų111130.7 Ų130.768%0.68172%0.723SS**  cis-162.2129.3-2.515.30000106.2
208S35.3Very low36Very low109 Ų109127.7 Ų127.776%0.76272%0.719SS**  90.914970.1-59.60000114.7
209P46.8Very low36.1Very low116 Ų116129.6 Ų129.675%0.75373%0.727SS**  trans-130.5-148.7-151.542.8-23.8000114.1
210R34Very low36.2Very low232 Ų232130.3 Ų130.388%0.87574%0.735SS**  trans101.4148179.5-60.3161.874.5-169.56.7112.7
211S38.1Very low36.4Very low98 Ų98127.7 Ų127.769%0.68574%0.737SS**  cis-160.4-167.4-16.549.90000107.3
212S38.5Very low36.4Very low103 Ų103124.8 Ų124.872%0.7274%0.737SS**  cis-161.2172.926.5-43.50000114.3
213S34.8Very low36.6Very low105 Ų105125.8 Ų125.873%0.73474%0.744SS**  trans-55172.7156.355.50000114.5
214S34.8Very low36.8Very low94 Ų94121 Ų12166%0.65774%0.738SS**  cis-1721454.723.40000113
215S33.3Very low36.7Very low100 Ų100122.2 Ų122.270%0.69974%0.74SS**  50.2145.8125.5-41.70000124.5
216T33.5Very low36.8Very low132 Ų132119.7 Ų119.781%0.8174%0.741SS**  trans66.3152.8150.253.20000119.3
217S32.6Very low37.3Very low109 Ų109119.1 Ų119.176%0.76274%0.744SS**  cis-173.3167.3-22.9-96.90000111.3
218A35.6Very low37.5Very low88 Ų88121.1 Ų121.173%0.72775%0.748SS**  trans90.8108.8140.900000123.9
219V36.1Very low38.2Very low128 Ų128121.5 Ų121.578%0.77675%0.748SS**  60.4150.9121.4-161.40000121.9
220L36.9Very low37.7Very low154 Ų154121.3 Ų121.381%0.80674%0.744SS**  trans96.1146.5166-69.9105.1000117.1
221S34.5Very low37.9Very low111 Ų111113.4 Ų113.478%0.77674%0.735SS**  cis-174.7147.8-26.6-97.10000110.2
222G36Very low37.7Very low61 Ų61115.7 Ų115.763%0.62975%0.745SS**  trans143.2127.2169.500000113.7
223T39.1Very low37.6Very low132 Ų132114.2 Ų114.281%0.8175%0.746SS**  66128.373.561.30000113.7
224T40.2Very low37.4Very low111 Ų111114.8 Ų114.868%0.68175%0.75SS**  cis-171.9160.111.16.90000112.1
225N37.6Very low37.4Very low132 Ų132120.8 Ų120.871%0.70676%0.76SS**  trans68.7130.7154.1-58.6-14.4000118.6
226I40.4Very low37.3Very low153 Ų153122.8 Ų122.879%0.78576%0.763SS**  77.3135.857.3-65.8166.3000111.9
227P45Very low37.2Very low122 Ų122121.4 Ų121.479%0.79276%0.759SS**  cis-132-166.213.937.5-16000117.2
228M45.2Very low37Very low153 Ų153122.3 Ų122.375%0.75476%0.759SS**  trans-86.7174.4173.9-55.2-173.3-70.700114.1T230M228-T230 HydrophobicContact CB-CG2 4.26Å; M228-T230 HydrophobicContact CE-CG2 3.62Å; M228-T230 HydrophobicContact SD-CG2 4.11Å
229P50.3Low36.7Very low117 Ų117124.8 Ų124.876%0.7676%0.76SS**  -131.7142.990.737.6-28.3000112.9
230T35.7Very low36.4Very low112 Ų112124.7 Ų124.769%0.68776%0.756SS**  65.6117.155.467.60000115.6M228M228-T230 HydrophobicContact CB-CG2 4.26Å; M228-T230 HydrophobicContact CE-CG2 3.62Å; M228-T230 HydrophobicContact SD-CG2 4.11Å
231G37.3Very low36.2Very low66 Ų66123.7 Ų123.768%0.6875%0.751SS**  trans154.750.9177.400000114.7
232T35Very low36.1Very low147 Ų147125.1 Ų125.190%0.90275%0.75SS**  40.5105.6103.261.60000115.5
233G34.9Very low36.1Very low71 Ų71127 Ų12773%0.73275%0.754SS**  trans-170.383.9175.300000112.3
234S30.8Very low35.8Very low117 Ų117127 Ų12782%0.81875%0.749SS**  trans-72.4124.6-175.8-53.80000112.7
235Y34.8Very low35.3Very low220 Ų220129 Ų12986%0.86376%0.756SS**  trans-139.1149.6159.1-81.1-69.6000113.2
236N32.8Very low35.2Very low143 Ų143126.3 Ų126.377%0.76576%0.759SS**  trans-43.4134.4-179.7-63.7-33.9000113.1
237S30.1Very low34.7Very low103 Ų103126.9 Ų126.972%0.7275%0.751SS**  59.5121.274.8-760000114.6
238T29.9Very low34.1Very low127 Ų127130.4 Ų130.478%0.77975%0.754SS**  trans68.7104.8158.346.90000120.9
239N28.6Very low33.7Very low140 Ų140128.8 Ų128.875%0.74975%0.753SS**  88.5145.8129.2-84.5-1.3000122
240N30.1Very low32.8Very low127 Ų127135.4 Ų135.468%0.67976%0.763SS**  trans66.3115.7159.1-59-6.8000115
241N32.9Very low32.6Very low133 Ų133133.2 Ų133.271%0.71176%0.762SS**  cis-157.7168.432.4-75.3-64.6000113.2
242N32.2Very low32.4Very low141 Ų141140.4 Ų140.475%0.75477%0.769SS**  trans38.5120.2149-54.7-17.2000118.2
243S34.4Very low32.3Very low101 Ų101143 Ų14371%0.70676%0.764SS**  -168.1157.662.2-61.20000114.8
244N32.9Very low32.3Very low131 Ų131144.8 Ų144.870%0.70177%0.765SS**  trans70.8102.6148.2-61.9-16.4000122.1
245N30Very low32.5Very low154 Ų154147.2 Ų147.282%0.82477%0.769SS**  74.7126.7123.8-52.6-23.1000121.2
246G35.9Very low32.3Very low75 Ų75144.3 Ų144.377%0.77377%0.769SS**  trans105.8118.4176.800000111.9
247R29.8Very low32.5Very low165 Ų165146.2 Ų146.262%0.62378%0.778SS**  cis9447.935-155.5-167.9-175.2-143.1-6.4115.2P64P64-R247 PolarHBondContact O-NH1 3.3Å; P64-R247 PolarHBondContact O-NH2 3.06Å
248F33.4Very low32.6Very low196 Ų196146.2 Ų146.286%0.8678%0.778SS**  trans-144.3140.6168.7-89-80.7000115.8
249T36Very low32.6Very low119 Ų119144.8 Ų144.873%0.7377%0.772SS**  trans28.3127.4151.752.60000125.3
250R31.1Very low32.9Very low255 Ų255147.5 Ų147.596%0.96278%0.78SS**  trans43.2114141.5-76.3-176171.1169.4-1.3121.2
251G31Very low33.2Very low66 Ų66146.3 Ų146.368%0.6878%0.781SS**  trans137.213913100000118.6
252R33.4Very low33.3Very low218 Ų218146 Ų14682%0.82379%0.787SS**  trans64161174.2-51.2-177.1-175.6-171.50.9113.3
253Y33Very low33.7Very low200 Ų200144.6 Ų144.678%0.78479%0.785SS**  cis-136.5165.418.4-87.7-94.5000113
254S34.9Very low33.7Very low110 Ų110147 Ų14777%0.76979%0.79SS**  trans-88148.3163.6-51.20000110.8
255N35.3Very low33.9Very low168 Ų168148.1 Ų148.190%0.89879%0.794SS**  trans-149.6135.6154.1-105.3-21.8000109.5
256N31.2Very low34.1Very low159 Ų159146.3 Ų146.385%0.8579%0.791SS**  trans-90.2137.8173.5-72.6-44.8000109.6
257L36Very low33.9Very low182 Ų182151 Ų15195%0.95379%0.793SS**  trans-126.3120.8153-91.4163.7000106.9
258S32.7Very low34.1Very low103 Ų103148.8 Ų148.872%0.7280%0.803SS**  trans-120.1164.6179.2-171.40000109
259C28.8Very low34Very low98 Ų98146.1 Ų146.166%0.66280%0.798SS**  trans39.3112.3166.648.90000118.5
260H36.2Very low33.9Very low196 Ų196149.3 Ų149.391%0.90780%0.804SS**  -136.7148.8108-97-63.4000111.1
261S35.1Very low33.8Very low102 Ų102147 Ų14771%0.71380%0.795SS**  trans-83.8153-173.4-48.50000112P263S261-P263 WeakPolarHBondContact O-CD 3.44Å
262P35.2Very low34.1Very low127 Ų127151.6 Ų151.683%0.82580%0.802SS**  trans-80.1140.3168.333.4-33.2000111.5
263P42.2Very low34.1Very low112 Ų112146.7 Ų146.773%0.72779%0.792SS**  trans-117.2158.2148.135.9-27.4000112S261S261-P263 WeakPolarHBondContact O-CD 3.44Å
264N33.7Very low33.9Very low151 Ų151141.2 Ų141.281%0.80778%0.783SS**  trans-11.2157.7159.7-44.2-35.4000117.4
265I36.7Very low33.8Very low154 Ų154144.3 Ų144.379%0.7979%0.79SS**  cis-170.6158.648.2-53.8162.6000106.8
266P33.9Very low33.6Very low117 Ų117142.2 Ų142.276%0.7678%0.779SS**  cis-119.5-160.8-40.139.6-22.4000111.2
267Q32.7Very low33.7Very low174 Ų174145.4 Ų145.481%0.81378%0.781SS**  trans-80.8151.1163.7-59.6163.6-68.900112
268S34.1Very low33.6Very low117 Ų117143 Ų14382%0.81877%0.765SS**  trans-150.3144.4140.855.40000109.6
269N30.2Very low33.3Very low141 Ų141144.7 Ų144.775%0.75477%0.765SS**  trans-102.8140.1-178.3-55.5-70.3000109.6
270H35.2Very low33.5Very low185 Ų185145.5 Ų145.586%0.85677%0.773SS**  trans-140130.4151.6-93.3-77.6000111
271R28.4Very low33.1Very low208 Ų208141 Ų14179%0.78576%0.763SS**  trans-76.9141.7160-71.1179.5174.7161.2-4.8109D273R271-D273 VanDerWaalsContact CB-OD2 3.3Å; R271-D273 WeakPolarHBondContact CB-OD2 3.45Å
272I37Very low33.1Very low161 Ų161143.9 Ų143.983%0.82677%0.769SS**  trans-142.597.9147-55.6-179.1000101.7
273D32.9Very low33Very low116 Ų116144 Ų14462%0.6276%0.763SS**  63.4151.956.9-65.6-40000113.7R271R271-D273 VanDerWaalsContact CB-OD2 3.3Å; R271-D273 WeakPolarHBondContact CB-OD2 3.45Å
274S29.1Very low32.4Very low85 Ų85144.7 Ų144.759%0.59477%0.765SS**  trans-60.1143.7-151.1-158.10000116D276S274-D276 WeakPolarHBondContact CB-OD2 3.45Å; S274-D276 PolarHBondContact OG-N 3.41Å; S274-D276 PolarHBondContact OG-OD2 3.32Å
275L34.4Very low32.4Very low174 Ų174146.2 Ų146.291%0.91176%0.764SS**  trans-123.686.7148.3-79.2-179.1000109.3Y277L275-Y277 PolarHBondContact O-N 3.39Å
276D29.7Very low32.2Very low125 Ų125147 Ų14767%0.66877%0.765SS**  trans-60.4126.8162.8-70.2-91.4000110.1S274S274-D276 WeakPolarHBondContact CB-OD2 3.45Å; S274-D276 PolarHBondContact OG-N 3.41Å; S274-D276 PolarHBondContact OG-OD2 3.32Å
277Y33.3Very low32.2Very low225 Ų225149.2 Ų149.288%0.88277%0.767SS**  trans-122.676.7158.6-138.7-88000111.6L275L275-Y277 PolarHBondContact O-N 3.39Å
278Q33.9Very low32.4Very low132 Ų132148 Ų14862%0.61777%0.766SS**  trans43.6107.9132.6-67.4-63.6-13.200118.4
279N26.1Very low32.3Very low138 Ų138149.9 Ų149.974%0.73877%0.767SS**  trans-7.1120.1143.9-57.5-62.4000116.6
280S33.5Very low32.5Very low116 Ų116148.7 Ų148.781%0.81177%0.77SS**  trans-12280.115054.10000109.4I282S280-I282 PolarHBondContact O-N 3.46Å
281S27.5Very low32.6Very low102 Ų102145.8 Ų145.871%0.71376%0.76SS**  trans-60.9119.2-179.8-47.60000111.5
282I35.3Very low33.3Very low161 Ų161141.8 Ų141.883%0.82676%0.759SS**  trans-124.8121.3160.7-61.7-174.1000109.9S280S280-I282 PolarHBondContact O-N 3.46Å
283N33.4Very low33.7Very low131 Ų131140.9 Ų140.970%0.70176%0.756SS**  trans-58.8152.6-177.1-57.5-63.6000113.8F285N283-F285 PolarHBondContact O-N 3.02Å
284T29.4Very low34.2Very low125 Ų125141.1 Ų141.177%0.76776%0.757SS**  trans-5.1107.4138.7-50.80000115.3
285F32.9Very low34.6Very low183 Ų183144.4 Ų144.480%0.80377%0.765SS**  trans-122.8103147.6-100-79.9000109.9N283 M287N283-F285 PolarHBondContact O-N 3.02Å; F285-M287 PolarHBondContact O-N 3.47Å
286Q32.4Very low35.1Very low171 Ų171140.1 Ų140.180%0.79975%0.746SS**  trans-71.5109.7170-178.5-179.79.200108.2
287M35.7Very low35.8Very low164 Ų164138.8 Ų138.881%0.80874%0.739SS**  trans-128.3147.9169.1-77.9-159.6172.600111.1F285F285-M287 PolarHBondContact O-N 3.47Å
288N35.3Very low36.5Very low149 Ų149131.6 Ų131.680%0.79772%0.722SS**  trans-83.2167.8-159.3-69-47.1000114.2S290N288-S290 PolarHBondContact O-N 2.82Å
289N32Very low37.5Very low155 Ų155130.7 Ų130.783%0.82972%0.721SS**  trans-36.4131.3166.6-67.1-42.3000113.4
290S35.7Very low39Very low116 Ų116129 Ų12981%0.81171%0.712SS**  trans166.654.7132.4-740000114.6N288N288-S290 PolarHBondContact O-N 2.82Å
291N36.4Very low40.5Very low124 Ų124128.4 Ų128.466%0.66370%0.7SS**  trans-160.873.7161.4-131.9-35.1000116.2
292V43.3Very low42.7Very low125 Ų125126.9 Ų126.976%0.75869%0.686SS**  trans-88.4-18176.4179.30000112.7N294V292-N294 PolarHBondContact O-N 2.89Å
293N44.6Very low44.3Very low141 Ų141122 Ų12275%0.75467%0.67SS**THydrogen-bonded Turntrans-84.9-2.6-162.7-65.5-1.8000115.8
294N43.2Very low46.1Very low122 Ų122118.6 Ų118.665%0.65266%0.66SS**THydrogen-bonded Turntrans-110.1-14-174.1-108.1-22.2000115.7V292V292-N294 PolarHBondContact O-N 2.89Å
295M38.2Very low48.2Very low153 Ų153119.4 Ų119.475%0.75466%0.657SS**SBendtrans-85.7-20.2-178.1-71.9178.769.900114.2N297M295-N297 VanDerWaalsContact C-N 3.34Å; M295-N297 PolarHBondContact O-N 3.05Å
296T45Very low50.5Low85 Ų85114.3 Ų114.352%0.52164%0.637SS.*Hα-helixtrans-65.7-34.8178.645.80000112.9S298 N299 N300T296-S298 PolarHBondContact O-N 3.27Å; T296-N299 PolarHBondContact O-N 2.82Å; T296-N300 PolarHBondContact O-N 3.45Å
297N44Very low52.5Low97 Ų97108.9 Ų108.952%0.51962%0.622SS.*Hα-helixtrans-68.2-33.7-172.2-141.81.8000113M295 N300 N301M295-N297 VanDerWaalsContact C-N 3.34Å; M295-N297 PolarHBondContact O-N 3.05Å; N297-N300 PolarHBondContact O-N 3.04Å; N297-N301 PolarHBondContact O-N 3.01Å; N297-N301 PolarHBondContact O-ND2 2.81Å
298S48.1Very low54.7Low74 Ų74106.6 Ų106.652%0.51761%0.605SS.*Hα-helixtrans-63.2-42.6176.4-177.20000112.7T296 N301 T302T296-S298 PolarHBondContact O-N 3.27Å; S298-N301 PolarHBondContact O-N 3.41Å; S298-T302 PolarHBondContact O-N 3.15Å; S298-T302 VanDerWaalsContact O-N 3.16Å; S298-T302 PolarHBondContact O-OG1 2.91Å
299N54.4Low56.8Low112 Ų112103.3 Ų103.360%0.59959%0.585SS**Hα-helixtrans-70.3-37-178-68.4-20.8000111.5T296 T302 A303T296-N299 PolarHBondContact O-N 2.82Å; N299-T302 PolarHBondContact O-N 3.35Å; N299-A303 WeakPolarHBondContact O-CB 3.32Å; N299-A303 PolarHBondContact O-N 2.78Å
300N58.4Low59Low104 Ų104102 Ų10256%0.55657%0.572SS**Hα-helixtrans-62.8-44.8176-69.4-10.9000111.9T296 N297 T302 A303 A304T296-N300 PolarHBondContact O-N 3.45Å; N297-N300 PolarHBondContact O-N 3.04Å; N300-T302 PolarHBondContact O-N 2.87Å; N300-A303 PolarHBondContact O-N 3.31Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.33Å
301N64.4Low60.9Low102 Ų10299.2 Ų99.255%0.54555%0.546SS..Hα-helixtrans-63.4-39.9176.8-69.1-21.4000112.3N297 S298 A304 M305N297-N301 PolarHBondContact O-N 3.01Å; N297-N301 PolarHBondContact O-ND2 2.81Å; S298-N301 PolarHBondContact O-N 3.41Å; N301-A304 PolarHBondContact O-N 2.8Å; N301-M305 PolarHBondContact O-N 2.95Å
302T74Confident63.2Low71 Ų7198.2 Ų98.244%0.43654%0.537SS..Hα-helixtrans-64.9-41.2175-50.60000111.7S298 N299 N300 L306S298-T302 PolarHBondContact O-N 3.15Å; S298-T302 VanDerWaalsContact O-N 3.16Å; S298-T302 PolarHBondContact O-OG1 2.91Å; N299-T302 PolarHBondContact O-N 3.35Å; N300-T302 PolarHBondContact O-N 2.87Å; T302-L306 HydrophobicContact CG2-CD1 4.34Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 PolarHBondContact O-N 3.33Å; T302-L306 VanDerWaalsContact O-N 3.08Å
303A69.2Low65Low59 Ų5998.2 Ų98.249%0.48853%0.527SS..Hα-helixtrans-65.1-39175.300000112.4N299 N300 L306 A307N299-A303 WeakPolarHBondContact O-CB 3.32Å; N299-A303 PolarHBondContact O-N 2.78Å; N300-A303 PolarHBondContact O-N 3.31Å; A303-L306 CarbonylContact O-C 3.41Å; A303-L306 PolarHBondContact O-N 2.8Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.03Å
304A71.8Confident66.3Low59 Ų5994.3 Ų94.349%0.48851%0.514SS..Hα-helixtrans-63.1-48176.100000112N300 N301 L306 A307 Y308N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.33Å; N301-A304 PolarHBondContact O-N 2.8Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 2.78Å; A304-A307 WeakPolarHBondContact O-CB 3.42Å; A304-A307 PolarHBondContact O-N 3.49Å; A304-A307 VanDerWaalsContact O-N 3.09Å; A304-Y308 WeakPolarHBondContact O-CB 3.32Å; A304-Y308 PolarHBondContact O-N 3.26Å
305M73.8Confident68Low141 Ų14190 Ų9070%0.69549%0.493SS*.Hα-helixtrans-58.4-45.2173.4-72.8-142.2-55.700112N301 A307 Y308 E309N301-M305 PolarHBondContact O-N 2.95Å; M305-A307 PolarHBondContact O-N 2.9Å; M305-Y308 PolarHBondContact O-N 2.95Å; M305-E309 WeakPolarHBondContact O-CB 3.47Å; M305-E309 PolarHBondContact O-N 3.47Å
306L79.6Confident69.7Low76 Ų7685.6 Ų85.640%0.39848%0.48SS..Hα-helixtrans-68.3-16.8177.5-85168.1000113.9T302 A303 A304 K310T302-L306 HydrophobicContact CG2-CD1 4.34Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 PolarHBondContact O-N 3.33Å; T302-L306 VanDerWaalsContact O-N 3.08Å; A303-L306 CarbonylContact O-C 3.41Å; A303-L306 PolarHBondContact O-N 2.8Å; A304-L306 VanDerWaalsContact C-N 3.34Å; A304-L306 PolarHBondContact O-N 2.78Å; L306-K310 VanDerWaalsContact O-CD 3.24Å; L306-K310 WeakPolarHBondContact O-CD 3.47Å; L306-K310 WeakPolarHBondContact O-CE 3.48Å; L306-K310 WeakPolarHBondContact O-CG 3.47Å; L306-K310 PolarHBondContact O-NZ 3.47Å
307A75.7Confident71.1Confident57 Ų5786.6 Ų86.647%0.47149%0.486SS..Hα-helixtrans-83.2-45.4169.700000110.5A303 A304 M305 K310 H311A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.03Å; A304-A307 WeakPolarHBondContact O-CB 3.42Å; A304-A307 PolarHBondContact O-N 3.49Å; A304-A307 VanDerWaalsContact O-N 3.09Å; M305-A307 PolarHBondContact O-N 2.9Å; A307-K310 PolarHBondContact O-N 3.32Å; A307-H311 WeakPolarHBondContact O-CB 3.38Å; A307-H311 PolarHBondContact O-N 3.37Å
308Y81.5Confident72.5Confident117 Ų11784.9 Ų84.946%0.45949%0.485SS..Hα-helixtrans-60.7-45.4177.4-176.9-99.6000112.5A304 M305 K310 H311 Q312A304-Y308 WeakPolarHBondContact O-CB 3.32Å; A304-Y308 PolarHBondContact O-N 3.26Å; M305-Y308 PolarHBondContact O-N 2.95Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 3.4Å; Y308-H311 WeakPolarHBondContact O-CB 3.44Å; Y308-H311 PolarHBondContact O-N 3Å; Y308-H311 VanDerWaalsContact O-N 3.11Å; Y308-Q312 HydrophobicContact CD1-CG 4.41Å; Y308-Q312 HydrophobicContact CE1-CG 4.04Å; Y308-Q312 PolarHBondContact O-N 2.95Å; Y308-Q312 PolarHBondContact OH-NE2 3.03Å; Y308-Q312 VanDerWaalsContact OH-NE2 3.13Å
309E80Confident73.6Confident79 Ų7984.2 Ų84.237%0.36948%0.484SS..Hα-helixtrans-60.5-40175.5-167.8-150.7161.900112.2M305 K313M305-E309 WeakPolarHBondContact O-CB 3.47Å; M305-E309 PolarHBondContact O-N 3.47Å; E309-K313 WeakPolarHBondContact O-CG 3.44Å; E309-K313 PolarHBondContact O-N 3.37Å; E309-K313 VanDerWaalsContact O-N 3.1Å; E309-K313 WeakPolarHBondContact OE1-CE 3.48Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.17Å
310K78Confident74.2Confident128 Ų12881.8 Ų81.856%0.55748%0.479SS*.Hα-helixtrans-69.1-35.6175.1-70.5176.5-165.5110.50111.7L306 A307 Y308 K313 A314L306-K310 VanDerWaalsContact O-CD 3.24Å; L306-K310 WeakPolarHBondContact O-CD 3.47Å; L306-K310 WeakPolarHBondContact O-CE 3.48Å; L306-K310 WeakPolarHBondContact O-CG 3.47Å; L306-K310 PolarHBondContact O-NZ 3.47Å; A307-K310 PolarHBondContact O-N 3.32Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 3.4Å; K310-K313 PolarHBondContact O-N 2.86Å; K310-A314 WeakPolarHBondContact O-CB 3.45Å; K310-A314 PolarHBondContact O-N 2.91Å
311H76.2Confident74.5Confident58 Ų5879.4 Ų79.427%0.26948%0.475SS..Hα-helixtrans-66.5-48.6175.5-172.678.7000111.3A307 Y308 K313 A314 V315A307-H311 WeakPolarHBondContact O-CB 3.38Å; A307-H311 PolarHBondContact O-N 3.37Å; Y308-H311 WeakPolarHBondContact O-CB 3.44Å; Y308-H311 PolarHBondContact O-N 3Å; Y308-H311 VanDerWaalsContact O-N 3.11Å; H311-K313 VanDerWaalsContact C-N 3.29Å; H311-K313 PolarHBondContact O-N 3.23Å; H311-A314 WeakPolarHBondContact O-CB 3.43Å; H311-A314 PolarHBondContact O-N 3.09Å; H311-V315 WeakPolarHBondContact NE2-CG2 3.35Å; H311-V315 WeakPolarHBondContact O-CG2 3.43Å; H311-V315 PolarHBondContact O-N 2.82Å
312Q83.8Confident74.6Confident102 Ų10277.5 Ų77.548%0.47747%0.473SS..Hα-helixtrans-54.1-44.8173.1-73.7-167.8-15.700111.9Y308 A314 V315 A316Y308-Q312 HydrophobicContact CD1-CG 4.41Å; Y308-Q312 HydrophobicContact CE1-CG 4.04Å; Y308-Q312 PolarHBondContact O-N 2.95Å; Y308-Q312 PolarHBondContact OH-NE2 3.03Å; Y308-Q312 VanDerWaalsContact OH-NE2 3.13Å; Q312-A314 PolarHBondContact O-N 3.46Å; Q312-V315 PolarHBondContact O-N 2.92Å; Q312-A316 WeakPolarHBondContact O-CB 3.35Å; Q312-A316 PolarHBondContact O-N 3.42Å
313K80.1Confident74.2Confident126 Ų12677 Ų7755%0.54848%0.475SS..Hα-helixtrans-64.7-36.4176.7-73.9171.8176.51780112.9E309 K310 H311 V317E309-K313 WeakPolarHBondContact O-CG 3.44Å; E309-K313 PolarHBondContact O-N 3.37Å; E309-K313 VanDerWaalsContact O-N 3.1Å; E309-K313 WeakPolarHBondContact OE1-CE 3.48Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.17Å; K310-K313 PolarHBondContact O-N 2.86Å; H311-K313 VanDerWaalsContact C-N 3.29Å; H311-K313 PolarHBondContact O-N 3.23Å; K313-V317 WeakPolarHBondContact O-CG2 3.09Å; K313-V317 PolarHBondContact O-N 3.28Å
314A73.4Confident73.9Confident58 Ų5876.8 Ų76.848%0.47947%0.474SS..Hα-helixtrans-68.2-44.4174.400000112.2K310 H311 Q312 A316 V317 A318K310-A314 WeakPolarHBondContact O-CB 3.45Å; K310-A314 PolarHBondContact O-N 2.91Å; H311-A314 WeakPolarHBondContact O-CB 3.43Å; H311-A314 PolarHBondContact O-N 3.09Å; Q312-A314 PolarHBondContact O-N 3.46Å; A314-A316 PolarHBondContact O-N 3.38Å; A314-V317 PolarHBondContact O-N 3.46Å; A314-A318 PolarHBondContact O-N 3.14Å
315V79.3Confident73.2Confident33 Ų3378.4 Ų78.420%0.248%0.477CS..Hα-helixtrans-62.2-42.1176.1172.50000111W123 H311 Q312 V317 A318 A319W123-V315 HydrophobicContact CH2-CG1 4.17Å; W123-V315 HydrophobicContact CH2-CG2 4.26Å; W123-V315 HydrophobicContact CZ2-CG1 4.42Å; H311-V315 WeakPolarHBondContact NE2-CG2 3.35Å; H311-V315 WeakPolarHBondContact O-CG2 3.43Å; H311-V315 PolarHBondContact O-N 2.82Å; Q312-V315 PolarHBondContact O-N 2.92Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 2.96Å; V315-A318 PolarHBondContact O-N 3.23Å; V315-A319 WeakPolarHBondContact O-CB 3.36Å; V315-A319 PolarHBondContact O-N 2.87Å
316A73.8Confident72.5Confident60 Ų6074.6 Ų74.650%0.49647%0.468SS..Hα-helixtrans-61.3-40.3175.700000112.7Q312 A314 A320Q312-A316 WeakPolarHBondContact O-CB 3.35Å; Q312-A316 PolarHBondContact O-N 3.42Å; A314-A316 PolarHBondContact O-N 3.38Å; A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.49Å
317V73.1Confident71.1Confident106 Ų10674.4 Ų74.464%0.64248%0.478SS*.Hα-helixtrans-68.6-39.3174.9170.80000111.6K313 A314 V315 A320 A321K313-V317 WeakPolarHBondContact O-CG2 3.09Å; K313-V317 PolarHBondContact O-N 3.28Å; A314-V317 PolarHBondContact O-N 3.46Å; V315-V317 VanDerWaalsContact C-N 3.35Å; V315-V317 PolarHBondContact O-N 2.96Å; V317-A320 PolarHBondContact O-N 3.03Å; V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.96Å
318A73.3Confident69.9Low61 Ų6178.4 Ų78.450%0.50449%0.491SS..Hα-helixtrans-64.7-43.8175.500000111.9A314 V315 A321 A322A314-A318 PolarHBondContact O-N 3.14Å; V315-A318 PolarHBondContact O-N 3.23Å; A318-A321 PolarHBondContact O-N 2.86Å; A318-A322 WeakPolarHBondContact O-CB 3.28Å; A318-A322 PolarHBondContact O-N 2.83Å
319A71.5Confident68.4Low59 Ų5979 Ų7949%0.48850%0.502SS..Hα-helixtrans-63.4-42.3175.300000112V315 A321 A322 A323V315-A319 WeakPolarHBondContact O-CB 3.36Å; V315-A319 PolarHBondContact O-N 2.87Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 3.31Å; A319-A323 VanDerWaalsContact O-CB 3.32Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.26Å
320A68Low66.6Low61 Ų6178.6 Ų78.650%0.50452%0.52SS..Hα-helixtrans-64-38.1174.600000112.4A316 V317 A324A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.49Å; V317-A320 PolarHBondContact O-N 3.03Å; A320-A324 WeakPolarHBondContact O-CB 3.47Å; A320-A324 PolarHBondContact O-N 3.25Å
321A64.5Low64.6Low55 Ų5577.7 Ų77.746%0.45553%0.529SS..Hα-helixtrans-67.1-43.5174.500000112V317 A318 A319 A324 V325V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.96Å; A318-A321 PolarHBondContact O-N 2.86Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 2.9Å; A321-A324 PolarHBondContact O-N 2.87Å; A321-V325 WeakPolarHBondContact O-CG2 3.41Å; A321-V325 PolarHBondContact O-N 3.34Å
322A66.3Low62.3Low62 Ų6280.2 Ų80.251%0.51255%0.553SS.*Hα-helixtrans-62.4-44.6175.300000111.7A318 A319 A324 V325 A326A318-A322 WeakPolarHBondContact O-CB 3.28Å; A318-A322 PolarHBondContact O-N 2.83Å; A319-A322 PolarHBondContact O-N 3.31Å; A322-A324 VanDerWaalsContact C-N 3.34Å; A322-A324 PolarHBondContact O-N 3.06Å; A322-V325 PolarHBondContact O-N 3.11Å; A322-A326 PolarHBondContact O-N 3.47Å
323A65.6Low60Low59 Ų5981 Ų8149%0.48857%0.569SS.*Hα-helixtrans-62-38.4175.100000112.4A319 A326 A327A319-A323 VanDerWaalsContact O-CB 3.32Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.26Å; A323-A326 PolarHBondContact O-N 2.58Å; A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 2.94Å
324A62.5Low58Low55 Ų5581.3 Ų81.346%0.45559%0.587SS.*Hα-helixtrans-68.6-30.7175.500000113.3A320 A321 A322 N328A320-A324 WeakPolarHBondContact O-CB 3.47Å; A320-A324 PolarHBondContact O-N 3.25Å; A321-A324 PolarHBondContact O-N 2.87Å; A322-A324 VanDerWaalsContact C-N 3.34Å; A322-A324 PolarHBondContact O-N 3.06Å; A324-N328 PolarHBondContact O-N 2.93Å; A324-N328 PolarHBondContact O-ND2 3.49Å
325V58.1Low56.1Low93 Ų9382.6 Ų82.656%0.56461%0.606SS**Hα-helixtrans-72.7-45.8171.8172.20000110.7A321 A322 A327 N328 N329A321-V325 WeakPolarHBondContact O-CG2 3.41Å; A321-V325 PolarHBondContact O-N 3.34Å; A322-V325 PolarHBondContact O-N 3.11Å; V325-A327 PolarHBondContact O-N 3.38Å; V325-N328 PolarHBondContact O-N 3.41Å; V325-N329 PolarHBondContact O-N 2.82Å
326A57.5Low53.9Low61 Ų6188.9 Ų88.950%0.50464%0.638SS.*Hα-helixtrans-60.2-43176.500000112.2A322 A323 N328 N329 G330A322-A326 PolarHBondContact O-N 3.47Å; A323-A326 PolarHBondContact O-N 2.58Å; A326-N328 VanDerWaalsContact C-N 3.26Å; A326-N328 PolarHBondContact O-N 3.21Å; A326-N329 PolarHBondContact O-N 3.15Å; A326-G330 PolarHBondContact O-N 2.88Å
327A51.1Low52Low72 Ų7294.1 Ų94.160%0.59566%0.656SS**Hα-helixtrans-63.8-26.3178.900000114A323 V325A323-A327 VanDerWaalsContact O-CB 3.24Å; A323-A327 WeakPolarHBondContact O-CB 3.48Å; A323-A327 PolarHBondContact O-N 2.94Å; V325-A327 PolarHBondContact O-N 3.38Å
328N50.4Low50Low141 Ų14197.4 Ų97.475%0.75466%0.664SS**Hα-helixtrans-81.4-20.5173.9-83.9-28.8000113.4A324 V325 A326A324-N328 PolarHBondContact O-N 2.93Å; A324-N328 PolarHBondContact O-ND2 3.49Å; V325-N328 PolarHBondContact O-N 3.41Å; A326-N328 VanDerWaalsContact C-N 3.26Å; A326-N328 PolarHBondContact O-N 3.21Å
329N50.7Low48.2Very low129 Ų12999.4 Ų99.469%0.6968%0.675SS**Hα-helixtrans-102.5-17.1-177.8-68.80.5000113.4V325 A326 S331V325-N329 PolarHBondContact O-N 2.82Å; A326-N329 PolarHBondContact O-N 3.15Å; N329-S331 PolarHBondContact O-N 3.12Å
330G42Very low46.6Very low71 Ų71102.2 Ų102.273%0.73269%0.688SS**SBendtrans-93.121.2-170.200000117.3A326A326-G330 PolarHBondContact O-N 2.88Å
331S35.7Very low44.9Very low109 Ų109106.2 Ų106.276%0.76270%0.698SS**  trans-139.253.5-168.9-175.10000114.9N329N329-S331 PolarHBondContact O-N 3.12Å
332C27.1Very low43.4Very low112 Ų112111 Ų11176%0.75772%0.716SS**  trans-147.188.917055.90000113
333S35.4Very low41.7Very low117 Ų117114.3 Ų114.382%0.81872%0.721SS**  trans-155.2141.1166.5-79.20000111.2
334S37.7Very low40.2Very low134 Ų134122.8 Ų122.894%0.93774%0.742SS**  trans68.7130.4171.3-55.70000118.5
335G35Very low38.7Very low84 Ų84124.4 Ų124.487%0.86675%0.749SS**  trans120.265.5157.700000117.6
336N31.4Very low37.5Very low165 Ų165130.1 Ų130.188%0.88277%0.767SS**  trans-90.4133.9167.1-128.71.5000110
337I34.4Very low36.3Very low171 Ų171134 Ų13488%0.87778%0.78SS**  trans-171.3146.8147-98.9151.2000111.1
338H32.2Very low35.2Very low175 Ų175137.1 Ų137.181%0.8179%0.791SS**  trans-33.5130.8-171.5-90.379.6000121.7
339S34.5Very low34.5Very low103 Ų103138.1 Ų138.172%0.7279%0.791SS**  4.6155.8117-61.40000120.1
340P39.2Very low33.6Very low118 Ų118137 Ų13777%0.76679%0.793SS**  cis-139.1141.527.838.1-18.5000119.2
341M30.6Very low33.2Very low145 Ų145143.8 Ų143.871%0.71480%0.803SS**  26.6119.2125.5-177.4172.1174.300119.7Q343M341-Q343 HydrophobicContact CE-CG 4.46Å
342N34.9Very low33.2Very low154 Ų154145.5 Ų145.582%0.82480%0.804SS**  -147.1156.8119.5-133.9-25.8000112.8
343Q30.6Very low33.6Very low133 Ų133144.8 Ų144.862%0.62180%0.8SS**  trans-105154-173-57.8173.4-0.600111.1M341M341-Q343 HydrophobicContact CE-CG 4.46Å
344Y32.7Very low33.6Very low237 Ų237144.4 Ų144.493%0.92980%0.797SS**  trans-151.4136.9137.1-103.2-68.7000111.3
345S30.7Very low33.4Very low88 Ų88145.7 Ų145.762%0.61579%0.793SS**  trans-81.2154.4-176.5-47.90000112.5
346F33.2Very low33.3Very low213 Ų213148.9 Ų148.993%0.93479%0.79SS**  trans-141.8137.3145.4-93.1-68.9000112.2
347N33Very low33.5Very low143 Ų143145 Ų14577%0.76578%0.776SS**  trans-77.8151177.9-81.6-17.3000111.7H349N347-H349 PolarHBondContact O-N 3.22Å
348T28.2Very low33.6Very low137 Ų137144.6 Ų144.684%0.8477%0.77SS**  trans-75.5112165.9510000110.5
349H35.4Very low33.7Very low162 Ų162141.4 Ų141.475%0.7576%0.758SS**  trans-134.8142.1160.6-86.9-66.8000112.7N347N347-H349 PolarHBondContact O-N 3.22Å
350S32.1Very low33.7Very low105 Ų105145.1 Ų145.173%0.73476%0.758SS**  trans-35.1135.1177.9-44.60000116.4
351F33.5Very low33.8Very low215 Ų215146.6 Ų146.694%0.94375%0.754SS**  trans-126.8133144.9-83.6-78000109.8
352N35.6Very low34.3Very low145 Ų145145.6 Ų145.678%0.77575%0.748SS**  trans-147.1143-176.9-16914.3000108.4
353S34.6Very low34.4Very low96 Ų96145.3 Ų145.367%0.67174%0.741SS**  trans60.8135.9168.549.10000121.1
354S35.1Very low35.1Very low109 Ų109147.1 Ų147.176%0.76275%0.75SS**  trans70.6126.5157.7-53.70000118.5
355L33.8Very low35.8Very low161 Ų161140.1 Ų140.184%0.84373%0.733SS**  cis86.9147.140.2-72.7168.9000114.7
356N34.4Very low36.3Very low152 Ų152144.5 Ų144.581%0.81374%0.744SS**  trans72.8140-164.5-64.4-15.4000114.1
357S35Very low36.6Very low84 Ų84139.7 Ų139.759%0.58774%0.736SS**  cis-168.5139.6-6.8-113.90000113.3
358Q37.2Very low37Very low162 Ų162140.4 Ų140.476%0.75774%0.739SS**  trans63.6163.9148.6-47.1-69.7-5.700116.6
359L32.3Very low37.7Very low107 Ų107139.1 Ų139.156%0.5673%0.733SS**  cis-159.6176.1-11.7-126.7168.8000111
360Y36.4Very low38Very low181 Ų181138.9 Ų138.971%0.7173%0.732SS**  trans67.8118.3170.3-61.4-66000116.2
361H41.3Very low38.3Very low149 Ų149140.4 Ų140.469%0.6973%0.728SS**  79144.465.2-76.27000113
362H40Very low38.6Very low125 Ų125137.5 Ų137.558%0.57972%0.717SS**  cis-157.1152.523.4-138.330.3000112.2
363Q37.6Very low38.8Very low147 Ų147137.5 Ų137.569%0.68771%0.712SS**  trans54164.9140.6-71.5179.8-7.400122.2
364H45.6Very low39Very low172 Ų172140.9 Ų140.980%0.79672%0.717SS**  cis-159.3-179.3-47.6-113.2-22.4000109.4
365P45.6Very low38.9Very low90 Ų90143 Ų14358%0.58472%0.719SS**  trans-118.8-143.3-143.146.5-34.9000115.6
366H41.9Very low39.1Very low180 Ų180143.2 Ų143.283%0.83372%0.716SS**  trans82.5147.4-177.5-45.9-77.6000114
367S39.9Very low39.2Very low111 Ų111143.4 Ų143.478%0.77671%0.711SS**  cis-148.7151.815.451.70000114.3
368L40.5Very low39.1Very low159 Ų159145 Ų14583%0.83271%0.713SS**  trans-78.8177.3152.7-97.277.4000108.3
369P43Very low38.9Very low110 Ų110145.7 Ų145.771%0.71472%0.716SS**  cis-157.1-164.335.629.70.7000118
370Q42.5Very low39.2Very low156 Ų156143.6 Ų143.673%0.72972%0.72SS**  trans95.6118145.1-61-135.4-100123.1
371H37.3Very low39Very low138 Ų138144 Ų14464%0.63973%0.728SS**  trans62.2160.8135-73.6-89.7000119.8
372H40.6Very low38.8Very low154 Ų154144 Ų14471%0.71374%0.739SS**  cis-141.2-17413.9-150.375.7000113.4
373H39.4Very low38.4Very low145 Ų145141.5 Ų141.567%0.67175%0.748SS**  trans-58.1168.7176.3-65.2-69.8000113.3
374Q38.7Very low38.3Very low166 Ų166140.8 Ų140.878%0.77676%0.757SS**  -169.1149.853.7-179.1167.1-12.800115.1
375L33.9Very low37.8Very low155 Ų155136 Ų13681%0.81276%0.755SS**  trans-81.6145.5169.8-69.4132.5000111.3
376Q37.5Very low37.1Very low165 Ų165139.5 Ų139.577%0.77177%0.768SS**  trans178.9140.6137.5-98.3159.528.100109.9
377H36.8Very low36.7Very low156 Ų156135.7 Ų135.772%0.72276%0.762SS**  70.1132.981-143-104.9000110.9
378L33.6Very low36.4Very low117 Ų117135.3 Ų135.361%0.61376%0.76SS**  cis-169.4179.5-8.6-158.972.4000107.4
379Q32.9Very low36.1Very low177 Ų177135.6 Ų135.683%0.82776%0.756SS**  trans65.9159.6163-65.7144.7-57.900116.2
380G37.4Very low35.6Very low63 Ų63135.6 Ų135.665%0.64976%0.759SS**  cis177.7153.3-11.900000113.9
381Q33.6Very low35.2Very low189 Ų189131 Ų13188%0.88375%0.753SS**  trans31.9116.3146.5-58.9175-4.600120.5
382T36.1Very low35Very low148 Ų148131.5 Ų131.591%0.90876%0.761SS**  179.1134.811526.50000107.9
383G32.9Very low34.6Very low74 Ų74129 Ų12976%0.76376%0.756SS**  97.4141.588.100000110
384C33.7Very low34.4Very low131 Ų131128.3 Ų128.389%0.88576%0.757SS**  cis-167.6159.6-1.252.60000110.1
385G36.4Very low34.1Very low73 Ų73127 Ų12775%0.75376%0.756SS**  trans77.1110.3170.100000115.1
386N29.8Very low34.3Very low162 Ų162123.5 Ų123.587%0.86674%0.744SS**  cis80.1138.414.9-141.632.2000116.4
387S33.6Very low34.2Very low101 Ų101123.4 Ų123.471%0.70675%0.748SS**  trans91.6114.1180-37.40000114.9
388S34.1Very low34.2Very low103 Ų103119.3 Ų119.372%0.7275%0.747SS**  104.7152.670.5-75.90000110.2
389H35.1Very low34.7Very low165 Ų165120.2 Ų120.276%0.76476%0.76SS**  cis-150.4147.4-5.4-122.236.1000106.7
390S32.7Very low34.7Very low109 Ų109115.8 Ų115.876%0.76276%0.762SS**  55.9124.789.4-162.70000115.6
391G32.6Very low34.5Very low59 Ų59116.2 Ų116.261%0.60877%0.767SS**  trans135.3113.217700000110.7
392N33.5Very low34.7Very low150 Ų150115.3 Ų115.380%0.80277%0.768SS**  74134.366.8-71.611.3000112.4
393T33.3Very low34.7Very low101 Ų101111.4 Ų111.462%0.6276%0.757SS**  cis-167.3149.7-5.213.70000108.8
394N33.9Very low34.9Very low130 Ų130116 Ų11670%0.69576%0.764SS**  trans59.8161.8149.2-53.2-2000120.1
395D33.2Very low35Very low138 Ų138113 Ų11374%0.73876%0.755SS**  trans61.4138.9143.8-73-44.2000120.7
396S37.9Very low34.9Very low82 Ų82115.5 Ų115.557%0.57376%0.761SS**  cis-165175-11.3-128.80000109.8
397I35.9Very low35.3Very low164 Ų164113.7 Ų113.784%0.84176%0.756SS**  trans37.7113.9149.5-55.5158.5000115.9
398G36.1Very low35.6Very low69 Ų69112.3 Ų112.371%0.71175%0.746SS**  160.7-170.851.700000112.5
399P44.5Very low35.8Very low137 Ų137113.9 Ų113.989%0.8975%0.751SS**  trans-123.6169.7-143.641.9-32.1000116.9
400G32.2Very low36Very low84 Ų84109.8 Ų109.887%0.86675%0.745SS**  trans116.3137.7161.200000114.3
401G34.1Very low36.2Very low72 Ų72107.1 Ų107.174%0.74273%0.73SS**  cis178.9-177.5-3.900000113.7
402N37.5Very low36.5Very low169 Ų169107.6 Ų107.690%0.90473%0.729SS**  trans-9.4139.6169.8-51.4-14.3000118.4
403G36.6Very low36.7Very low67 Ų67103.5 Ų103.569%0.69172%0.716SS**  cis149.8-164.62.700000112.1
404N37.3Very low37.2Very low171 Ų171101.8 Ų101.891%0.91471%0.712SS**  trans59.9104.7162.9-54.7-11.6000117.4
405G35.1Very low37.5Very low67 Ų6798.5 Ų98.569%0.69170%0.703SS**  trans-159.826.8178.700000115.4V407G405-V407 WeakPolarHBondContact O-CG2 3.44Å; G405-V407 PolarHBondContact O-N 3.48Å; G405-V407 VanDerWaalsContact O-N 3.12Å
406S33.8Very low37.8Very low125 Ų12594.7 Ų94.787%0.87469%0.69SS**  trans-73.498.4-178.853.10000112
407V39.3Very low38.2Very low125 Ų12596 Ų9676%0.75869%0.694SS**  trans-125.4102.7175.2-113.90000112.9G405G405-V407 WeakPolarHBondContact O-CG2 3.44Å; G405-V407 PolarHBondContact O-N 3.48Å; G405-V407 VanDerWaalsContact O-N 3.12Å
408S40Very low38.5Very low72 Ų7291.3 Ų91.350%0.50368%0.68SS.*  trans53.163.2139.364.20000119.7A410 A411S408-A410 PolarHBondContact O-N 3.23Å; S408-A411 WeakPolarHBondContact O-CB 3.42Å; S408-A411 PolarHBondContact O-N 3.26Å
409V36.4Very low38.9Very low135 Ų13595 Ų9582%0.81868%0.68SS**Hα-helixtrans-53.8-29.5149.71770000110.7A411 A412V409-A411 PolarHBondContact O-N 2.93Å; V409-A412 PolarHBondContact O-N 3.33Å
410A39.8Very low38.7Very low79 Ų7996.4 Ų96.465%0.65368%0.675SS**Hα-helixtrans-58-25.7170.900000115.1S408 A414S408-A410 PolarHBondContact O-N 3.23Å; A410-A414 PolarHBondContact O-N 2.86Å
411A38.1Very low39.1Very low53 Ų5397 Ų9744%0.43867%0.666SS.*Hα-helixtrans-75.2-33.8178.400000112.4S408 V409 A413 A414 A415S408-A411 WeakPolarHBondContact O-CB 3.42Å; S408-A411 PolarHBondContact O-N 3.26Å; V409-A411 PolarHBondContact O-N 2.93Å; A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 2.99Å; A411-A414 PolarHBondContact O-N 3.11Å; A411-A415 PolarHBondContact O-N 3.38Å
412A37.5Very low39.4Very low70 Ų7099.2 Ų99.258%0.57966%0.66SS**Hα-helixtrans-65-35.1175.900000111.9V409 A416V409-A412 PolarHBondContact O-N 3.33Å; A412-A416 PolarHBondContact O-N 3.25Å
413A39.4Very low39.6Very low64 Ų6498.9 Ų98.953%0.52965%0.653SS.*Hα-helixtrans-65.6-40.4175.100000112.5A411 V417A411-A413 VanDerWaalsContact C-N 3.3Å; A411-A413 PolarHBondContact O-N 2.99Å; A413-V417 PolarHBondContact O-N 3.29Å
414A41.9Very low40Very low65 Ų65103 Ų10354%0.53766%0.659SS.*Hα-helixtrans-67.5-42.8179.200000112.7A410 A411 A416 V417 A418A410-A414 PolarHBondContact O-N 2.86Å; A411-A414 PolarHBondContact O-N 3.11Å; A414-A416 VanDerWaalsContact C-N 3.31Å; A414-A416 PolarHBondContact O-N 2.88Å; A414-V417 PolarHBondContact O-N 3.1Å; A414-A418 PolarHBondContact O-N 3.43Å
415A41.1Very low40.2Very low61 Ų6199.1 Ų99.150%0.50464%0.641SS.*Hα-helixtrans-63.3-34.8178.600000113A411 A418 M419A411-A415 PolarHBondContact O-N 3.38Å; A415-A418 PolarHBondContact O-N 2.93Å; A415-M419 PolarHBondContact O-N 3.46Å
416A40.2Very low40.3Very low58 Ų58100 Ų10048%0.47964%0.641SS.*Hα-helixtrans-65.9-37176.900000112.9A412 A414 H420A412-A416 PolarHBondContact O-N 3.25Å; A414-A416 VanDerWaalsContact C-N 3.31Å; A414-A416 PolarHBondContact O-N 2.88Å; A416-H420 PolarHBondContact O-N 3.4Å
417V44.9Very low40.5Very low109 Ų10998.6 Ų98.666%0.66164%0.638SS**Hα-helixtrans-69.5-39.7178.4176.10000111.4A413 A414 M419 H420A413-V417 PolarHBondContact O-N 3.29Å; A414-V417 PolarHBondContact O-N 3.1Å; V417-M419 PolarHBondContact O-N 3.31Å; V417-H420 PolarHBondContact O-N 2.88Å
418A43.9Very low40.5Very low65 Ų6598.8 Ų98.854%0.53764%0.639SS.*Hα-helixtrans-61.3-43.2178.300000112.8A414 A415 H420 S421A414-A418 PolarHBondContact O-N 3.43Å; A415-A418 PolarHBondContact O-N 2.93Å; A418-H420 VanDerWaalsContact C-N 3.34Å; A418-H420 PolarHBondContact O-N 2.58Å; A418-S421 PolarHBondContact O-N 3.25Å
419M44.3Very low40.3Very low146 Ų14699.9 Ų99.972%0.71965%0.653SS**Hα-helixtrans-70.2-28.7179.8-69-71.1-81.300113.1A415 V417 S421A415-M419 PolarHBondContact O-N 3.46Å; V417-M419 PolarHBondContact O-N 3.31Å; M419-S421 VanDerWaalsContact C-N 3.26Å; M419-S421 PolarHBondContact O-N 3.1Å
420H40Very low40.6Very low167 Ų16798.4 Ų98.477%0.77365%0.654SS**Hα-helixtrans-75.1-13.7-178.3-142.5-87.9000113.6A416 V417 A418A416-H420 PolarHBondContact O-N 3.4Å; V417-H420 PolarHBondContact O-N 2.88Å; A418-H420 VanDerWaalsContact C-N 3.34Å; A418-H420 PolarHBondContact O-N 2.58Å
421S39.5Very low40.2Very low96 Ų9697.8 Ų97.867%0.67166%0.656SS**THydrogen-bonded Turntrans-87.7-8.2-177.7-1590000114.8A418 M419A418-S421 PolarHBondContact O-N 3.25Å; M419-S421 VanDerWaalsContact C-N 3.26Å; M419-S421 PolarHBondContact O-N 3.1Å
422L42Very low40.4Very low119 Ų119103.5 Ų103.562%0.62367%0.673SS**THydrogen-bonded Turntrans-104.4-17-177.1-76.2164.3000114.1N424 V425L422-N424 PolarHBondContact O-N 3.36Å; L422-V425 PolarHBondContact O-N 2.88Å
423H41.7Very low40.8Very low162 Ų162106.5 Ų106.575%0.7569%0.685SS**THydrogen-bonded Turntrans-74.6-6.5-172.9-124.3-85.1000115.4
424N44.7Very low40.5Very low153 Ų153106.9 Ų106.982%0.81869%0.694SS**THydrogen-bonded Turntrans-93.4-7.3168.7-78.4-12.1000113.5L422L422-N424 PolarHBondContact O-N 3.36Å
425V41.9Very low40.3Very low91 Ų91112.9 Ų112.955%0.55271%0.711SS**THydrogen-bonded Turntrans-99-23.3-176.3-173.40000112.1L422 A427 V428L422-V425 PolarHBondContact O-N 2.88Å; V425-A427 PolarHBondContact O-N 3.44Å; V425-V428 PolarHBondContact O-N 3.28Å
426A36.8Very low40Very low84 Ų84115.7 Ų115.769%0.69473%0.727SS**THydrogen-bonded Turntrans-64.9-2.5-178.300000115.7
427A38.1Very low40.1Very low96 Ų96120.7 Ų120.779%0.79374%0.744SS**THydrogen-bonded Turntrans-94-2.3-178.600000114.7V425V425-A427 PolarHBondContact O-N 3.44Å
428V38.9Very low39.7Very low129 Ų129118.8 Ų118.878%0.78275%0.746SS**SBendtrans-114.6-11.1-167-172.70000113.7V425V425-V428 PolarHBondContact O-N 3.28Å
429A35.7Very low39.7Very low96 Ų96121.8 Ų121.879%0.79376%0.758SS**  trans-117.565.2-167.800000114.5
430A42.3Very low39.2Very low103 Ų103122.3 Ų122.385%0.85176%0.758SS**  trans-144.931.8175.300000113.9H432A430-H432 PolarHBondContact O-N 2.98Å
431G32.4Very low39.4Very low67 Ų67120.3 Ų120.369%0.69176%0.758SS**  trans-90.531.6-168.400000117.4
432H42.4Very low39.4Very low173 Ų173121.9 Ų121.980%0.80176%0.764SS**  trans-129.8107.9-171.8-67.9-66.3000116.2A430A430-H432 PolarHBondContact O-N 2.98Å
433T45.2Very low39.5Very low133 Ų133123 Ų12382%0.81678%0.775SS**  trans54.792.7137600000120.8
434G33.2Very low39.5Very low71 Ų71121.7 Ų121.773%0.73277%0.774SS**  107.4166.911700000119.9
435H37.1Very low39.4Very low191 Ų191121 Ų12188%0.88477%0.77SS**  trans68.675.9169.1-5697.9000118.1
436S35.8Very low39.8Very low120 Ų120126.6 Ų126.684%0.83979%0.788SS**  trans-74.2125.4159.4550000112.2
437I42.2Very low40.1Very low164 Ų164134.5 Ų134.584%0.84180%0.799SS**  trans-123.6115.3157.7-64.9179.7000107.2
438G36.1Very low40.3Very low69 Ų69132.4 Ų132.471%0.71179%0.787SS**  trans-99.8138.3-179.800000112.2
439V44.1Very low41.2Very low128 Ų128134.9 Ų134.978%0.77680%0.795SS**  trans-118.7140.9165.6-178.30000109.2
440H32.9Very low42.4Very low156 Ų156135.5 Ų135.572%0.72279%0.793SS**  trans-100.6133.3-162.533.5-92.6000111.5
441T45Very low43.3Very low125 Ų125139.5 Ų139.577%0.76780%0.795SS**  trans-161.7111.7148-3.40000113.8
442T39.4Very low45Very low130 Ų130147.4 Ų147.480%0.79880%0.804SS**  trans32.186144.157.60000119.5N444T442-N444 PolarHBondContact O-N 3.2Å
443T43.7Very low46.6Very low142 Ų142151 Ų15187%0.87181%0.81SS**  trans-85.99516549.30000111.9
444N41.9Very low48.2Very low134 Ų134154.4 Ų154.472%0.71781%0.814SS**  trans-129.4136.2172.9-109.7-24000112.4T442T442-N444 PolarHBondContact O-N 3.2Å
445N41.5Very low50.7Low139 Ų139162.1 Ų162.174%0.74382%0.821SS**  trans66.942.1160.1-63-18.3000121.4
446F51.2Low53Low209 Ų209164.2 Ų164.292%0.91782%0.821SS**  trans-95.734.1154.2-73.2-70.9000113.7G448F446-G448 VanDerWaalsContact C-N 3.28Å; F446-G448 PolarHBondContact O-N 2.88Å
447R43.8Very low55.3Low249 Ų249163.9 Ų163.994%0.9481%0.813SS**  trans-81.568175.1-71.9-168.8177-149.51111.8
448G42.5Very low57.7Low52 Ų52163.4 Ų163.454%0.53681%0.812SS.*  trans-154.4160.717700000113.8F446 S450F446-G448 VanDerWaalsContact C-N 3.28Å; F446-G448 PolarHBondContact O-N 2.88Å; G448-S450 VanDerWaalsContact C-N 3.26Å; G448-S450 PolarHBondContact O-N 3.29Å
449L57.1Low60.5Low182 Ų182163.1 Ų163.195%0.95379%0.791SS**  trans63.7-5.5164.8-54.7177.4000119.7Q451L449-Q451 PolarHBondContact O-N 3.2Å
450S59.8Low63Low108 Ų108160.9 Ų160.976%0.75578%0.778SS**  trans-70.393.2167.7-171.30000111.4G448 R452G448-S450 VanDerWaalsContact C-N 3.26Å; G448-S450 PolarHBondContact O-N 3.29Å; S450-R452 PolarHBondContact O-N 3.17Å
451Q61.9Low66.1Low188 Ų188160.8 Ų160.888%0.87978%0.777SS**  trans-66.390.3172.6-75.3-170.4-15.200110.5L449 R453L449-Q451 PolarHBondContact O-N 3.2Å; Q451-R453 PolarHBondContact O-N 3.01Å
452R68.1Low68.6Low233 Ų233158.1 Ų158.188%0.87977%0.768SS**  trans-56.7107.2175.9-62.4-178.982.1167.56.5109.8S450 K454S450-R452 PolarHBondContact O-N 3.17Å; R452-K454 PolarHBondContact O-N 3.35Å; R452-K454 VanDerWaalsContact O-N 3.17Å
453R76.6Confident71.4Confident249 Ų249153.5 Ų153.594%0.9474%0.738SS**PPolyproline II helixtrans-50122.1174.4-70.3179.4176.4168.8-0.8109.2Q451 R455Q451-R453 PolarHBondContact O-N 3.01Å; R453-R455 PolarHBondContact O-N 3.43Å
454K78.1Confident73.9Confident204 Ų204148.2 Ų148.289%0.88771%0.705SS**PPolyproline II helixtrans-58.1125.1-176.6-168.8167.1-177172.20109.7R452 R456R452-K454 PolarHBondContact O-N 3.35Å; R452-K454 VanDerWaalsContact O-N 3.17Å; K454-R456 PolarHBondContact O-N 2.88Å
455R85.1Confident76.6Confident233 Ų233148.6 Ų148.688%0.87970%0.698SS**PPolyproline II helixtrans-52.9128.2-177.9-178.8175.2177.9166.60.3109.7R453 V457R453-R455 PolarHBondContact O-N 3.43Å; R455-V457 PolarHBondContact O-N 3.4Å
456R87Confident79.3Confident234 Ų234144 Ų14488%0.88367%0.672SS**PPolyproline II helixtrans-62.4127.1172.6-68.8-177.3179.2174.90.4108.6K454K454-R456 PolarHBondContact O-N 2.88Å
457V83.8Confident81.5Confident113 Ų113134 Ų13469%0.68563%0.628SS**PPolyproline II helixtrans-85.6131.9172.3179.70000107.8R455R455-V457 PolarHBondContact O-N 3.4Å
458L92Very high84.1Confident155 Ų155125.9 Ų125.981%0.81260%0.6SS**PPolyproline II helixtrans-91.3143.4169.7-60.5177.1000108.6
459F95.8Very high86.7Confident63 Ų63129 Ų12928%0.27660%0.596SS.*PPolyproline II helixtrans-76.4149.9171.5-55.5-52.4000109.9Q463 V464 L491 Q495 W499F459-Q463 HydrophobicContact CB-CB 4.15Å; F459-V464 HydrophobicContact CB-CG2 3.97Å; F459-L491 HydrophobicContact CD1-CD1 3.63Å; F459-L491 HydrophobicContact CD1-CD2 3.66Å; F459-L491 HydrophobicContact CD1-CG 4.33Å; F459-L491 HydrophobicContact CE1-CD1 3.65Å; F459-L491 HydrophobicContact CE1-CD2 3.69Å; F459-L491 HydrophobicContact CE1-CG 4.34Å; F459-L491 HydrophobicContact CG-CD1 4.32Å; F459-L491 HydrophobicContact CZ-CD1 4.36Å; F459-Q495 HydrophobicContact CE1-CB 4.22Å; F459-Q495 HydrophobicContact CE1-CG 4.28Å; F459-Q495 HydrophobicContact CZ-CB 4.16Å; F459-Q495 HydrophobicContact CZ-CG 4.36Å; F459-W499 AromaticContact CD2-CD1 3.93Å; F459-W499 HydrophobicContact CE2-CB 4.49Å; F459-W499 AromaticContact CE2-CD1 3.79Å
460T96.9Very high88.7Confident80 Ų80123.9 Ų123.949%0.49156%0.564SS.*PPolyproline II helixtrans-72.5158.8174.571.60000110.8A462 Q463 V464T460-A462 PolarHBondContact O-N 2.9Å; T460-Q463 WeakPolarHBondContact O-CB 3.2Å; T460-Q463 PolarHBondContact O-N 3.29Å; T460-Q463 WeakPolarHBondContact OG1-CG 3.24Å; T460-Q463 PolarHBondContact OG1-N 2.88Å; T460-V464 PolarHBondContact O-N 2.91Å
461Q97.1Very high90.5Very high154 Ų154119 Ų11972%0.7253%0.529SS*.Hα-helixtrans-59.8-34.6179.4-170.760.221.300112.4V464 Y465Q461-V464 PolarHBondContact O-N 3.19Å; Q461-Y465 WeakPolarHBondContact O-CB 3.38Å; Q461-Y465 PolarHBondContact O-N 3.36Å
462A97.3Very high92.1Very high70 Ų70117.7 Ų117.758%0.57952%0.521SS*.Hα-helixtrans-66.6-39.817400000112.7T460 Y465 E466T460-A462 PolarHBondContact O-N 2.9Å; A462-Y465 PolarHBondContact O-N 3.1Å; A462-E466 PolarHBondContact O-N 3.31Å; A462-E466 VanDerWaalsContact O-N 3.11Å
463Q97.8Very high93.5Very high32 Ų32112.7 Ų112.715%0.1551%0.507CS..Hα-helixtrans-63.2-43.7173.1-73.9173.8-28.300111.4F459 T460 L467 I489F459-Q463 HydrophobicContact CB-CB 4.15Å; T460-Q463 WeakPolarHBondContact O-CB 3.2Å; T460-Q463 PolarHBondContact O-N 3.29Å; T460-Q463 WeakPolarHBondContact OG1-CG 3.24Å; T460-Q463 PolarHBondContact OG1-N 2.88Å; Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 VanDerWaalsContact O-CD1 3.31Å; Q463-L467 WeakPolarHBondContact O-CD1 3.47Å; Q463-L467 WeakPolarHBondContact O-CG 3.49Å; Q463-L467 PolarHBondContact O-N 3.32Å; Q463-I489 HydrophobicContact CG-CB 4.33Å; Q463-I489 WeakPolarHBondContact CG-O 3.34Å; Q463-I489 PolarHBondContact NE2-O 3.24Å
464V97.6Very high94.5Very high31 Ų31103 Ų10319%0.18847%0.473CS..Hα-helixtrans-62.8-43.4176177.20000110.9F459 T460 Q461 L467 E468F459-V464 HydrophobicContact CB-CG2 3.97Å; T460-V464 PolarHBondContact O-N 2.91Å; Q461-V464 PolarHBondContact O-N 3.19Å; V464-L467 PolarHBondContact O-N 2.98Å; V464-E468 HydrophobicContact CG1-CG 4.29Å; V464-E468 WeakPolarHBondContact O-CB 3.37Å; V464-E468 WeakPolarHBondContact O-CG 3.4Å; V464-E468 PolarHBondContact O-N 3.33Å
465Y97.8Very high95.3Very high143 Ų14397.8 Ų97.856%0.56145%0.45SS*.Hα-helixtrans-57.9-50.9178176.2-93.2000112.7Q461 A462 L467 E468 R469Q461-Y465 WeakPolarHBondContact O-CB 3.38Å; Q461-Y465 PolarHBondContact O-N 3.36Å; A462-Y465 PolarHBondContact O-N 3.1Å; Y465-L467 PolarHBondContact O-N 3.42Å; Y465-E468 PolarHBondContact O-N 3.01Å; Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.49Å; Y465-R469 PolarHBondContact O-N 3.37Å
466E97.9Very high96Very high42 Ų4294.4 Ų94.420%0.19644%0.438CS..Hα-helixtrans-68.9-33.9179.3-77.1-58.3141.700112.9A462 R469 R470 I489A462-E466 PolarHBondContact O-N 3.31Å; A462-E466 VanDerWaalsContact O-N 3.11Å; E466-R469 VanDerWaalsContact CD-NH1 3.29Å; E466-R469 PolarHBondContact O-N 2.96Å; E466-R469 WeakPolarHBondContact OE1-CD 3.2Å; E466-R469 IonicContact OE1-CZ 2.81Å; E466-R469 IonicContact OE1-NE 2.78Å; E466-R469 IonicContact OE1-NH1 3.43Å; E466-R469 PolarHBondContact OE1-NH1 2.68Å; E466-R469 IonicContact OE2-CZ 2.73Å; E466-R469 IonicContact OE2-NH1 3.91Å; E466-R469 PolarHBondContact OE2-NH1 3.06Å; E466-R470 PolarHBondContact O-N 3.11Å; E466-I489 HydrophobicContact CB-CG2 3.71Å; E466-I489 HydrophobicContact CG-CG2 4.36Å
467L98.4Very high96.4Very high0 Ų084.1 Ų84.10%040%0.401CS..Hα-helixtrans-60.9-45170.8-74165.6000111.3Q463 V464 Y465 F471 L485 I489 L491 V496 W499 F500Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 VanDerWaalsContact O-CD1 3.31Å; Q463-L467 WeakPolarHBondContact O-CD1 3.47Å; Q463-L467 WeakPolarHBondContact O-CG 3.49Å; Q463-L467 PolarHBondContact O-N 3.32Å; V464-L467 PolarHBondContact O-N 2.98Å; Y465-L467 PolarHBondContact O-N 3.42Å; L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 3.5Å; L467-L485 HydrophobicContact CD2-CD2 4.14Å; L467-I489 HydrophobicContact CD1-CD1 4.13Å; L467-I489 HydrophobicContact CD2-CD1 3.58Å; L467-I489 HydrophobicContact CG-CD1 3.62Å; L467-L491 HydrophobicContact CD1-CD1 4.1Å; L467-V496 HydrophobicContact CD2-CG1 4.18Å; L467-V496 HydrophobicContact CD2-CG2 4.35Å; L467-W499 VanDerWaalsContact C-CH2 3.43Å; L467-W499 HydrophobicContact CB-CD2 3.85Å; L467-W499 HydrophobicContact CB-CE3 3.87Å; L467-W499 HydrophobicContact CB-CH2 3.71Å; L467-W499 HydrophobicContact CB-CZ2 3.67Å; L467-W499 HydrophobicContact CB-CZ3 3.82Å; L467-W499 HydrophobicContact CD1-CB 4.47Å; L467-W499 HydrophobicContact CD1-CD2 3.93Å; L467-W499 HydrophobicContact CD1-CG 3.83Å; L467-W499 HydrophobicContact CD2-CD2 4.19Å; L467-W499 HydrophobicContact CD2-CE3 4.07Å; L467-W499 HydrophobicContact CD2-CG 4.46Å; L467-W499 HydrophobicContact CG-CD2 4.21Å; L467-W499 HydrophobicContact CG-CE3 4.39Å; L467-W499 WeakPolarHBondContact O-CH2 3.23Å; L467-W499 WeakPolarHBondContact O-CZ3 3.47Å; L467-F500 HydrophobicContact CD2-CD2 4.33Å; L467-F500 HydrophobicContact CD2-CE2 3.88Å
468E98Very high97.1Very high77 Ų7781.3 Ų81.336%0.3639%0.386SS..Hα-helixtrans-70.3-38.1177-70.4-167.5167.200113.1V464 Y465 F471 K472 W499 H503V464-E468 HydrophobicContact CG1-CG 4.29Å; V464-E468 WeakPolarHBondContact O-CB 3.37Å; V464-E468 WeakPolarHBondContact O-CG 3.4Å; V464-E468 PolarHBondContact O-N 3.33Å; Y465-E468 PolarHBondContact O-N 3.01Å; E468-F471 CarbonylContact O-C 3.58Å; E468-F471 PolarHBondContact O-N 3.39Å; E468-K472 WeakPolarHBondContact O-CG 3.44Å; E468-K472 PolarHBondContact O-N 3.05Å; E468-W499 HydrophobicContact CB-CH2 4.41Å; E468-W499 HydrophobicContact CG-CH2 3.7Å; E468-W499 HydrophobicContact CG-CZ2 3.57Å; E468-H503 IonicContact OE1-CE1 3.03Å
469R97.7Very high97.3Very high119 Ų11976.9 Ų76.945%0.44937%0.372SS..Hα-helixtrans-60-50.5174.4-179173.8171.7-120.54.5111Y465 E466 F471 K472 Q473Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.49Å; Y465-R469 PolarHBondContact O-N 3.37Å; E466-R469 VanDerWaalsContact CD-NH1 3.29Å; E466-R469 PolarHBondContact O-N 2.96Å; E466-R469 WeakPolarHBondContact OE1-CD 3.2Å; E466-R469 IonicContact OE1-CZ 2.81Å; E466-R469 IonicContact OE1-NE 2.78Å; E466-R469 IonicContact OE1-NH1 3.43Å; E466-R469 PolarHBondContact OE1-NH1 2.68Å; E466-R469 IonicContact OE2-CZ 2.73Å; E466-R469 IonicContact OE2-NH1 3.91Å; E466-R469 PolarHBondContact OE2-NH1 3.06Å; R469-F471 VanDerWaalsContact C-N 3.34Å; R469-F471 PolarHBondContact O-N 2.95Å; R469-K472 PolarHBondContact O-N 3.26Å; R469-Q473 PolarHBondContact O-N 3.24Å
470R97.4Very high97.4Very high74 Ų7478.3 Ų78.328%0.27939%0.388SS..Hα-helixtrans-67.7-33.8175-170.164.7179.5-150.83.4111.9E466 Q473 Q474 L477 E481 L485 F500E466-R470 PolarHBondContact O-N 3.11Å; R470-Q473 PolarHBondContact O-N 3.33Å; R470-Q474 PolarHBondContact O-N 3.25Å; R470-L477 HydrophobicContact CG-CD2 3.85Å; R470-E481 IonicContact NH2-OE1 2.67Å; R470-E481 PolarHBondContact NH2-OE1 3.48Å; R470-L485 HydrophobicContact CB-CD1 4.38Å; R470-L485 HydrophobicContact CB-CD2 4.07Å; R470-L485 HydrophobicContact CG-CD2 4.06Å; R470-F500 HydrophobicContact CB-CZ 4.28Å; R470-F500 HydrophobicContact CG-CZ 4.24Å
471F97.9Very high97.4Very high5 Ų577 Ų772%0.02238%0.376CS..Hα-helixtrans-67.4-33.1174.8-169.7-100.2000113.6L467 E468 R469 K475 W499 F500 H503 R504L467-F471 WeakPolarHBondContact O-CB 3.37Å; L467-F471 PolarHBondContact O-N 3.5Å; E468-F471 CarbonylContact O-C 3.58Å; E468-F471 PolarHBondContact O-N 3.39Å; R469-F471 VanDerWaalsContact C-N 3.34Å; R469-F471 PolarHBondContact O-N 2.95Å; F471-K475 HydrophobicContact CD1-CD 4.09Å; F471-K475 HydrophobicContact CD2-CD 4.47Å; F471-K475 HydrophobicContact CE1-CD 3.55Å; F471-K475 HydrophobicContact CE2-CB 4.22Å; F471-K475 HydrophobicContact CE2-CD 3.99Å; F471-K475 HydrophobicContact CZ-CB 4.36Å; F471-K475 HydrophobicContact CZ-CD 3.51Å; F471-K475 HydrophobicContact CZ-CG 4.49Å; F471-K475 WeakPolarHBondContact O-CD 3.28Å; F471-K475 WeakPolarHBondContact O-CE 3.45Å; F471-K475 PolarHBondContact O-NZ 3.46Å; F471-W499 HydrophobicContact CB-CH2 3.98Å; F471-W499 HydrophobicContact CB-CZ3 3.83Å; F471-W499 HydrophobicContact CD2-CZ3 4.21Å; F471-W499 HydrophobicContact CG-CH2 4.38Å; F471-W499 HydrophobicContact CG-CZ3 4.13Å; F471-F500 HydrophobicContact CB-CE1 4.19Å; F471-F500 HydrophobicContact CB-CZ 4.23Å; F471-F500 AromaticContact CD2-CD1 3.66Å; F471-F500 HydrophobicContact CD2-CD1 3.66Å; F471-F500 AromaticContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CG 4.41Å; F471-F500 HydrophobicContact CD2-CZ 4.41Å; F471-F500 HydrophobicContact CE2-CD1 4.24Å; F471-F500 HydrophobicContact CG-CE1 4.45Å; F471-H503 AromaticContact CD1-CD2 3.36Å; F471-H503 WeakPolarHBondContact CD1-CD2 3.23Å; F471-H503 AromaticContact CD1-CG 3.86Å; F471-H503 AromaticContact CD1-NE2 3.52Å; F471-H503 HydrophobicContact CD2-CB 4.4Å; F471-H503 HydrophobicContact CE1-CB 4.47Å; F471-H503 AromaticContact CE1-CD2 3.09Å; F471-H503 WeakPolarHBondContact CE1-CD2 3.01Å; F471-H503 AromaticContact CE1-CG 3.87Å; F471-H503 AromaticContact CE1-NE2 3.59Å; F471-H503 HydrophobicContact CE2-CB 4.25Å; F471-H503 HydrophobicContact CZ-CB 4.27Å; F471-H503 AromaticContact CZ-CD2 3.64Å; F471-R504 HydrophobicContact CE2-CG 3.76Å; F471-R504 HydrophobicContact CZ-CG 3.84Å
472K96.8Very high97.4Very high161 Ų16172.7 Ų72.770%0.735%0.353SS*.Hα-helixtrans-61.1-48172.1-77.8175.2-179.1-176.60110.1E468 R469 K475E468-K472 WeakPolarHBondContact O-CG 3.44Å; E468-K472 PolarHBondContact O-N 3.05Å; R469-K472 PolarHBondContact O-N 3.26Å; K472-K475 PolarHBondContact O-NZ 3.38Å
473Q96.6Very high97.5Very high128 Ų12874.4 Ų74.460%0.59835%0.349SS*.Hα-helixtrans-63.7-43.2176.4-64.9170.8-15.400113.5R469 R470R469-Q473 PolarHBondContact O-N 3.24Å; R470-Q473 PolarHBondContact O-N 3.33Å
474Q96.6Very high97.5Very high46 Ų4678.7 Ų78.722%0.21537%0.369CS..  trans-149.9112.2-165.4-172.7-176.113.500111.3R470 Y476 L477 E481 F500R470-Q474 PolarHBondContact O-N 3.25Å; Q474-Y476 VanDerWaalsContact C-N 3.29Å; Q474-Y476 WeakPolarHBondContact CG-O 3.43Å; Q474-Y476 PolarHBondContact NE2-O 2.95Å; Q474-Y476 VanDerWaalsContact NE2-O 3.15Å; Q474-Y476 PolarHBondContact O-N 3.11Å; Q474-L477 HydrophobicContact CB-CD2 4.48Å; Q474-L477 HydrophobicContact CG-CD2 4.25Å; Q474-E481 VanDerWaalsContact CD-OE1 3.28Å; Q474-E481 PolarHBondContact NE2-OE1 2.87Å; Q474-E481 PolarHBondContact NE2-OE2 3.48Å; Q474-E481 PolarHBondContact OE1-OE1 3.06Å; Q474-F500 WeakPolarHBondContact O-CE1 3.27Å
475K96.7Very high97.5Very high93 Ų9377.7 Ų77.740%0.40436%0.363SS..SBendtrans-73.5-17.3-176.5-51-62.1166.3-157.50114.1F471 K472 R504F471-K475 HydrophobicContact CD1-CD 4.09Å; F471-K475 HydrophobicContact CD2-CD 4.47Å; F471-K475 HydrophobicContact CE1-CD 3.55Å; F471-K475 HydrophobicContact CE2-CB 4.22Å; F471-K475 HydrophobicContact CE2-CD 3.99Å; F471-K475 HydrophobicContact CZ-CB 4.36Å; F471-K475 HydrophobicContact CZ-CD 3.51Å; F471-K475 HydrophobicContact CZ-CG 4.49Å; F471-K475 WeakPolarHBondContact O-CD 3.28Å; F471-K475 WeakPolarHBondContact O-CE 3.45Å; F471-K475 PolarHBondContact O-NZ 3.46Å; K472-K475 PolarHBondContact O-NZ 3.38Å; K475-R504 WeakPolarHBondContact O-CD 3.31Å
476Y97.9Very high97.5Very high162 Ų16271.1 Ų71.164%0.63534%0.337SS*.SBendtrans-137.7110.8-175.4-63.1-104.2000110Q474Q474-Y476 VanDerWaalsContact C-N 3.29Å; Q474-Y476 WeakPolarHBondContact CG-O 3.43Å; Q474-Y476 PolarHBondContact NE2-O 2.95Å; Q474-Y476 VanDerWaalsContact NE2-O 3.15Å; Q474-Y476 PolarHBondContact O-N 3.11Å
477L97Very high97.4Very high18 Ų1874.8 Ų74.89%0.09435%0.354CS..  trans-85135.5174.7-58-177.2000111.7R470 Q474 E481 R482 L485 V496 F500R470-L477 HydrophobicContact CG-CD2 3.85Å; Q474-L477 HydrophobicContact CB-CD2 4.48Å; Q474-L477 HydrophobicContact CG-CD2 4.25Å; L477-E481 HydrophobicContact CB-CB 4.45Å; L477-E481 HydrophobicContact CD2-CB 4.36Å; L477-R482 HydrophobicContact CB-CB 4.1Å; L477-R482 HydrophobicContact CD1-CB 4.19Å; L477-R482 PolarHBondContact O-NH2 3.13Å; L477-L485 HydrophobicContact CD1-CD2 3.72Å; L477-V496 HydrophobicContact CD1-CG1 3.84Å; L477-F500 HydrophobicContact CD1-CD1 4.33Å; L477-F500 HydrophobicContact CD1-CD2 4.13Å; L477-F500 HydrophobicContact CD1-CE1 3.91Å; L477-F500 HydrophobicContact CD1-CE2 3.72Å; L477-F500 HydrophobicContact CD1-CG 4.45Å; L477-F500 HydrophobicContact CD1-CZ 3.61Å; L477-F500 HydrophobicContact CD2-CE1 3.96Å; L477-F500 HydrophobicContact CD2-CZ 4.13Å; L477-F500 HydrophobicContact CG-CD1 3.95Å; L477-F500 HydrophobicContact CG-CE1 3.58Å; L477-F500 HydrophobicContact CG-CE2 4.32Å; L477-F500 HydrophobicContact CG-CG 4.48Å; L477-F500 HydrophobicContact CG-CZ 3.81Å
478S97.4Very high97.4Very high54 Ų5479.9 Ų79.938%0.37838%0.381SS..  trans-62.7-178.316468.20000111.9E481 R482S478-E481 WeakPolarHBondContact CB-OE2 3.2Å; S478-E481 PolarHBondContact N-OE2 3.15Å; S478-E481 VanDerWaalsContact OG-CD 3.27Å; S478-E481 VanDerWaalsContact OG-CG 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.49Å; S478-E481 PolarHBondContact OG-OE2 3.45Å; S478-R482 VanDerWaalsContact O-CB 3.23Å; S478-R482 WeakPolarHBondContact O-CB 3.39Å; S478-R482 PolarHBondContact O-N 3.39Å; S478-R482 PolarHBondContact O-NH2 2.99Å
479A96.8Very high97.3Very high62 Ų6276.9 Ų76.951%0.51237%0.367SS..Hα-helixtrans-69.1-50.6175.700000112.8E481 R482 E483A479-E481 PolarHBondContact O-N 3.38Å; A479-R482 WeakPolarHBondContact O-CB 3.4Å; A479-R482 PolarHBondContact O-N 3.33Å; A479-E483 PolarHBondContact O-N 3.2Å; A479-E483 VanDerWaalsContact O-N 3.1Å
480P97.4Very high97.3Very high94 Ų9477 Ų7761%0.6138%0.377SS*.Hα-helixtrans-64.5-40.8-178.8-23.435.5000113.6R482 E483 H484P480-R482 VanDerWaalsContact C-N 3.28Å; P480-R482 PolarHBondContact O-N 3.19Å; P480-E483 PolarHBondContact O-N 3.3Å; P480-H484 PolarHBondContact O-N 3.47Å
481E97.5Very high97.2Very high53 Ų5374.5 Ų74.525%0.24837%0.369CS..Hα-helixtrans-64.7-34.6179.3-64.3168.811200112.5R470 Q474 L477 S478 A479 L485R470-E481 IonicContact NH2-OE1 2.67Å; R470-E481 PolarHBondContact NH2-OE1 3.48Å; Q474-E481 VanDerWaalsContact CD-OE1 3.28Å; Q474-E481 PolarHBondContact NE2-OE1 2.87Å; Q474-E481 PolarHBondContact NE2-OE2 3.48Å; Q474-E481 PolarHBondContact OE1-OE1 3.06Å; L477-E481 HydrophobicContact CB-CB 4.45Å; L477-E481 HydrophobicContact CD2-CB 4.36Å; S478-E481 WeakPolarHBondContact CB-OE2 3.2Å; S478-E481 PolarHBondContact N-OE2 3.15Å; S478-E481 VanDerWaalsContact OG-CD 3.27Å; S478-E481 VanDerWaalsContact OG-CG 3.27Å; S478-E481 WeakPolarHBondContact OG-CG 3.49Å; S478-E481 PolarHBondContact OG-OE2 3.45Å; A479-E481 PolarHBondContact O-N 3.38Å; E481-L485 VanDerWaalsContact O-CB 3.28Å; E481-L485 WeakPolarHBondContact O-CB 3.36Å; E481-L485 PolarHBondContact O-N 2.87Å
482R97.9Very high97.2Very high62 Ų6277.5 Ų77.523%0.23439%0.388CS..Hα-helixtrans-69.6-37.8175.8-174.7-167.6-49.8133.112.8111.4L477 S478 A479 P480 S486 P493 V496L477-R482 HydrophobicContact CB-CB 4.1Å; L477-R482 HydrophobicContact CD1-CB 4.19Å; L477-R482 PolarHBondContact O-NH2 3.13Å; S478-R482 VanDerWaalsContact O-CB 3.23Å; S478-R482 WeakPolarHBondContact O-CB 3.39Å; S478-R482 PolarHBondContact O-N 3.39Å; S478-R482 PolarHBondContact O-NH2 2.99Å; A479-R482 WeakPolarHBondContact O-CB 3.4Å; A479-R482 PolarHBondContact O-N 3.33Å; P480-R482 VanDerWaalsContact C-N 3.28Å; P480-R482 PolarHBondContact O-N 3.19Å; R482-S486 WeakPolarHBondContact O-CB 3.27Å; R482-S486 PolarHBondContact O-N 2.95Å; R482-S486 PolarHBondContact O-OG 2.91Å; R482-P493 VanDerWaalsContact CD-O 3.32Å; R482-P493 WeakPolarHBondContact CD-O 3.47Å; R482-P493 HydrophobicContact CG-CB 4.37Å; R482-V496 HydrophobicContact CG-CB 4Å; R482-V496 HydrophobicContact CG-CG1 3.83Å
483E97.9Very high97.3Very high106 Ų10672.4 Ų72.450%0.49537%0.371SS..Hα-helixtrans-66.8-52175.6-178.2159.4-158.900111.1A479 P480 L485 S486 Q487A479-E483 PolarHBondContact O-N 3.2Å; A479-E483 VanDerWaalsContact O-N 3.1Å; P480-E483 PolarHBondContact O-N 3.3Å; E483-L485 PolarHBondContact O-N 3.27Å; E483-S486 WeakPolarHBondContact CA-OG 3.41Å; E483-S486 WeakPolarHBondContact O-CB 3.4Å; E483-S486 PolarHBondContact O-N 3.47Å; E483-S486 PolarHBondContact O-OG 3.08Å; E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 3.45Å
484H97.7Very high97.3Very high122 Ų12270.5 Ų70.557%0.56537%0.369SS*.Hα-helixtrans-56.2-48174.8177.8-159.6000112.2P480 S486 Q487 L488P480-H484 PolarHBondContact O-N 3.47Å; H484-S486 VanDerWaalsContact C-N 3.29Å; H484-S486 PolarHBondContact O-N 3.11Å; H484-Q487 PolarHBondContact O-N 3.45Å; H484-L488 PolarHBondContact O-N 3.47Å
485L97.9Very high97.3Very high11 Ų1171.1 Ų71.16%0.05837%0.371CS..Hα-helixtrans-60.6-40.4175.7-177.765000111.7L467 R470 L477 E481 E483 Q487 L488 I489 V496 F500L467-L485 HydrophobicContact CD2-CD2 4.14Å; R470-L485 HydrophobicContact CB-CD1 4.38Å; R470-L485 HydrophobicContact CB-CD2 4.07Å; R470-L485 HydrophobicContact CG-CD2 4.06Å; L477-L485 HydrophobicContact CD1-CD2 3.72Å; E481-L485 VanDerWaalsContact O-CB 3.28Å; E481-L485 WeakPolarHBondContact O-CB 3.36Å; E481-L485 PolarHBondContact O-N 2.87Å; E483-L485 PolarHBondContact O-N 3.27Å; L485-Q487 PolarHBondContact O-N 3.35Å; L485-L488 PolarHBondContact O-N 3.39Å; L485-I489 HydrophobicContact CD1-CG2 4.12Å; L485-I489 HydrophobicContact CG-CD1 4.23Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.31Å; L485-I489 VanDerWaalsContact O-N 3.11Å; L485-V496 HydrophobicContact CD2-CG1 3.92Å; L485-F500 HydrophobicContact CD2-CE2 3.85Å; L485-F500 HydrophobicContact CD2-CZ 4.16Å
486S97.6Very high97.4Very high4 Ų466.7 Ų66.73%0.02835%0.352CS..Hα-helixtrans-65.2-38.4-179.277.50000112.7R482 E483 H484 N490 L491 P493R482-S486 WeakPolarHBondContact O-CB 3.27Å; R482-S486 PolarHBondContact O-N 2.95Å; R482-S486 PolarHBondContact O-OG 2.91Å; E483-S486 WeakPolarHBondContact CA-OG 3.41Å; E483-S486 WeakPolarHBondContact O-CB 3.4Å; E483-S486 PolarHBondContact O-N 3.47Å; E483-S486 PolarHBondContact O-OG 3.08Å; H484-S486 VanDerWaalsContact C-N 3.29Å; H484-S486 PolarHBondContact O-N 3.11Å; S486-N490 PolarHBondContact O-N 3.5Å; S486-N490 VanDerWaalsContact O-N 3.09Å; S486-L491 CarbonylContact C-O 3.47Å; S486-L491 WeakPolarHBondContact CB-O 3.35Å; S486-L491 PolarHBondContact O-N 2.92Å; S486-P493 WeakPolarHBondContact OG-CD 3.49Å; S486-P493 WeakPolarHBondContact OG-CG 3.39Å
487Q97.4Very high97.4Very high119 Ų11964.4 Ų64.456%0.55635%0.345SS*.Hα-helixtrans-63.5-50.1172.2-67.3169.12.600110.7E483 H484 L485 I489 N490E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 3.45Å; H484-Q487 PolarHBondContact O-N 3.45Å; L485-Q487 PolarHBondContact O-N 3.35Å; Q487-I489 VanDerWaalsContact C-N 3.29Å; Q487-I489 PolarHBondContact O-N 3.28Å; Q487-N490 PolarHBondContact O-N 3.27Å
488L96.9Very high97.4Very high108 Ų10867.7 Ų67.757%0.56536%0.362SS*.Hα-helixtrans-56.1-39.9-178.8-179.563.4000113.3H484 L485H484-L488 PolarHBondContact O-N 3.47Å; L485-L488 PolarHBondContact O-N 3.39Å
489I96.9Very high97.4Very high13 Ų1366.5 Ų66.57%0.06735%0.35CS..THydrogen-bonded Turntrans-101.77.1-176.175.1-173.8000113.8Q463 E466 L467 L485 Q487 L491 V496Q463-I489 HydrophobicContact CG-CB 4.33Å; Q463-I489 WeakPolarHBondContact CG-O 3.34Å; Q463-I489 PolarHBondContact NE2-O 3.24Å; E466-I489 HydrophobicContact CB-CG2 3.71Å; E466-I489 HydrophobicContact CG-CG2 4.36Å; L467-I489 HydrophobicContact CD1-CD1 4.13Å; L467-I489 HydrophobicContact CD2-CD1 3.58Å; L467-I489 HydrophobicContact CG-CD1 3.62Å; L485-I489 HydrophobicContact CD1-CG2 4.12Å; L485-I489 HydrophobicContact CG-CD1 4.23Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.31Å; L485-I489 VanDerWaalsContact O-N 3.11Å; Q487-I489 VanDerWaalsContact C-N 3.29Å; Q487-I489 PolarHBondContact O-N 3.28Å; I489-L491 HydrophobicContact CD1-CB 4.41Å; I489-L491 HydrophobicContact CD1-CD1 3.78Å; I489-L491 HydrophobicContact CD1-CG 4.24Å; I489-L491 HydrophobicContact CG1-CB 4.05Å; I489-L491 HydrophobicContact CG1-CD1 4.06Å; I489-L491 HydrophobicContact CG1-CG 3.95Å; I489-L491 PolarHBondContact O-N 3.48Å; I489-V496 HydrophobicContact CD1-CG2 4.22Å
490N97.1Very high97.5Very high121 Ų12163.9 Ų63.965%0.64733%0.327SS*.THydrogen-bonded Turntrans52.549.9-177-66.4-76.4000113.7S486 Q487S486-N490 PolarHBondContact O-N 3.5Å; S486-N490 VanDerWaalsContact O-N 3.09Å; Q487-N490 PolarHBondContact O-N 3.27Å
491L96.4Very high97.5Very high23 Ų2364.6 Ų64.612%0.1232%0.322CS..  trans-123166.3170.3-68-177.3000110.4F459 L467 S486 I489 Q495 V496F459-L491 HydrophobicContact CD1-CD1 3.63Å; F459-L491 HydrophobicContact CD1-CD2 3.66Å; F459-L491 HydrophobicContact CD1-CG 4.33Å; F459-L491 HydrophobicContact CE1-CD1 3.65Å; F459-L491 HydrophobicContact CE1-CD2 3.69Å; F459-L491 HydrophobicContact CE1-CG 4.34Å; F459-L491 HydrophobicContact CG-CD1 4.32Å; F459-L491 HydrophobicContact CZ-CD1 4.36Å; L467-L491 HydrophobicContact CD1-CD1 4.1Å; S486-L491 CarbonylContact C-O 3.47Å; S486-L491 WeakPolarHBondContact CB-O 3.35Å; S486-L491 PolarHBondContact O-N 2.92Å; I489-L491 HydrophobicContact CD1-CB 4.41Å; I489-L491 HydrophobicContact CD1-CD1 3.78Å; I489-L491 HydrophobicContact CD1-CG 4.24Å; I489-L491 HydrophobicContact CG1-CB 4.05Å; I489-L491 HydrophobicContact CG1-CD1 4.06Å; I489-L491 HydrophobicContact CG1-CG 3.95Å; I489-L491 PolarHBondContact O-N 3.48Å; L491-Q495 HydrophobicContact CB-CB 4.32Å; L491-V496 HydrophobicContact CB-CG2 4.35Å
492T97.4Very high97.5Very high67 Ų6766.7 Ų66.741%0.41134%0.335SS..  trans-77.6150.3170.360.40000111.4T494 Q495 V496T492-T494 PolarHBondContact O-N 2.96Å; T492-T494 VanDerWaalsContact O-N 3.08Å; T492-Q495 PolarHBondContact O-N 3.34Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.49Å; T492-Q495 PolarHBondContact OG1-N 3.13Å; T492-Q495 VanDerWaalsContact OG1-N 3.13Å; T492-Q495 PolarHBondContact OG1-OE1 3.36Å; T492-V496 PolarHBondContact O-N 2.99Å; T492-V496 VanDerWaalsContact O-N 3.09Å
493P98Very high97.5Very high54 Ų5465.6 Ų65.635%0.35133%0.332SS..Hα-helixtrans-52.8-31.8171.3-25.831.5000113R482 S486 V496 K497R482-P493 VanDerWaalsContact CD-O 3.32Å; R482-P493 WeakPolarHBondContact CD-O 3.47Å; R482-P493 HydrophobicContact CG-CB 4.37Å; S486-P493 WeakPolarHBondContact OG-CD 3.49Å; S486-P493 WeakPolarHBondContact OG-CG 3.39Å; P493-V496 PolarHBondContact O-N 3.32Å; P493-K497 WeakPolarHBondContact O-CB 3.47Å; P493-K497 PolarHBondContact O-N 2.79Å
494T97.5Very high97.5Very high89 Ų8964.3 Ų64.355%0.54632%0.323SS..Hα-helixtrans-69.1-41176-57.70000112.7T492 K497 I498T492-T494 PolarHBondContact O-N 2.96Å; T492-T494 VanDerWaalsContact O-N 3.08Å; T494-K497 PolarHBondContact O-N 2.93Å; T494-I498 HydrophobicContact CG2-CD1 3.96Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.4Å; T494-I498 PolarHBondContact O-N 3.46Å
495Q97.1Very high97.4Very high58 Ų5864.4 Ų64.427%0.27132%0.319SS..Hα-helixtrans-63.2-43.2172.8-77.9160.4-61.200111.3F459 L491 T492 I498 W499F459-Q495 HydrophobicContact CE1-CB 4.22Å; F459-Q495 HydrophobicContact CE1-CG 4.28Å; F459-Q495 HydrophobicContact CZ-CB 4.16Å; F459-Q495 HydrophobicContact CZ-CG 4.36Å; L491-Q495 HydrophobicContact CB-CB 4.32Å; T492-Q495 PolarHBondContact O-N 3.34Å; T492-Q495 WeakPolarHBondContact OG1-CG 3.49Å; T492-Q495 PolarHBondContact OG1-N 3.13Å; T492-Q495 VanDerWaalsContact OG1-N 3.13Å; T492-Q495 PolarHBondContact OG1-OE1 3.36Å; Q495-I498 PolarHBondContact O-N 3.09Å; Q495-W499 WeakPolarHBondContact O-CB 3.32Å; Q495-W499 PolarHBondContact O-N 2.85Å
496V97.9Very high97.3Very high0 Ų070.9 Ų70.90%035%0.346CS..Hα-helixtrans-60.3-46.8174.2-179.40000110.7L467 L477 R482 L485 I489 L491 T492 P493 I498 W499 F500L467-V496 HydrophobicContact CD2-CG1 4.18Å; L467-V496 HydrophobicContact CD2-CG2 4.35Å; L477-V496 HydrophobicContact CD1-CG1 3.84Å; R482-V496 HydrophobicContact CG-CB 4Å; R482-V496 HydrophobicContact CG-CG1 3.83Å; L485-V496 HydrophobicContact CD2-CG1 3.92Å; I489-V496 HydrophobicContact CD1-CG2 4.22Å; L491-V496 HydrophobicContact CB-CG2 4.35Å; T492-V496 PolarHBondContact O-N 2.99Å; T492-V496 VanDerWaalsContact O-N 3.09Å; P493-V496 PolarHBondContact O-N 3.32Å; V496-I498 PolarHBondContact O-N 3.08Å; V496-W499 PolarHBondContact O-N 3.49Å; V496-F500 HydrophobicContact CG1-CD2 3.77Å; V496-F500 HydrophobicContact CG1-CE2 3.93Å; V496-F500 WeakPolarHBondContact O-CB 3.4Å; V496-F500 WeakPolarHBondContact O-CD2 3.49Å; V496-F500 PolarHBondContact O-N 3.09Å
497K97.7Very high97.1Very high114 Ų11473 Ų7350%0.49636%0.361SS..Hα-helixtrans-55.4-47.8176.2-173.6-179.8176.6-177.60112.2P493 T494 Q501P493-K497 WeakPolarHBondContact O-CB 3.47Å; P493-K497 PolarHBondContact O-N 2.79Å; T494-K497 PolarHBondContact O-N 2.93Å; K497-Q501 WeakPolarHBondContact O-CB 3.5Å; K497-Q501 PolarHBondContact O-N 3.23Å
498I97.3Very high97Very high87 Ų8774.1 Ų74.145%0.44636%0.364SS..Hα-helixtrans-66.6-43.9-179.8-69.8166.9000110.7T494 Q495 V496 Q501 N502T494-I498 HydrophobicContact CG2-CD1 3.96Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.4Å; T494-I498 PolarHBondContact O-N 3.46Å; Q495-I498 PolarHBondContact O-N 3.09Å; V496-I498 PolarHBondContact O-N 3.08Å; I498-Q501 WeakPolarHBondContact O-CB 3.17Å; I498-Q501 PolarHBondContact O-N 2.88Å; I498-N502 WeakPolarHBondContact O-CB 3.31Å; I498-N502 VanDerWaalsContact O-CG 3.25Å; I498-N502 PolarHBondContact O-N 3.08Å
499W97.8Very high96.8Very high30 Ų3075.4 Ų75.411%0.11436%0.361CS..Hα-helixtrans-62.2-46.1177.4-173.3102.8000111.2F459 L467 E468 F471 Q495 V496 Q501 N502 H503F459-W499 AromaticContact CD2-CD1 3.93Å; F459-W499 HydrophobicContact CE2-CB 4.49Å; F459-W499 AromaticContact CE2-CD1 3.79Å; L467-W499 VanDerWaalsContact C-CH2 3.43Å; L467-W499 HydrophobicContact CB-CD2 3.85Å; L467-W499 HydrophobicContact CB-CE3 3.87Å; L467-W499 HydrophobicContact CB-CH2 3.71Å; L467-W499 HydrophobicContact CB-CZ2 3.67Å; L467-W499 HydrophobicContact CB-CZ3 3.82Å; L467-W499 HydrophobicContact CD1-CB 4.47Å; L467-W499 HydrophobicContact CD1-CD2 3.93Å; L467-W499 HydrophobicContact CD1-CG 3.83Å; L467-W499 HydrophobicContact CD2-CD2 4.19Å; L467-W499 HydrophobicContact CD2-CE3 4.07Å; L467-W499 HydrophobicContact CD2-CG 4.46Å; L467-W499 HydrophobicContact CG-CD2 4.21Å; L467-W499 HydrophobicContact CG-CE3 4.39Å; L467-W499 WeakPolarHBondContact O-CH2 3.23Å; L467-W499 WeakPolarHBondContact O-CZ3 3.47Å; E468-W499 HydrophobicContact CB-CH2 4.41Å; E468-W499 HydrophobicContact CG-CH2 3.7Å; E468-W499 HydrophobicContact CG-CZ2 3.57Å; F471-W499 HydrophobicContact CB-CH2 3.98Å; F471-W499 HydrophobicContact CB-CZ3 3.83Å; F471-W499 HydrophobicContact CD2-CZ3 4.21Å; F471-W499 HydrophobicContact CG-CH2 4.38Å; F471-W499 HydrophobicContact CG-CZ3 4.13Å; Q495-W499 WeakPolarHBondContact O-CB 3.32Å; Q495-W499 PolarHBondContact O-N 2.85Å; V496-W499 PolarHBondContact O-N 3.49Å; W499-Q501 VanDerWaalsContact C-N 3.25Å; W499-Q501 PolarHBondContact O-N 3.46Å; W499-N502 PolarHBondContact O-N 3.35Å; W499-H503 HydrophobicContact CE3-CB 4.19Å; W499-H503 HydrophobicContact CH2-CB 4.06Å; W499-H503 AromaticContact CH2-CE1 3.81Å; W499-H503 AromaticContact CH2-CG 3.74Å; W499-H503 AromaticContact CH2-ND1 3.01Å; W499-H503 WeakPolarHBondContact CH2-ND1 3.35Å; W499-H503 HydrophobicContact CZ2-CB 4.48Å; W499-H503 AromaticContact CZ2-ND1 3.23Å; W499-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; W499-H503 HydrophobicContact CZ3-CB 3.9Å; W499-H503 AromaticContact CZ3-ND1 3.76Å; W499-H503 WeakPolarHBondContact O-CB 3.15Å; W499-H503 PolarHBondContact O-N 3.47Å
500F98.3Very high96.4Very high7 Ų777.3 Ų77.33%0.03138%0.379CS..Hα-helixtrans-64.6-27176.2-90.5-106.3000113L467 R470 F471 Q474 L477 L485 V496 R504L467-F500 HydrophobicContact CD2-CD2 4.33Å; L467-F500 HydrophobicContact CD2-CE2 3.88Å; R470-F500 HydrophobicContact CB-CZ 4.28Å; R470-F500 HydrophobicContact CG-CZ 4.24Å; F471-F500 HydrophobicContact CB-CE1 4.19Å; F471-F500 HydrophobicContact CB-CZ 4.23Å; F471-F500 AromaticContact CD2-CD1 3.66Å; F471-F500 HydrophobicContact CD2-CD1 3.66Å; F471-F500 AromaticContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CE1 3.67Å; F471-F500 HydrophobicContact CD2-CG 4.41Å; F471-F500 HydrophobicContact CD2-CZ 4.41Å; F471-F500 HydrophobicContact CE2-CD1 4.24Å; F471-F500 HydrophobicContact CG-CE1 4.45Å; Q474-F500 WeakPolarHBondContact O-CE1 3.27Å; L477-F500 HydrophobicContact CD1-CD1 4.33Å; L477-F500 HydrophobicContact CD1-CD2 4.13Å; L477-F500 HydrophobicContact CD1-CE1 3.91Å; L477-F500 HydrophobicContact CD1-CE2 3.72Å; L477-F500 HydrophobicContact CD1-CG 4.45Å; L477-F500 HydrophobicContact CD1-CZ 3.61Å; L477-F500 HydrophobicContact CD2-CE1 3.96Å; L477-F500 HydrophobicContact CD2-CZ 4.13Å; L477-F500 HydrophobicContact CG-CD1 3.95Å; L477-F500 HydrophobicContact CG-CE1 3.58Å; L477-F500 HydrophobicContact CG-CE2 4.32Å; L477-F500 HydrophobicContact CG-CG 4.48Å; L477-F500 HydrophobicContact CG-CZ 3.81Å; L485-F500 HydrophobicContact CD2-CE2 3.85Å; L485-F500 HydrophobicContact CD2-CZ 4.16Å; V496-F500 HydrophobicContact CG1-CD2 3.77Å; V496-F500 HydrophobicContact CG1-CE2 3.93Å; V496-F500 WeakPolarHBondContact O-CB 3.4Å; V496-F500 WeakPolarHBondContact O-CD2 3.49Å; V496-F500 PolarHBondContact O-N 3.09Å; F500-R504 WeakPolarHBondContact O-CG 3.49Å; F500-R504 PolarHBondContact O-N 2.73Å; F500-R504 PolarHBondContact O-NE 3.4Å
501Q97.6Very high96Very high108 Ų10877.3 Ų77.351%0.50538%0.375SS..Hα-helixtrans-74.1-46.4172.2-175.8170.7-400111.6K497 I498 W499 R504 Y505K497-Q501 WeakPolarHBondContact O-CB 3.5Å; K497-Q501 PolarHBondContact O-N 3.23Å; I498-Q501 WeakPolarHBondContact O-CB 3.17Å; I498-Q501 PolarHBondContact O-N 2.88Å; W499-Q501 VanDerWaalsContact C-N 3.25Å; W499-Q501 PolarHBondContact O-N 3.46Å; Q501-R504 PolarHBondContact O-N 3.02Å; Q501-Y505 WeakPolarHBondContact O-CB 3.43Å; Q501-Y505 PolarHBondContact O-N 3.29Å
502N97.8Very high95.5Very high98 Ų9882.7 Ų82.752%0.52440%0.397SS..Hα-helixtrans-64.4-39.6177.7-68.3-12.5000111.9I498 W499 Y505 K506I498-N502 WeakPolarHBondContact O-CB 3.31Å; I498-N502 VanDerWaalsContact O-CG 3.25Å; I498-N502 PolarHBondContact O-N 3.08Å; W499-N502 PolarHBondContact O-N 3.35Å; N502-Y505 WeakPolarHBondContact O-CB 3.48Å; N502-Y505 PolarHBondContact O-N 2.8Å; N502-K506 PolarHBondContact O-N 3.46Å
503H97.3Very high94.8Very high38 Ų3883.6 Ų83.618%0.17640%0.4CS..Hα-helixtrans-66.6-46178.6-156.4120.1000111.4E468 F471 W499 Y505 K506 C507E468-H503 IonicContact OE1-CE1 3.03Å; F471-H503 AromaticContact CD1-CD2 3.36Å; F471-H503 WeakPolarHBondContact CD1-CD2 3.23Å; F471-H503 AromaticContact CD1-CG 3.86Å; F471-H503 AromaticContact CD1-NE2 3.52Å; F471-H503 HydrophobicContact CD2-CB 4.4Å; F471-H503 HydrophobicContact CE1-CB 4.47Å; F471-H503 AromaticContact CE1-CD2 3.09Å; F471-H503 WeakPolarHBondContact CE1-CD2 3.01Å; F471-H503 AromaticContact CE1-CG 3.87Å; F471-H503 AromaticContact CE1-NE2 3.59Å; F471-H503 HydrophobicContact CE2-CB 4.25Å; F471-H503 HydrophobicContact CZ-CB 4.27Å; F471-H503 AromaticContact CZ-CD2 3.64Å; W499-H503 HydrophobicContact CE3-CB 4.19Å; W499-H503 HydrophobicContact CH2-CB 4.06Å; W499-H503 AromaticContact CH2-CE1 3.81Å; W499-H503 AromaticContact CH2-CG 3.74Å; W499-H503 AromaticContact CH2-ND1 3.01Å; W499-H503 WeakPolarHBondContact CH2-ND1 3.35Å; W499-H503 HydrophobicContact CZ2-CB 4.48Å; W499-H503 AromaticContact CZ2-ND1 3.23Å; W499-H503 WeakPolarHBondContact CZ2-ND1 3.42Å; W499-H503 HydrophobicContact CZ3-CB 3.9Å; W499-H503 AromaticContact CZ3-ND1 3.76Å; W499-H503 WeakPolarHBondContact O-CB 3.15Å; W499-H503 PolarHBondContact O-N 3.47Å; H503-Y505 VanDerWaalsContact C-N 3.26Å; H503-Y505 PolarHBondContact O-N 2.85Å; H503-K506 WeakPolarHBondContact O-CB 3.18Å; H503-K506 PolarHBondContact O-N 3.43Å; H503-K506 VanDerWaalsContact O-N 3.14Å; H503-C507 PolarHBondContact O-N 3.26Å; H503-C507 PolarHBondContact O-SG 3.5Å; H503-C507 VanDerWaalsContact O-SG 3.41Å
504R97.3Very high94Very high79 Ų7988.5 Ų88.530%0.29842%0.415SS..Hα-helixtrans-56.8-39.5171.3-77.2177.5-70.3154.61.7112.4F471 K475 F500 Q501 C507 K508F471-R504 HydrophobicContact CE2-CG 3.76Å; F471-R504 HydrophobicContact CZ-CG 3.84Å; K475-R504 WeakPolarHBondContact O-CD 3.31Å; F500-R504 WeakPolarHBondContact O-CG 3.49Å; F500-R504 PolarHBondContact O-N 2.73Å; F500-R504 PolarHBondContact O-NE 3.4Å; Q501-R504 PolarHBondContact O-N 3.02Å; R504-C507 PolarHBondContact O-N 2.96Å; R504-K508 PolarHBondContact O-N 2.84Å
505Y97.1Very high93Very high125 Ų12589.9 Ų89.949%0.4942%0.416SS..Hα-helixtrans-66.6-39.3177.1-172.2-105.2000112.3Q501 N502 H503 K508 R509Q501-Y505 WeakPolarHBondContact O-CB 3.43Å; Q501-Y505 PolarHBondContact O-N 3.29Å; N502-Y505 WeakPolarHBondContact O-CB 3.48Å; N502-Y505 PolarHBondContact O-N 2.8Å; H503-Y505 VanDerWaalsContact C-N 3.26Å; H503-Y505 PolarHBondContact O-N 2.85Å; Y505-K508 PolarHBondContact O-N 3.24Å; Y505-R509 HydrophobicContact CE1-CG 4.44Å; Y505-R509 PolarHBondContact O-N 3.38Å; Y505-R509 PolarHBondContact OH-NE 3.3Å; Y505-R509 PolarHBondContact OH-NH2 3.24Å
506K95.6Very high91.9Very high146 Ų14690.2 Ų90.264%0.63543%0.425SS*.Hα-helixtrans-62.1-47.2172.7-170.5-176.1178.1-171.60111.6N502 H503 K508 R509 A510N502-K506 PolarHBondContact O-N 3.46Å; H503-K506 WeakPolarHBondContact O-CB 3.18Å; H503-K506 PolarHBondContact O-N 3.43Å; H503-K506 VanDerWaalsContact O-N 3.14Å; K506-K508 PolarHBondContact O-N 3.16Å; K506-R509 PolarHBondContact O-N 3.46Å; K506-A510 PolarHBondContact O-N 2.93Å
507C93.5Very high90.5Very high50 Ų5092.9 Ų92.934%0.33844%0.443SS..Hα-helixtrans-58.6-46.5176.1-65.10000112.2H503 R504 R509 A510 Q511H503-C507 PolarHBondContact O-N 3.26Å; H503-C507 PolarHBondContact O-SG 3.5Å; H503-C507 VanDerWaalsContact O-SG 3.41Å; R504-C507 PolarHBondContact O-N 2.96Å; C507-R509 VanDerWaalsContact C-N 3.32Å; C507-R509 PolarHBondContact O-N 2.92Å; C507-A510 PolarHBondContact O-N 2.96Å; C507-Q511 WeakPolarHBondContact O-CG 3.41Å; C507-Q511 PolarHBondContact O-N 3.26Å
508K94.1Very high88.9Confident141 Ų14191 Ų9161%0.61344%0.444SS*.Hα-helixtrans-66.6-31.8-179.3-166.2175.771.6166.30113R504 Y505 K506 K512R504-K508 PolarHBondContact O-N 2.84Å; Y505-K508 PolarHBondContact O-N 3.24Å; K506-K508 PolarHBondContact O-N 3.16Å; K508-K512 PolarHBondContact O-N 3.43Å
509R92.3Very high87.2Confident136 Ų13692.7 Ų92.751%0.51345%0.453SS..Hα-helixtrans-64.8-55.4169.5-80.4-174.8170.8-121.55110.7Y505 K506 C507 Q511 K512 D513Y505-R509 HydrophobicContact CE1-CG 4.44Å; Y505-R509 PolarHBondContact O-N 3.38Å; Y505-R509 PolarHBondContact OH-NE 3.3Å; Y505-R509 PolarHBondContact OH-NH2 3.24Å; K506-R509 PolarHBondContact O-N 3.46Å; C507-R509 VanDerWaalsContact C-N 3.32Å; C507-R509 PolarHBondContact O-N 2.92Å; R509-Q511 PolarHBondContact O-N 3.42Å; R509-K512 CarbonylContact O-C 3.59Å; R509-K512 WeakPolarHBondContact O-CA 3.44Å; R509-K512 PolarHBondContact O-N 2.89Å; R509-D513 PolarHBondContact O-N 3.02Å; R509-D513 VanDerWaalsContact O-OD2 3.06Å
510A90.5Very high85.4Confident52 Ų5294.2 Ų94.243%0.4347%0.468SS..Hα-helixtrans-57.7-26.6-178.200000114.4K506 C507 K514K506-A510 PolarHBondContact O-N 2.93Å; C507-A510 PolarHBondContact O-N 2.96Å; A510-K514 WeakPolarHBondContact O-CG 3.38Å; A510-K514 PolarHBondContact O-N 3.35Å
511Q87.7Confident83.5Confident121 Ų12199.1 Ų99.157%0.56550%0.495SS*.Hα-helixtrans-68-53.2169.1-73173.2-47.400111.6C507 R509 D513 K514 E515C507-Q511 WeakPolarHBondContact O-CG 3.41Å; C507-Q511 PolarHBondContact O-N 3.26Å; R509-Q511 PolarHBondContact O-N 3.42Å; Q511-D513 VanDerWaalsContact C-N 3.3Å; Q511-D513 PolarHBondContact O-N 3.49Å; Q511-K514 WeakPolarHBondContact O-CB 3.49Å; Q511-K514 PolarHBondContact O-N 2.95Å; Q511-E515 WeakPolarHBondContact O-CG 3.48Å; Q511-E515 PolarHBondContact O-N 2.72Å
512K86.4Confident81.5Confident136 Ų136101.5 Ų101.559%0.59151%0.505SS*.Hα-helixtrans-64.1-34.3179.1-158.1-140.9170.8-147.10113.1K508 R509 K514 E515 S516K508-K512 PolarHBondContact O-N 3.43Å; R509-K512 CarbonylContact O-C 3.59Å; R509-K512 WeakPolarHBondContact O-CA 3.44Å; R509-K512 PolarHBondContact O-N 2.89Å; K512-K514 VanDerWaalsContact C-N 3.31Å; K512-K514 PolarHBondContact O-N 3.47Å; K512-E515 WeakPolarHBondContact O-CB 3.4Å; K512-E515 PolarHBondContact O-N 3.34Å; K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 VanDerWaalsContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3.18Å
513D83.1Confident79.4Confident86 Ų86103 Ų10346%0.4651%0.509SS..Hα-helixtrans-66.9-36.6179.9-56.6-30.3000110.1R509 Q511 S516 S517R509-D513 PolarHBondContact O-N 3.02Å; R509-D513 VanDerWaalsContact O-OD2 3.06Å; Q511-D513 VanDerWaalsContact C-N 3.3Å; Q511-D513 PolarHBondContact O-N 3.49Å; D513-S516 WeakPolarHBondContact CA-OG 3.43Å; D513-S516 PolarHBondContact O-N 3.08Å; D513-S516 PolarHBondContact O-OG 3.05Å; D513-S517 PolarHBondContact O-N 2.67Å
514K80.6Confident77.1Confident157 Ų157105.4 Ų105.468%0.68353%0.53SS*.Hα-helixtrans-67.3-40.8169.8-76.4-173.3171.9-156.50113.4A510 Q511 K512 S516 S517 S518A510-K514 WeakPolarHBondContact O-CG 3.38Å; A510-K514 PolarHBondContact O-N 3.35Å; Q511-K514 WeakPolarHBondContact O-CB 3.49Å; Q511-K514 PolarHBondContact O-N 2.95Å; K512-K514 VanDerWaalsContact C-N 3.31Å; K512-K514 PolarHBondContact O-N 3.47Å; K514-S516 PolarHBondContact O-N 3.25Å; K514-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-OG 3.03Å; K514-S517 VanDerWaalsContact O-OG 3.09Å; K514-S518 PolarHBondContact O-N 3.42Å; K514-S518 VanDerWaalsContact O-N 3.14Å; K514-S518 PolarHBondContact O-OG 3.26Å
515E76.8Confident74.7Confident118 Ų118107.3 Ų107.355%0.55155%0.551SS**Hα-helixtrans-59.5-31.6174.6-68.9163-171.700111.8Q511 K512 S518 I519Q511-E515 WeakPolarHBondContact O-CG 3.48Å; Q511-E515 PolarHBondContact O-N 2.72Å; K512-E515 WeakPolarHBondContact O-CB 3.4Å; K512-E515 PolarHBondContact O-N 3.34Å; E515-S518 PolarHBondContact O-OG 3.22Å; E515-I519 VanDerWaalsContact O-CD1 3.32Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.44Å
516S73.2Confident72.3Confident66 Ų66106 Ų10646%0.46256%0.556SS.*Hα-helixtrans-77.2-37.2173.340.40000114.6K512 D513 K514 I519K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 VanDerWaalsContact O-N 3.07Å; K512-S516 PolarHBondContact O-OG 3.18Å; D513-S516 WeakPolarHBondContact CA-OG 3.43Å; D513-S516 PolarHBondContact O-N 3.08Å; D513-S516 PolarHBondContact O-OG 3.05Å; K514-S516 PolarHBondContact O-N 3.25Å; S516-I519 PolarHBondContact O-N 2.97Å
517S69.2Low69.9Low56 Ų56103 Ų10339%0.39255%0.55SS.*Hα-helixtrans-71.8-34.9-179.258.60000112.8D513 K514 I519 S520D513-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-N 2.67Å; K514-S517 PolarHBondContact O-OG 3.03Å; K514-S517 VanDerWaalsContact O-OG 3.09Å; S517-I519 PolarHBondContact O-N 3.42Å; S517-S520 PolarHBondContact O-N 3.09Å; S517-S520 PolarHBondContact O-OG 2.84Å
518S62.7Low67.6Low73 Ų73107.7 Ų107.751%0.5157%0.572SS.*Hα-helixtrans-66.9-8.4175.454.80000114.4K514 E515K514-S518 PolarHBondContact O-N 3.42Å; K514-S518 VanDerWaalsContact O-N 3.14Å; K514-S518 PolarHBondContact O-OG 3.26Å; E515-S518 PolarHBondContact O-OG 3.22Å
519I62Low65.4Low124 Ų124106.7 Ų106.764%0.63658%0.577SS**Hα-helixtrans-98.9-28.7179.7-65.7175.2000111.8E515 S516 S517E515-I519 VanDerWaalsContact O-CD1 3.32Å; E515-I519 WeakPolarHBondContact O-CD1 3.46Å; E515-I519 WeakPolarHBondContact O-CG1 3.44Å; S516-I519 PolarHBondContact O-N 2.97Å; S517-I519 PolarHBondContact O-N 3.42Å
520S60.6Low63.2Low61 Ų61108.7 Ų108.743%0.42760%0.595SS.*Hα-helixtrans-68.9-36.9176.445.20000112.9S517 H522 S524S517-S520 PolarHBondContact O-N 3.09Å; S517-S520 PolarHBondContact O-OG 2.84Å; S520-H522 VanDerWaalsContact C-N 3.32Å; S520-H522 PolarHBondContact O-N 2.83Å; S520-S524 PolarHBondContact O-OG 3.12Å
521D58.1Low60.8Low111 Ų111113.4 Ų113.459%0.59461%0.613SS**THydrogen-bonded Turntrans-84.5-10.8-161-58-1.1000112.7
522H56.3Low58.7Low157 Ų157115.1 Ų115.173%0.72763%0.625SS**THydrogen-bonded Turntrans-103.9-11.7177.7-74-42.4000115.3S520S520-H522 VanDerWaalsContact C-N 3.32Å; S520-H522 PolarHBondContact O-N 2.83Å
523H53.3Low56.5Low130 Ų130120.6 Ų120.660%0.60264%0.642SS**THydrogen-bonded Turntrans-91.7-9.6176.9-146.4-47.8000113.4T525H523-T525 VanDerWaalsContact C-N 3.34Å; H523-T525 PolarHBondContact O-N 3.22Å
524S47.8Very low54.2Low89 Ų89124 Ų12462%0.62266%0.661SS**THydrogen-bonded Turntrans-82.6-4.2-174.2-59.90000114.7S520S520-S524 PolarHBondContact O-OG 3.12Å
525T48.5Very low52.4Low118 Ų118124.2 Ų124.272%0.72467%0.669SS**THydrogen-bonded Turntrans-116.2-5.2-168.8-34.20000114.1H523H523-T525 VanDerWaalsContact C-N 3.34Å; H523-T525 PolarHBondContact O-N 3.22Å
526T46.5Very low50.8Low97 Ų97123.9 Ų123.960%0.59568%0.68SS**SBendtrans-122.12.9-174.942.20000114.6
527T45.5Very low49.4Very low85 Ų85128.1 Ų128.152%0.52170%0.696SS.*SBendtrans-11451.3179.460.50000112.5
528N45Very low48.2Very low147 Ų147132 Ų13279%0.78671%0.712SS**SBendtrans-142.216174.9-88.9-56.4000113.7
529T47.4Very low47.1Very low120 Ų120134.1 Ų134.174%0.73673%0.726SS**SBendtrans-144.326.5-174.250.40000114
530M45.3Very low46.1Very low179 Ų179136 Ų13688%0.88274%0.738SS**SBendtrans-130.245.6-175.6-73-73-78.200113
531D39.8Very low44.9Very low150 Ų150141.2 Ų141.280%0.80276%0.755SS**SBendtrans-148.4165.2161-151-22.8000109.3
532L44.4Very low43.8Very low158 Ų158142.3 Ų142.383%0.82776%0.761SS**SBendtrans63.753-177.1-53.6-179.6000116.4
533R39.8Very low42.8Very low251 Ų251139.8 Ų139.895%0.94776%0.761SS**  trans-157.566.2158.6-123.3166.6-172.21642.5115.3
534N35.8Very low42.1Very low158 Ų158141.3 Ų141.385%0.84577%0.771SS**  trans-146.254.6169.8-164.741.7000112.7
535D41.4Very low41.7Very low161 Ų161144.6 Ų144.686%0.86178%0.777SS**  trans-147.4152.8172.1-101.5-47.8000110.8
536S44.3Very low41.1Very low111 Ų111145.6 Ų145.678%0.77678%0.778SS**  trans55.688.2174.9-68.50000118.2
537I44.4Very low40.9Very low155 Ų155147.6 Ų147.680%0.79579%0.79SS**  trans-68.6146.2146.6-61.8170.5000108.6
538N42.4Very low40.5Very low137 Ų137149.3 Ų149.373%0.73380%0.801SS**  trans71.1129.5-173.2-45.5-52.8000113
539S41.1Very low39.9Very low117 Ų117147.8 Ų147.882%0.81880%0.801SS**  cis-156.4163.439.8-57.30000112.9
540N40.5Very low39.3Very low165 Ų165147 Ų14788%0.88280%0.801SS**  trans-78.9136.9180-44.5-73.6000113.1
541H36Very low39Very low170 Ų170146.1 Ų146.179%0.78780%0.798SS**  trans-156.9159.2146-152.1-103.9000113.5
542L35.1Very low38.8Very low134 Ų134142.5 Ų142.570%0.70279%0.789SS**  trans-49.7146.5-174.9-76.251000114.1
543S34.1Very low38.5Very low104 Ų104140.2 Ų140.273%0.72778%0.782SS**  cis79.494.340.1-176.40000115.6
544I39.4Very low38.5Very low161 Ų161133.5 Ų133.583%0.82677%0.769SS**  trans-164.4102.3153.7-90.3140.9000103.8
545Q40.1Very low38.7Very low159 Ų159134.3 Ų134.374%0.74377%0.772SS**  66.2120.487.4-75.5-162.6-300116.4
546N34.2Very low38.7Very low139 Ų139135.1 Ų135.174%0.74377%0.768SS**  trans57.6117.4151-48.3-17.4000117.2
547T43.1Very low38.7Very low138 Ų138134.9 Ų134.985%0.84776%0.758SS**  -155.3155.474.738.60000115.7
548T36Very low38.6Very low122 Ų122138.7 Ų138.775%0.74876%0.763SS**  trans-28.9145.2168.446.50000121
549S33.1Very low38.5Very low114 Ų114142.7 Ų142.780%0.79777%0.768SS**  trans82.3148.3142.5770000121
550S35.7Very low38.4Very low104 Ų104144 Ų14473%0.72777%0.765SS**  trans64.386.5167.1-154.90000119
551I39.3Very low38.5Very low160 Ų160141 Ų14182%0.82175%0.752SS**  trans-127.854.1147.1-44.1-179000109.6
552A35Very low38.8Very low74 Ų74140.6 Ų140.661%0.61275%0.751SS**  trans-88.7158.6147.500000108
553T38.5Very low38.8Very low110 Ų110140.7 Ų140.768%0.67575%0.752SS**  trans70.680.7178.8-44.70000115.2
554T39.2Very low39.2Very low111 Ų111143.3 Ų143.368%0.68176%0.757SS**SBendtrans-140.98.7166.8-21.60000115.2
555L39.6Very low39.4Very low174 Ų174142.8 Ų142.891%0.91176%0.755SS**SBendtrans-123.5-6177.7-71.7177.2000115.7
556F41.9Very low39.4Very low179 Ų179142.8 Ų142.879%0.78576%0.76SS**SBendtrans-87.3-25.7-178.7-158.2-106.2000114.1
557N43Very low39.6Very low106 Ų106143.6 Ų143.657%0.56776%0.764SS**SBendtrans-94.42.7-166.2-68.1-9.8000115.6R559N557-R559 PolarHBondContact O-N 3.45Å
558R43.3Very low39.5Very low234 Ų234148.4 Ų148.488%0.88377%0.767SS**THydrogen-bonded Turntrans-86.323-176-150.7176.9178.8175.5-0.4114.5
559R40.3Very low39.3Very low222 Ų222150.7 Ų150.784%0.83877%0.774SS**THydrogen-bonded Turntrans-130.67.2177.4-151.173.9-168.8-1444.1114.2N557N557-R559 PolarHBondContact O-N 3.45Å
560L39.2Very low39.5Very low144 Ų144153.1 Ų153.175%0.75478%0.777SS**SBendtrans-128.328-179.4-75.1168.1000113.4
561T42.2Very low39.4Very low102 Ų102153.9 Ų153.963%0.62678%0.783SS**SBendtrans-126.721.1178.261.60000113.1
562Q42Very low39.2Very low161 Ų161152 Ų15275%0.75278%0.783SS**SBendtrans-104.4-29.5178.1-148.776.642.800112.3
563D36.6Very low39Very low137 Ų137156.3 Ų156.373%0.73380%0.796SS**SBendtrans-97.718.1-169.2-53.6-63.6000114.6
564L42.3Very low39.1Very low158 Ų158157.3 Ų157.383%0.82780%0.802SS**SBendtrans-133.441.6-179.6-76.5177000113.3
565L42.5Very low38.9Very low151 Ų151158.6 Ų158.679%0.79181%0.805SS**SBendtrans-123.3-17.9169.3-78.8172.1000114.7N567L565-N567 PolarHBondContact O-N 2.87Å
566D39.7Very low38.5Very low159 Ų159156.9 Ų156.985%0.8580%0.795SS**SBendtrans-94.559.2177.5-74.2-41.8000112.8
567N39.7Very low38.2Very low155 Ų155155.2 Ų155.283%0.82980%0.795SS**SBendtrans-169.4145.4156.2-107-65.6000112.3L565L565-N567 PolarHBondContact O-N 2.87Å
568R39.5Very low37.9Very low240 Ų240155.3 Ų155.391%0.90680%0.799SS**  trans63.752.8173.4-67.6-175.5163.4-173.5-4.6118.2
569L33.3Very low37.6Very low169 Ų169151.7 Ų151.789%0.88579%0.794SS**  trans-86.195.7139.6-77.5178.3000109.4
570L35.7Very low37.3Very low165 Ų165148 Ų14886%0.86479%0.791SS**  trans179.192.3146.4-122.471.9000111.3
571S35.3Very low37Very low121 Ų121146.7 Ų146.785%0.84679%0.785SS**SBendtrans178.6121.9143-82.60000112.4
572S34.9Very low36.6Very low119 Ų119151.9 Ų151.983%0.83279%0.793SS**  trans48.999.1149.2-53.80000120.1
573N30.8Very low36.3Very low165 Ų165153.5 Ų153.588%0.88280%0.798SS**  trans-64.1142.6155.6-58.2-55.3000111.5
574T40.7Very low36Very low132 Ų132154 Ų15481%0.8180%0.8SS**  trans-155.4135.6137.39.40000112.3
575N34Very low35.6Very low137 Ų137152.5 Ų152.573%0.73379%0.792SS**  trans-10.9132.4168.8-53.9-24000118.2
576I32.2Very low35.3Very low139 Ų139152.7 Ų152.771%0.71379%0.789SS**  68.1128.858.3-61.8171.1000112.5
577N34Very low35.1Very low144 Ų144150.7 Ų150.777%0.7778%0.783SS**  trans71.4146.4175.7-65.2-18.6000115.5
578T37.4Very low34.7Very low107 Ų107150.7 Ų150.766%0.65678%0.783SS**  cis-160.3161.31.73.10000112.4
579M38Very low34.7Very low158 Ų158147.4 Ų147.478%0.77878%0.781SS**  trans55.6115.1148.7-69.9-177.4-73.100121.7
580N33.7Very low34.9Very low146 Ų146144.7 Ų144.778%0.78177%0.772SS**  37.8144.5119.1-76.7-20.2000123
581N31.5Very low34.9Very low116 Ų116143 Ų14362%0.6276%0.764SS**  trans94.7124.6149-82.9-63.8000120.8
582R35.1Very low35Very low210 Ų210144.2 Ų144.279%0.79276%0.756SS**  trans67.7116.1149.8-55.7157.3-152.5172.95.3115.6
583K34.6Very low35.2Very low196 Ų196146 Ų14685%0.85275%0.751SS**  65.889.656.8-168.8-172.5-176.9178.80112.7
584L31.8Very low35.5Very low148 Ų148142.1 Ų142.178%0.77574%0.736SS**  trans173.6146.1136.4-95.3159.1000112.2
585N33.4Very low35.3Very low125 Ų125143 Ų14367%0.66874%0.735SS**  trans66.3155.9148.9-68.7-0.7000121.5
586Q35.1Very low35.3Very low156 Ų156142.8 Ų142.873%0.72973%0.734SS**  cis-170.5-177.7-35.7-143.8170.812.200108.6
587T37.1Very low35.7Very low117 Ų117140.4 Ų140.472%0.71873%0.729SS**  trans67.5114.617362.10000114.9
588N31.6Very low35.8Very low154 Ų154140 Ų14082%0.82473%0.727SS**  95.1117.351.7-74.916.7000111.4
589I38.1Very low35.8Very low171 Ų171142.2 Ų142.288%0.87773%0.734SS**  trans-117.5154159-67.3178.7000107.1
590T38.2Very low35.7Very low113 Ų113138.5 Ų138.569%0.69372%0.724SS**  trans-79.8143.5-15434.20000117.4
591D35.9Very low35.8Very low130 Ų130138.5 Ų138.570%0.69572%0.723SS**  trans76.6108.4130.3-57.3-10000123.2
592H38Very low35.8Very low145 Ų145137.7 Ų137.767%0.67173%0.726SS**  86.2129.5120.6-88.5-100.8000122.8
593H38.1Very low35.8Very low157 Ų157132.8 Ų132.873%0.72772%0.724SS**  trans69.7139.1155.5-63.2-52.5000118.6
594S36.4Very low35.9Very low83 Ų83132.7 Ų132.758%0.5873%0.727SS**  cis-172.3157.3-9.8-111.60000110.2
595I37.4Very low36Very low152 Ų152130.3 Ų130.378%0.77972%0.722SS**  trans66.5127.3149.8-66.7164.4000116
596D34.3Very low36Very low132 Ų132132.3 Ų132.371%0.70673%0.732SS**  cis-165.4179.3-8.6-138.8-53.3000111.3
597S40.1Very low36Very low88 Ų88129.4 Ų129.462%0.61573%0.729SS**  trans-9.4156.6151.152.70000120.6
598D35.9Very low35.7Very low136 Ų136131.5 Ų131.573%0.72773%0.734SS**  cis-169.7178.17-132.3-37000114.4
599L37.3Very low36Very low153 Ų153133.1 Ų133.180%0.80174%0.737SS**  trans65.5154.4153.9-65.4156.4000119.4
600S36.7Very low35.8Very low81 Ų81132.1 Ų132.157%0.56673%0.729SS**  cis-172.4166.4-18.656.70000112.7
601N34.9Very low35.7Very low145 Ų145137.4 Ų137.478%0.77574%0.737SS**  trans66.2153.3157.3-62.6-7.7000118.9
602C31.9Very low35.7Very low100 Ų100137.7 Ų137.768%0.67673%0.734SS**  cis-154.7142.4-18.1-101.30000106.2
603S34.2Very low35.8Very low107 Ų107138.1 Ų138.175%0.74874%0.741SS**  78.294.757-54.70000114.2
604E38.4Very low35.8Very low194 Ų194136.2 Ų136.291%0.90774%0.737SS**  trans-162.6-178.2141.7-117.2170.4-155.600111.7
605S32.3Very low35.9Very low98 Ų98139.7 Ų139.769%0.68575%0.748SS**  -163.6179.4-124.7-71.50000114.3
606L34.1Very low35.9Very low166 Ų166140.4 Ų140.487%0.86975%0.748SS**  trans69.8147.7174.9-62.4104.5000115.2
607S35.2Very low36.2Very low96 Ų96139.2 Ų139.267%0.67175%0.748SS**  cis-155.5127.7-10.641.40000107.6
608I30.7Very low36Very low160 Ų160139.4 Ų139.482%0.82175%0.749SS**  50.9106.687.3-57.1175.4000113.4
609E38.3Very low35.9Very low189 Ų189141 Ų14188%0.88375%0.752SS**  -154.4152.9116.2-121.1175.2-167.100110.3
610E34.5Very low35.9Very low150 Ų150140.8 Ų140.870%0.70175%0.751SS**  trans-142.9133.5-163.2174-177.6-169.600109.8H612E610-H612 IonicContact OE1-CD2 3.96Å
611Y36Very low35.9Very low224 Ų224145.2 Ų145.288%0.87877%0.765SS**  trans-144.2106164.4-97.9-80.7000111.1
612H35.9Very low36.2Very low136 Ų136144 Ų14463%0.6377%0.765SS**  trans-67.3152.9154.6-96.8-95.9000110.1E610E610-H612 IonicContact OE1-CD2 3.96Å
613D39.2Very low36.4Very low154 Ų154145 Ų14582%0.82477%0.768SS**  -156.3156.7117.8-135.8-34.6000111.2
614D37.9Very low36.7Very low117 Ų117146.9 Ų146.963%0.62677%0.768SS**  trans-93.2162-170.1-73.5-60.3000113.6
615N38.7Very low36.7Very low155 Ų155144.1 Ų144.183%0.82976%0.759SS**  165.9126.9112.7-89.6-76.8000114.4
616H38.4Very low36.7Very low168 Ų168146.6 Ų146.678%0.77877%0.765SS**  trans-78.2-177.8153.9-126.4-120.6000108.3
617P39.5Very low36.9Very low106 Ų106146.7 Ų146.769%0.68876%0.761SS**  cis-145.5162.315.241.2-20.7000119.1
618S35.8Very low36.9Very low93 Ų93150.3 Ų150.365%0.6577%0.765SS**  trans60148.4133.9-62.40000125.4
619H35Very low37.3Very low170 Ų170150.7 Ų150.779%0.78777%0.766SS**  trans114.7130.1131.9-109-71.8000120.9
620L36.4Very low37.1Very low148 Ų148149.3 Ų149.378%0.77576%0.76SS**  trans75.5110.8160-55.3179.6000120.8
621M36.2Very low37.3Very low174 Ų174150.2 Ų150.286%0.85777%0.769SS**  trans-81.1163145.5-77.6-83.8142.300109.9
622P42Very low37.4Very low120 Ų120147.5 Ų147.578%0.77976%0.764SS**  -140.3169105.838.4-26.5000115.6
623T35.9Very low37.3Very low121 Ų121146.1 Ų146.174%0.74277%0.769SS**  trans-75.7163.9177.744.70000113.9
624I40.8Very low37.2Very low146 Ų146143.9 Ų143.975%0.74976%0.763SS**  175124.1119-89157.5000113.5
625N37.4Very low37Very low135 Ų135145.7 Ų145.772%0.72277%0.773SS**  trans36.9128.3146.9-50.2-9.1000124.4
626N33.2Very low36.9Very low150 Ų150147.7 Ų147.780%0.80277%0.774SS**  trans11.8131.7132-47.7-9.3000119.8
627E38.4Very low36.8Very low169 Ų169147 Ų14779%0.7978%0.775SS**  -174.9133.786.4-94.8-153.1164.800115.3
628K34.7Very low36.7Very low172 Ų172149.1 Ų149.175%0.74878%0.776SS**  trans3499.7132.7-171.7-168.1177.2-1740119.8
629I39.4Very low36.8Very low167 Ų167153.6 Ų153.686%0.85678%0.784SS**  trans-130131.7141.6-63.8-176.3000109
630Q34.7Very low36.9Very low160 Ų160151.4 Ų151.475%0.74879%0.787SS**  trans-89.8144.6171.1-63.9171.8-18.400109.9
631L38.3Very low36.7Very low170 Ų170155.2 Ų155.289%0.8979%0.791SS**  trans-155170.9147-110170.7000110.3
632H38.2Very low36.6Very low167 Ų167154.1 Ų154.177%0.77378%0.784SS**  trans-109161.9-150.3-10659.5000116.4
633S33.7Very low36.5Very low106 Ų106154.6 Ų154.674%0.74179%0.785SS**  trans84.8143.8154.5-59.50000119.9
634P36Very low36.4Very low107 Ų107154.8 Ų154.870%0.69579%0.79SS**  trans-100160-178.740.1-35.4000113.8
635D35Very low36.2Very low155 Ų155155.9 Ų155.983%0.82979%0.794SS**  169.794.4125.9-91-12000111.6
636F35.3Very low36.2Very low197 Ų197155.9 Ų155.986%0.86479%0.794SS**  trans-152.4141.3166.4-123.4-105.7000104.8
637I36.6Very low36.4Very low153 Ų153155.5 Ų155.579%0.78579%0.792SS**  cis-139.7143.847.2-73.9157.3000110.8
638Q38.1Very low36.3Very low152 Ų152153.5 Ų153.571%0.7179%0.791SS**  trans-127.5139.2164-159.8-165.166.500109.4
639K38.2Very low36.1Very low187 Ų187152.4 Ų152.481%0.81379%0.793SS**  trans57.3110.3173.6-67.5167.3-179.5168.10117.3
640S36.3Very low35.9Very low123 Ų123150.9 Ų150.986%0.8680%0.796SS**  -132.9142.1126.955.90000109.1
641R32Very low35.9Very low229 Ų229151.1 Ų151.186%0.86480%0.801SS**  trans-119.2160.8173.4-101.9-166.1178.7-166.41107.7
642Q35.7Very low35.6Very low150 Ų150148.3 Ų148.370%0.70180%0.796SS**  trans77.9138.3155.4-130.472.620.700117.5
643T38.4Very low35.2Very low131 Ų131145.9 Ų145.980%0.80480%0.798SS**  trans66.8144.3166.969.20000116.1
644C33.8Very low35.1Very low125 Ų125146.4 Ų146.485%0.84580%0.801SS**  cis-117.3176.2-1.1-73.50000111.8
645M38Very low35Very low169 Ų169149 Ų14983%0.83381%0.808SS**  trans-98.3169.8164.1-70.2-168.566.700111.5
646N37.2Very low34.7Very low134 Ų134152.7 Ų152.772%0.71781%0.81SS**  trans102.1139.9159.3-636.6000118.6
647D35.8Very low34.5Very low143 Ų143149.2 Ų149.277%0.76581%0.809SS**  trans77.4130.9155.6-51.6-26.5000122.5
648T36.8Very low34.2Very low126 Ų126149.4 Ų149.477%0.77381%0.812SS**  trans78.7100.6161.51.50000120
649D31.2Very low34.1Very low149 Ų149149 Ų14980%0.79782%0.815SS**  trans34.8108.3134.2-55.4-19.8000120.6
650C33.8Very low34.1Very low136 Ų136147.5 Ų147.592%0.91982%0.816SS**  trans-147.1118.4144-104.50000112.7
651I35.8Very low34.2Very low164 Ų164152.3 Ų152.384%0.84182%0.815SS**  trans-80.6123.9171-60.8165.1000108.7
652S32.8Very low34.3Very low112 Ų112148.8 Ų148.878%0.78381%0.813SS**  trans-179.5111.7140.1-84.50000114.6
653S28.9Very low34.1Very low116 Ų116150.9 Ų150.981%0.81182%0.823SS**  trans4.3109.7145.4-49.30000120.2
654S31.7Very low34.1Very low116 Ų116151 Ų15181%0.81182%0.823SS**  165124.5126.8-78.10000113.6
655L33.6Very low34.2Very low162 Ų162152.1 Ų152.185%0.84882%0.821SS**  trans164.299.2154.2-93.2159.9000106.2
656R29.4Very low34.1Very low232 Ų232151.6 Ų151.688%0.87582%0.821SS**  48.4107.183.7-62.3-174.378.9-153.46.2114.5
657C31.5Very low34Very low125 Ų125152 Ų15285%0.84583%0.828SS**  -149.9149.7129-116.70000110.5
658N30Very low34.1Very low156 Ų156154.3 Ų154.383%0.83483%0.831SS**  trans-120.3123.9167.5-84.2-48.8000106.8
659D35.4Very low34.3Very low144 Ų144155.2 Ų155.277%0.7783%0.832SS**  trans-150.5155156.9-78.2-57000105.2
660D37.9Very low34.5Very low156 Ų156152.4 Ų152.483%0.83482%0.824SS**  cis-121.4146.324.8-57.8-65.7000115.3
661R37.7Very low34.6Very low223 Ų223153.6 Ų153.684%0.84282%0.817SS**SBendtrans-148.5127.5144.1-88.9-164.5-177.7170.74.5111.7
662N33.9Very low34.6Very low156 Ų156152.4 Ų152.483%0.83481%0.81SS**  trans66.576.5157.7-53-14.3000117.7
663E32.3Very low34.9Very low194 Ų194154 Ų15491%0.90781%0.809SS**  trans-105.6111.9145.6-80.1-150.4129.200110.9
664V37.9Very low35.3Very low133 Ų133153.7 Ų153.781%0.80680%0.802SS**  -162.398.8129178.60000106.8
665N35.8Very low35.5Very low149 Ų149156.7 Ų156.780%0.79780%0.804SS**SBendtrans-174.7145.6145.7-107.2-44.2000113.8
666L37.1Very low35.7Very low158 Ų158154.5 Ų154.583%0.82780%0.802SS**  trans57.787.3167.8-78.576.3000118.1
667T34.8Very low36.1Very low142 Ų142151.8 Ų151.887%0.87180%0.799SS**  trans-96.3118.2145.740.20000110.5
668K38.8Very low36.3Very low191 Ų191152.3 Ų152.383%0.8379%0.793SS**  trans-168.3143.8157.2-119.5173.6-174.1178.60113
669N39.2Very low36.7Very low146 Ų146152.3 Ų152.378%0.78179%0.789SS**  trans70.1136.4171.8-44.8-23000114
670S36.3Very low36.8Very low90 Ų90151.6 Ų151.663%0.62978%0.784SS**  cis-163.4153.8-5.5-133.40000111.7
671M36.4Very low36.7Very low160 Ų160152.1 Ų152.179%0.78878%0.781SS**  trans67.5147.9151-65.6164.9173.300117.8
672M36.2Very low36.5Very low139 Ų139145.8 Ų145.869%0.68577%0.771SS**  cis-163.7157-7.8-128.7-169.7-68.700111.7
673L37.4Very low36.7Very low145 Ų145147.5 Ų147.576%0.75977%0.773SS**  trans65.4150.1157.6-55.6161.7000116.7
674T38Very low36.7Very low110 Ų110146.3 Ų146.368%0.67577%0.768SS**  cis-158.9123.6-916.70000106.7
675Q35.4Very low36.7Very low180 Ų180148.3 Ų148.384%0.84177%0.773SS**  61.4101.984.9-80.1-165-8.700118.5
676S38.2Very low36.5Very low115 Ų115148 Ų14880%0.80477%0.77SS**  trans-174.4109.6138.3500000107.8
677Q37.4Very low36.5Very low176 Ų176146.8 Ų146.882%0.82277%0.765SS**  61.2106.463.9-73.3-162.9-16.300116.2
678N37Very low36.6Very low135 Ų135146.6 Ų146.672%0.72276%0.758SS**  trans-169.8125.6135-91.4-26.9000108.1
679Q37.2Very low36.4Very low157 Ų157144 Ų14473%0.73476%0.759SS**  67.3128.676.4-72.2-164.79000112.5
680L37.6Very low36.6Very low129 Ų129143.1 Ų143.168%0.67576%0.761SS**  cis-152-178.2-3.7-91.8168.8000106.7
681H36Very low36.6Very low166 Ų166145.7 Ų145.777%0.76977%0.773SS**  cis-151.7-150.98.8-141.6145.2000110.4
682S33.4Very low36.6Very low91 Ų91141.2 Ų141.264%0.63677%0.767SS**  trans-153.2153.1178.260.40000113.4
683H38.5Very low36.5Very low191 Ų191143.2 Ų143.288%0.88477%0.773SS**  trans-141.9152.1157.8-102.5-82.2000112
684Q32.6Very low36.5Very low170 Ų170145.4 Ų145.479%0.79478%0.776SS**  trans-99.4160.6-171.5-55.1147.7-67.100111.7
685L36.7Very low36.3Very low174 Ų174143.1 Ų143.191%0.91178%0.775SS**  -164.6166.8117-104.5162.6000111.5
686I32.9Very low36.3Very low143 Ų143144.6 Ų144.673%0.73377%0.774SS**  trans-112.6150.2-173.7-62164.5000108
687N36.6Very low36.3Very low133 Ų133145.4 Ų145.471%0.71177%0.769SS**  trans173.2134.6134.5-87.44.8000113.3
688D36.1Very low36Very low137 Ų137143.8 Ų143.873%0.73377%0.766SS**  trans52.9128.2138.4-47.8-35.3000123.3
689T36.1Very low36Very low138 Ų138145.4 Ų145.485%0.84777%0.774SS**  trans-73.7148164.843.60000113.7
690P42.7Very low35.8Very low126 Ų126145.6 Ų145.682%0.81878%0.779SS**  trans-123.5148.7148.236.6-27.4000113.7
691T36.4Very low35.9Very low145 Ų145147.4 Ų147.489%0.8979%0.789SS**  trans-106.1142.8175.750.10000112.7
692G36.7Very low35.8Very low65 Ų65144.9 Ų144.967%0.6778%0.781SS**  trans-164.3128.1160.800000109.8
693F32.6Very low36Very low182 Ų182146.6 Ų146.680%0.79879%0.79SS**  54.9120.872.7-87.3-91.1000112.3
694F37.4Very low35.9Very low190 Ų190143.5 Ų143.583%0.83378%0.78SS**  cis-136.1172.713.8-66.2-108.7000109.8
695G35Very low36.1Very low63 Ų63143 Ų14365%0.64978%0.783SS**  cis159.7131.3-9.900000114.2
696Y35.5Very low35.9Very low211 Ų211146.5 Ų146.583%0.82779%0.786SS**  trans75.9138151.7-75.7-69.6000125.2
697N37.1Very low36Very low131 Ų131145 Ų14570%0.70179%0.788SS**  trans82.297.7144.9-64.7-14.9000121.4
698D31.9Very low35.8Very low142 Ų142146.1 Ų146.176%0.75979%0.793SS**  trans-10.3140.3131.1-53.3-84.4000117.9
699L37.4Very low36Very low169 Ų169149.6 Ų149.689%0.88580%0.802SS**  -167.5148.796.4-99.4169.4000112.9
700L32.7Very low36Very low161 Ų161151.8 Ų151.884%0.84380%0.802SS**  trans-65.8141.4170.8-68.2147000111
701L38.7Very low35.9Very low167 Ų167149.5 Ų149.587%0.87480%0.802SS**  trans-172117141.6-105.1160.2000115
702N33.9Very low35.9Very low114 Ų114154.4 Ų154.461%0.6180%0.804SS**  trans51.8105.8143.2-163.68.7000121.2N704N702-N704 PolarHBondContact O-N 3.49Å; N702-N704 VanDerWaalsContact O-N 3.16Å; N702-N704 PolarHBondContact OD1-ND2 3.36Å
703P38.5Very low35.9Very low126 Ų126156.7 Ų156.782%0.81881%0.809SS**  trans-8481.8170.835.2-33.7000112.4
704N36.2Very low36Very low126 Ų126154.9 Ų154.967%0.67481%0.805SS**  trans-146.973.5172.4-88.8-66.2000112.7N702N702-N704 PolarHBondContact O-N 3.49Å; N702-N704 VanDerWaalsContact O-N 3.16Å; N702-N704 PolarHBondContact OD1-ND2 3.36Å
705N35.9Very low36.1Very low159 Ų159154.9 Ų154.985%0.8581%0.805SS**  trans-178.7113.5148.5-103-56.2000111
706Y32.9Very low36Very low248 Ų248157.3 Ų157.397%0.97380%0.804SS**  trans-107.9109.7159.9-93.4-81.6000108.7
707S34.7Very low36.1Very low111 Ų111157.3 Ų157.378%0.77680%0.804SS**  trans-147.9154.5165-166.80000109.7
708L34.1Very low36.2Very low158 Ų158155.8 Ų155.883%0.82781%0.809SS**  trans-60.3143.4-162.9-87.959.9000114.2
709K39.5Very low36.4Very low209 Ų209154.4 Ų154.491%0.90981%0.806SS**  trans-108.3129.8145.7-83.9-172173.8-179.70109.3
710Q35.7Very low36.6Very low185 Ų185154.2 Ų154.286%0.86481%0.806SS**PPolyproline II helixtrans-78.8141.7172.6-69.4175.7-24.300111.1
711G41.7Very low36.9Very low78 Ų78154 Ų15480%0.80480%0.8SS**PPolyproline II helixtrans-101.1142.2154.800000109.6
712R35.6Very low36.9Very low247 Ų247154.2 Ų154.293%0.93280%0.801SS**PPolyproline II helixtrans-94.1171.6-178.7-83.9179.1162.2-169.1-4.5112.3
713S37.4Very low36.9Very low113 Ų113153.5 Ų153.579%0.7981%0.805SS**  trans102.1131.2156.8-153.30000114.8
714M35.1Very low36.7Very low145 Ų145155.3 Ų155.371%0.71481%0.807SS**  cis-162.2-177.9-13.5-111.8-100.8-8000108.8
715F38Very low37.1Very low190 Ų190154.2 Ų154.283%0.83381%0.805SS**  trans76.4147177.7-64.6-83.8000117.6
716N34.3Very low37.5Very low114 Ų114152.5 Ų152.561%0.6180%0.803SS**  -174.3159.2-85.9-174.122000109.4
717Y36.6Very low37.9Very low211 Ų211147.4 Ų147.483%0.82779%0.791SS**  trans66.6147.3-174.7-52.3-81.8000115
718A38.9Very low38Very low98 Ų98147.7 Ų147.781%0.8179%0.79SS**  cis-124.3153.4-0.500000111.9
719T37.5Very low38.4Very low114 Ų114147.5 Ų147.570%0.69979%0.789SS**  trans-92149.2-174.147.70000113.4
720N40Very low38.4Very low165 Ų165143.3 Ų143.388%0.88278%0.783SS**  trans-146.2153133.7-113.1-38.2000111.9
721H39.6Very low38.2Very low156 Ų156139.6 Ų139.672%0.72278%0.778SS**  trans-94.9143-163.9-64.5-116000112.5
722L39.5Very low37.8Very low172 Ų172141 Ų14190%0.90178%0.775SS**  -171.6141116.4-99.9161.5000110.9
723S33.2Very low37.9Very low99 Ų99138 Ų13869%0.69278%0.776SS**  trans-85.1148.3174.154.20000111.3
724L35.4Very low37.5Very low164 Ų164141 Ų14186%0.85978%0.778SS**  -166.5149.2128.8-103.7157.9000113.1
725T44.3Very low37.5Very low102 Ų102142.1 Ų142.163%0.62679%0.786SS**PPolyproline II helixtrans-57.1150.3-174.847.70000116.1
726P43Very low37.2Very low124 Ų124136.7 Ų136.781%0.80577%0.772SS**PPolyproline II helixtrans-65.3140.316330.7-34.3000110.7P728P726-P728 WeakPolarHBondContact O-CD 3.44Å
727I42.8Very low37.1Very low141 Ų141141.6 Ų141.672%0.72378%0.783SS**PPolyproline II helixtrans-97124.3-164.3-62.1170.9000112L729I727-L729 HydrophobicContact CG2-CD1 3.27Å
728P36.5Very low37.1Very low116 Ų116139.8 Ų139.875%0.75378%0.782SS**PPolyproline II helixtrans-94.8133.8159.534.7-28.5000111P726P726-P728 WeakPolarHBondContact O-CD 3.44Å
729L42Very low36.8Very low155 Ų155142.8 Ų142.881%0.81279%0.785SS**  trans-122154.5169.3-106.683.8000110.6I727I727-L729 HydrophobicContact CG2-CD1 3.27Å
730P39.2Very low36.7Very low120 Ų120140.9 Ų140.978%0.77979%0.787SS**  -127.2171.4-129.530-9.1000114.8
731S32.3Very low36.3Very low108 Ų108143.8 Ų143.876%0.75579%0.786SS**SBendtrans-81.2154.5165.5-57.10000111.9
732S32.5Very low36Very low106 Ų106142.6 Ų142.674%0.74179%0.785SS**  trans54.6109160.954.50000118.9
733L37.5Very low35.9Very low184 Ų184142.4 Ų142.496%0.96378%0.78SS**  trans-124.8157.1138.8-81.8-179.7000109.8
734Q30.4Very low35.8Very low176 Ų176142.5 Ų142.582%0.82278%0.78SS**  trans-145.596.4-150.5174.6-167.9-30.100111.2
735L35Very low35.8Very low169 Ų169142.3 Ų142.389%0.88578%0.778SS**  trans-159.7148.8168.8-83.4112.6000108.2
736S31.9Very low35.2Very low77 Ų77142.2 Ų142.254%0.53878%0.782SS.*  cis-174.8150.7-15.449.40000109.4
737Y32.2Very low35.1Very low216 Ų216142.3 Ų142.385%0.84778%0.782SS**  trans66.5150.6179.4-57.8-91.2000115
738E36.3Very low34.6Very low173 Ų173141.7 Ų141.781%0.80877%0.771SS**  cis-135.8170.80.6-156.3167.4-158.400112.2
739N32Very low34.5Very low162 Ų162140.9 Ų140.987%0.86677%0.768SS**  trans-82.7144.4-174.6-55.3-78.1000113
740G35.5Very low34.1Very low73 Ų73142.8 Ų142.875%0.75377%0.77SS**  trans-176.949.6178.100000119.8
741R32.2Very low33.5Very low227 Ų227144.4 Ų144.486%0.85777%0.771SS**  trans22.6132.1149.2-72.8-177.3177.1128.2-1.1120.8
742N32.5Very low33.5Very low130 Ų130143.8 Ų143.870%0.69577%0.766SS**  trans72132.6132.4-69.448.7000118.4
743E36.8Very low33.3Very low169 Ų169146.6 Ų146.679%0.7977%0.768SS**  cis-144.7-173.6-0.7-56.1-159.7139.400112.2
744S30.8Very low33.1Very low101 Ų101144.9 Ų144.971%0.70676%0.759SS**  trans-63.2165.4170.755.20000113.8
745I36.5Very low33.4Very low159 Ų159143 Ų14382%0.81576%0.755SS**  -165.715092.1-88.1155.1000110.7
746S31.8Very low33.4Very low100 Ų100141.2 Ų141.270%0.69975%0.746SS**  trans-86.2153.1179.3-62.80000114.1R748S746-R748 PolarHBondContact O-N 2.88Å
747P40.2Very low33.9Very low126 Ų126142.1 Ų142.182%0.81875%0.75SS**  trans-74.4122.9171.630.5-33.4000111.6
748R32.3Very low34.2Very low129 Ų129136.7 Ų136.749%0.48774%0.739SS.*  trans-138.3145.5173.6-174171.6178.7-167.6-4.8112.2S746 F896S746-R748 PolarHBondContact O-N 2.88Å; R748-F896 VanDerWaalsContact NH2-CE1 3.3Å
749S34.4Very low34.3Very low98 Ų98135.8 Ų135.869%0.68574%0.735SS**  trans-53.2129.8-179.5560000116.7
750K34.4Very low34.5Very low196 Ų196134.6 Ų134.685%0.85272%0.724SS**  trans-172.2138.2151.7-101.6166.1-176.6-171.70106.1
751L26.2Very low34.5Very low154 Ų154138.4 Ų138.481%0.80672%0.724SS**  cis75.5131.623.6-141.6166.4000112.6
752S31.1Very low34.6Very low94 Ų94133.8 Ų133.866%0.65772%0.716SS**  trans71.4147.4-162.773.10000114.3
753E29.6Very low34.6Very low166 Ų166133.4 Ų133.478%0.77672%0.719SS**  cis178.2170.3-33.5-111.7163.3143.300108
754L32.4Very low34.5Very low147 Ų147129.2 Ų129.277%0.7772%0.721SS**  trans65.5129.7167.8-58.8145.7000115.5
755N38.2Very low34.6Very low138 Ų138131.4 Ų131.474%0.73873%0.725SS**  cis-142.5142.728.4-69.3-76.9000109.7
756N34.4Very low34.4Very low130 Ų130133.4 Ų133.470%0.69572%0.724SS**  cis80.8136.142.4-170.957.9000113
757P42.9Very low34.6Very low97 Ų97135.6 Ų135.663%0.6372%0.724SS**  cis-104.9-139.6-5.723.60.2000110.8
758T38.3Very low34.2Very low101 Ų101136.1 Ų136.162%0.6272%0.72SS**  cis-164.6150.66.5-15.60000111.2
759H37.1Very low34.2Very low154 Ų154137.5 Ų137.571%0.71374%0.737SS**  trans55141.3158.4-66.6-61.8000121.4
760Q36.3Very low34.4Very low138 Ų138137.1 Ų137.165%0.64573%0.732SS**  cis-172150.2-21.2-134.3-179.113.600109.8
761M36.9Very low34.2Very low152 Ų152136.4 Ų136.475%0.74973%0.73SS**  trans60.5147.6158.1-56.3-51.8-177.900119.4
762N33.5Very low34.5Very low130 Ų130134.8 Ų134.870%0.69573%0.727SS**  cis-158.3157.5-25.9-164.719.2000109.9
763T33.2Very low34.6Very low123 Ų123137.4 Ų137.476%0.75573%0.733SS**  trans16120.8161.950.30000120.8
764G34.7Very low34.7Very low80 Ų80140 Ų14083%0.82574%0.737SS**  trans-156.622.3-178.800000120.5
765N32.5Very low35Very low148 Ų148138.3 Ų138.379%0.79174%0.735SS**  trans40124.6157.8-95-3.6000123.2
766Y31.4Very low34.7Very low201 Ų201141.4 Ų141.479%0.78874%0.742SS**  trans76.2107.6151.1-79-94.9000122.9
767M35.8Very low34.6Very low146 Ų146141.5 Ų141.572%0.71975%0.747SS**  67.791.5129.6-71-69162.700122.4
768N31.8Very low34.2Very low137 Ų137142.4 Ų142.473%0.73376%0.756SS**  53.197.5116.4-67.1-8.8000121.3
769N32.8Very low33.7Very low158 Ų158144.7 Ų144.785%0.84576%0.764SS**  -173.5171.4129.6-111.4-38.2000109.4
770P38.5Very low33.5Very low89 Ų89143 Ų14358%0.57877%0.765SS**  cis-136-172.5-11.823.22.7000114.5
771F29.5Very low33.2Very low181 Ų181142.3 Ų142.379%0.79477%0.766SS**  trans77.7151.2157-68.8-67.2000122.4
772T33.6Very low33Very low121 Ų121145.2 Ų145.274%0.74277%0.77SS**  trans62.5145.8161.948.70000118.4
773N34Very low32.7Very low149 Ų149148.8 Ų148.880%0.79778%0.775SS**  cis-147.2151.93.7-114.8-22.9000111.8
774Y31Very low32.9Very low221 Ų221148.9 Ų148.987%0.86778%0.776SS**  trans-83.3155.1158.8-103.7-84.6000109.2
775P38.9Very low32.7Very low110 Ų110151.4 Ų151.471%0.71477%0.77SS**  -150.1148.3105.536.3-19.1000117.3
776F32Very low32.6Very low204 Ų204153.1 Ų153.190%0.89577%0.767SS**  trans43.5132142.3-76.7-96.2000123.8
777V31.9Very low32.6Very low132 Ų132150.3 Ų150.380%0.877%0.765SS**  trans-103.6145.4163176.80000109.3
778S33.8Very low32.7Very low115 Ų115149.7 Ų149.780%0.80477%0.77SS**  trans-110141.9164.6-67.50000110.7
779N28.5Very low32.8Very low149 Ų149147.8 Ų147.880%0.79777%0.767SS**  trans-63156.9172.7-57.5-60.4000110.1
780T33.6Very low32.9Very low119 Ų119146.5 Ų146.573%0.7377%0.768SS**  -172.2161.169.3370000113.9
781N30.2Very low32.8Very low124 Ų124147 Ų14766%0.66377%0.773SS**  trans20.7130.7145.2-43.3-22.6000118.9
782Y31.8Very low33Very low212 Ų212148.8 Ų148.883%0.83178%0.776SS**  -171.2-179.475.1-106.9-77.1000114.4
783Y28Very low33.1Very low206 Ų206150.9 Ų150.981%0.80878%0.782SS**  trans-51.6152.2174-83.6-116.3000114
784T35.9Very low33.2Very low125 Ų125152 Ų15277%0.76778%0.782SS**  -173.5157.888290000113.7
785N32.2Very low33.4Very low132 Ų132147.2 Ų147.271%0.70677%0.772SS**  trans22122.4153.7-66.12.3000120.8
786Y29.6Very low33.3Very low185 Ų185149.9 Ų149.973%0.72577%0.773SS**  81.5131.968.2-91.9-72.9000114.8
787N30.5Very low33.4Very low142 Ų142147.6 Ų147.676%0.75977%0.769SS**  trans69.4146.6174.7-54.2-14.8000114.8
788T38.5Very low33.6Very low133 Ų133146.4 Ų146.482%0.81677%0.773SS**  cis-146175.69.4-21.80000111.9
789S33.9Very low33.7Very low97 Ų97144.7 Ų144.768%0.67877%0.774SS**  trans-54149-170.8-44.90000117.8
790P36.1Very low34.1Very low131 Ų131143.7 Ų143.785%0.85177%0.773SS**  trans-87105.5168.633.8-30.8000111.9
791S35.4Very low34.3Very low99 Ų99144.8 Ų144.869%0.69277%0.77SS**  trans-145.892.1174-65.40000111.5
792Y34.6Very low34.3Very low218 Ų218148.6 Ų148.686%0.85578%0.775SS**  trans-144.786.8167.7-97-76.5000111.1
793L35Very low34.6Very low166 Ų166145 Ų14587%0.86978%0.775SS**  trans-127.9159.4150.1-94173.4000107
794Q35.5Very low34.9Very low171 Ų171141.8 Ų141.880%0.79977%0.77SS**  trans68.1110-173-133.168.57.200115.2
795N36.9Very low34.9Very low121 Ų121143.6 Ų143.665%0.64778%0.775SS**  trans-163.9128.1146.1-103.4-20.6000110.6
796F35.2Very low35Very low167 Ų167144.9 Ų144.973%0.73278%0.782SS**  trans37.7115.7157.3-62.9-96.5000119.6
797L34.2Very low35.4Very low155 Ų155139.7 Ų139.781%0.81279%0.785SS**  82.2142.460.9-76.7169.1000115.1
798A36.2Very low35.5Very low107 Ų107140.3 Ų140.388%0.88479%0.788SS**  trans70.2134.6175.300000117.5
799G36.7Very low35.6Very low80 Ų80141.1 Ų141.183%0.82579%0.788SS**  trans155.358.9-178.600000114.2
800T36.4Very low35.8Very low127 Ų127142 Ų14278%0.77978%0.784SS**  trans-78.2142.4-177.443.20000113.4
801H37.2Very low35.8Very low143 Ų143142.2 Ų142.266%0.66278%0.778SS**  174.4133.2123.5-104-135.4000113.8
802R31.3Very low35.9Very low204 Ų204143.3 Ų143.377%0.7779%0.786SS**  trans32.4143.5137.5-42.5-177.9-161.5-146.6-0.1119.3
803T36.9Very low36.1Very low137 Ų137136.9 Ų136.984%0.8478%0.778SS**  cis-157.8161.641.3-44.10000112.7
804I34.2Very low36.3Very low137 Ų137134.7 Ų134.770%0.70377%0.772SS**  trans-87.4148.5179.8-62.6152.4000111.1
805N37.1Very low36.3Very low163 Ų163133.5 Ų133.587%0.87277%0.771SS**  trans-168.1149.3134.2-99.9-17.6000113.2
806N32.9Very low36.3Very low160 Ų160132.2 Ų132.286%0.85677%0.771SS**  trans-97.6160.7-175.5-63.5-23.3000112.2
807G39Very low36.1Very low76 Ų76129.5 Ų129.578%0.78477%0.772SS**  trans-156.3115.6164.200000110.7
808N32.7Very low36.2Very low154 Ų154130 Ų13082%0.82477%0.774SS**  trans-84150.1172.3-87.5-13.3000110.4
809D40.9Very low36.4Very low151 Ų151131 Ų13181%0.80777%0.769SS**  trans174.3154.6139.1-90.9-25.5000109.9
810N38.1Very low36.3Very low114 Ų114133.5 Ų133.561%0.6176%0.764SS**  cis-168.9135.2-45-123.6-44.3000109.2
811N36.1Very low36.3Very low136 Ų136131.8 Ų131.873%0.72776%0.757SS**  trans65.4138.6155.9-60-48.1000124.2
812S36.5Very low36.3Very low122 Ų122130.1 Ų130.185%0.85376%0.761SS**  trans75148.2152.979.30000118.5
813A38.5Very low36.7Very low83 Ų83126.3 Ų126.369%0.68676%0.763SS**  cis-152.1141.66.500000115.1
814V39.8Very low37.1Very low121 Ų121125.7 Ų125.773%0.73376%0.761SS**  trans68105.1132.3177.70000120.7
815N36.2Very low37Very low146 Ų146124.6 Ų124.678%0.78176%0.761SS**  trans63.2150.5130.3-59.22.4000121.1
816S35.9Very low37Very low94 Ų94123 Ų12366%0.65775%0.753SS**  cis-161158.4-2.7-1260000113.7
817C31.8Very low37Very low110 Ų110122.8 Ų122.874%0.74375%0.751SS**  trans54.7106.9149.3-59.80000120.7
818L35.7Very low37Very low164 Ų164126.5 Ų126.586%0.85975%0.752SS**  -156.1133103.1-134.774.5000113.6
819V41.5Very low37.2Very low129 Ų129125.3 Ų125.378%0.78275%0.745SS**  trans-4.4142.4143.4-178.20000116.8
820D34.1Very low36.9Very low133 Ų133123.8 Ų123.871%0.71174%0.737SS**  cis-173.2163.2-17.4-167.9-17.8000106.9
821S36.2Very low36.9Very low90 Ų90125 Ų12563%0.62974%0.744SS**  trans47.5104.6157.3-69.10000119
822S37.8Very low36.8Very low108 Ų108125.4 Ų125.476%0.75574%0.744SS**  84.3130.981-700000114.2
823P38.6Very low36.9Very low124 Ų124127 Ų12781%0.80574%0.738SS**  trans-85.6147.2-178.934.9-34.5000112.5
824P45.4Very low36.6Very low125 Ų125128.4 Ų128.481%0.81273%0.734SS**  trans-90.1131.2177.333.7-32.5000113.3
825T33.2Very low36.6Very low113 Ų113129.3 Ų129.369%0.69373%0.73SS**  trans-110.5169.7144.751.70000108.6
826D36.1Very low36.5Very low131 Ų131128.1 Ų128.170%0.70172%0.724SS**  trans72.7106.4157.2-41.2-45.1000120
827D32.6Very low36.5Very low155 Ų155129.4 Ų129.483%0.82972%0.723SS**  trans63.5165.7132.2-61.1-20.3000125
828I39.4Very low36.7Very low153 Ų153130 Ų13079%0.78572%0.719SS**  trans97.5102.2157.6-51.6-176.8000119.7
829N37.4Very low36.7Very low129 Ų129128.2 Ų128.269%0.6971%0.71SS**  trans52.7129.4138.7-63.836000125.5
830D34.8Very low36.5Very low120 Ų120130.3 Ų130.364%0.64271%0.712SS**  43.1113.7125.8-40.6-35.9000122
831N36.7Very low36.6Very low140 Ų140128.6 Ų128.675%0.74971%0.71SS**  175.3123.698-96.7-73.8000116.9
832I34.6Very low36.6Very low143 Ų143129.8 Ų129.873%0.73371%0.713SS**  trans18101.5136.7-43175.6000120.8
833H38.8Very low36.4Very low157 Ų157132.6 Ų132.673%0.72772%0.718SS**  -167.7114.7124.2-120.366.6000109.4
834N32.8Very low36.2Very low111 Ų111134.3 Ų134.359%0.59472%0.715SS**  71.194.862.8-177.539000114.8
835Q38Very low35.8Very low141 Ų141133.2 Ų133.266%0.65971%0.711SS**  -178.2143.6114.8-100.4-175.943.100112.5
836N34.8Very low35.9Very low120 Ų120134 Ų13464%0.64271%0.711SS**  trans52.3135.6144.6-52-9.3000119.2
837N36Very low35.8Very low121 Ų121134.6 Ų134.665%0.64771%0.711SS**  cis-164.3161.63-92.4-7000105.8
838N36.4Very low36.1Very low124 Ų124135.6 Ų135.666%0.66371%0.714SS**  cis-166.7180-15.9-103.4-3.3000108
839N35.7Very low36Very low125 Ų125133.3 Ų133.367%0.66870%0.704SS**  trans65.6101.5171.7-63.844000114.6
840E36.6Very low35.9Very low173 Ų173133.1 Ų133.181%0.80870%0.701SS**  101.1136.779.6-88.5167158.300110.6
841S37.3Very low36Very low98 Ų98136.7 Ų136.769%0.68571%0.711SS**  cis-151.6133.8-2.1580000112.8
842V35.7Very low35.9Very low114 Ų114138.5 Ų138.569%0.69171%0.713SS**  trans61.8110.8134.6-179.90000118.9E844V842-E844 HydrophobicContact CG1-CB 3.82Å; V842-E844 HydrophobicContact CG1-CG 4.48Å
843I32.6Very low36Very low168 Ų168137.1 Ų137.186%0.86272%0.716SS**  trans-75.8130.6144.5-64.2162.8000107
844E35.4Very low36Very low159 Ų159137.1 Ų137.174%0.74372%0.72SS**  trans-132.1143.1169.4-150.8164.3-129.500111.9V842V842-E844 HydrophobicContact CG1-CB 3.82Å; V842-E844 HydrophobicContact CG1-CG 4.48Å
845S36.8Very low36.3Very low102 Ų102136.5 Ų136.571%0.71372%0.724SS**  trans-117.4128-176.2-64.30000110.4
846N34.7Very low36.4Very low130 Ų130137 Ų13770%0.69573%0.731SS**  trans-135.9109.1165.4-72.1-71.2000106.4
847M35.1Very low36.6Very low143 Ų143136.2 Ų136.270%0.70473%0.732SS**  64.4102.357.6-168.8175.6171.700113D849M847-D849 VanDerWaalsContact CE-OD2 3.24Å; M847-D849 WeakPolarHBondContact CE-OD2 3.17Å
848I37.5Very low36.6Very low176 Ų176137.5 Ų137.590%0.90374%0.737SS**  trans-137.1144.7155.3-66.9-171.8000108.2
849D38.1Very low36.7Very low105 Ų105138 Ų13856%0.56175%0.746SS**  trans-104.7150.4-157.5-95.9-38.3000117M847M847-D849 VanDerWaalsContact CE-OD2 3.24Å; M847-D849 WeakPolarHBondContact CE-OD2 3.17Å
850I35.3Very low36.8Very low125 Ų125136.7 Ų136.764%0.64175%0.746SS**  trans41.7108.4136.5-45.4159.6000119.2
851K36.4Very low36.8Very low196 Ų196133.6 Ų133.685%0.85274%0.743SS**  166.3147.1128.3-91.8149.8-161.61690109.4
852K36Very low37.3Very low178 Ų178134.1 Ų134.177%0.77474%0.744SS**  cis171.3153.6-19-118.7-171.9179-174.40103.9
853S36.2Very low37.3Very low114 Ų114135.8 Ų135.880%0.79775%0.748SS**  trans69.3145.1-17977.90000115.3
854L38.8Very low37.5Very low157 Ų157133.1 Ų133.182%0.82274%0.744SS**  cis-115.2163.56.1-79.584.2000114.2
855S39.1Very low37.4Very low97 Ų97130 Ų13068%0.67875%0.746SS**  trans-32.1139.5171.645.60000117.7
856L39.5Very low37.6Very low153 Ų153129.3 Ų129.380%0.80175%0.746SS**  63.3147.760.2-70.3176.1000114.7
857P40.1Very low37.7Very low102 Ų102129.4 Ų129.466%0.66275%0.752SS**  cis-139.9157.8-10.437.2-17.7000118.1
858I35.2Very low37.9Very low148 Ų148127.3 Ų127.376%0.75975%0.751SS**  trans35.7124.8131.1-50.1161.5000121.3
859T38.1Very low37.9Very low136 Ų136124 Ų12483%0.83474%0.743SS**  -161.1136126.436.70000114.3
860S37.8Very low37.9Very low96 Ų96123.6 Ų123.667%0.67175%0.749SS**  trans-23.8142.8161.749.30000119.2
861S37.7Very low38.1Very low109 Ų109122.3 Ų122.376%0.76275%0.751SS**  60.8151.463.1-52.60000115
862P46.3Very low38.2Very low108 Ų108119.3 Ų119.370%0.70175%0.749SS**  cis-147.6-158.3-30.338.7-16.8000114.3
863I36.9Very low38.4Very low149 Ų149116 Ų11676%0.76475%0.746SS**  trans86.1129.4142.5-86.5175000122.3
864S37.1Very low38.3Very low113 Ų113115.5 Ų115.579%0.7974%0.742SS**  trans61.5167.7151.1-74.30000122.3
865A33.6Very low38.1Very low93 Ų93112.6 Ų112.677%0.76974%0.735SS**  cis-175.5134.6-3800000110.6
866A39.6Very low37.7Very low87 Ų87114.9 Ų114.972%0.71974%0.739SS**  trans-165.6131.5164.300000107.6
867T37.3Very low37.8Very low133 Ų133113.4 Ų113.482%0.81674%0.736SS**  57.6126.557.768.70000113.2
868S38.7Very low37.5Very low99 Ų99116.3 Ų116.369%0.69274%0.74SS**  cis-170.1176.41.650.50000109.9
869S38Very low37.5Very low105 Ų105113.2 Ų113.273%0.73474%0.737SS**  trans61.2148.4150.645.30000119.3
870S37.8Very low37.3Very low98 Ų98111.2 Ų111.269%0.68574%0.735SS**  cis-171-176.1-1151.20000109.6
871S39.6Very low37.2Very low98 Ų98111.7 Ų111.769%0.68574%0.738SS**  trans61.394.4147.750.70000120.4
872T38.6Very low37.1Very low132 Ų132111.2 Ų111.281%0.8173%0.734SS**  -39.8175.4127.354.30000115.2
873P40.6Very low36.7Very low110 Ų110113.6 Ų113.671%0.71474%0.74SS**  cis-140.6-174.5-4.131.1-6.8000116.3
874S34.4Very low36.7Very low102 Ų102112.7 Ų112.771%0.71374%0.737SS**  trans58.7124.5136.5-72.70000125.4
875S33.6Very low36.6Very low97 Ų97111.1 Ų111.168%0.67873%0.726SS**  85.2152.3122.876.30000122.7
876L31.8Very low36.7Very low144 Ų144114.1 Ų114.175%0.75472%0.724SS**  trans67.1150.2168.9-64.2150.7000113.7
877V40Very low36.6Very low122 Ų122114.9 Ų114.974%0.73972%0.72SS**  cis-14615834.4163.60000112.3
878H35.6Very low36.6Very low163 Ų163114.4 Ų114.476%0.75571%0.712SS**  trans-20170.1156.9-56.4-51.4000121.3
879A35.2Very low36.5Very low84 Ų84117.6 Ų117.669%0.69471%0.714SS**  cis178.3169.1-25.100000109.9
880A32.2Very low36.3Very low94 Ų94117.7 Ų117.778%0.77771%0.706SS**  trans61.7164.5166.600000115.4
881S37.4Very low36.1Very low105 Ų105120.9 Ų120.973%0.73471%0.708SS**  cis-146.7137.416.3-52.40000107.8
882S34.4Very low35.8Very low99 Ų99121.8 Ų121.869%0.69271%0.709SS**  102.4134.463.7-63.90000112.3
883L37.4Very low35.5Very low159 Ų159120.8 Ų120.883%0.83271%0.708SS**  trans72.7150164.9-54.2159.7000115.6
884N36.8Very low35Very low130 Ų130119.8 Ų119.870%0.69570%0.703SS**  cis-147.61587.7-138.4-3.6000115.4
885S35Very low34.9Very low80 Ų80121.2 Ų121.256%0.55970%0.701SS**  trans-6162.4150.465.70000121.8
886H37.7Very low34.9Very low156 Ų156123.4 Ų123.472%0.72270%0.699SS**  cis-145148.410.5-109.3-80.1000107.3
887T36Very low34.9Very low102 Ų102123 Ų12363%0.62669%0.693SS**  42148.591.899.50000116.1
888D38.7Very low34.4Very low124 Ų124121.7 Ų121.766%0.66369%0.689SS**  cis-162.817024.7-119-41.1000114.9
889F36.4Very low34.3Very low165 Ų165120.3 Ų120.372%0.72469%0.686SS**  trans71.7125.7151.9-84.4-136.7000119.8
890N34.1Very low34.1Very low107 Ų107127 Ų12757%0.57269%0.693SS**  73.2137.672.2-69.2-49.9000113.2
891K32.8Very low34Very low165 Ų165127.5 Ų127.572%0.71769%0.691SS**  cis-166.1162.26.8-121.6167.7-170.1172.70112.7
892T33.3Very low34Very low118 Ų118129.4 Ų129.472%0.72470%0.698SS**  trans52.8132.5149.153.90000123.1
893S32.5Very low34.3Very low111 Ų111130.9 Ų130.978%0.77670%0.704SS**  trans70.2156141.2-730000120.6
894S30.9Very low34.3Very low88 Ų88128.7 Ų128.762%0.61570%0.699SS**  cis-172.9160.7-28.358.80000110.8
895I31.8Very low34.1Very low132 Ų132129.4 Ų129.468%0.67770%0.703SS**  trans73.2121146.1-73.1162.5000120.2
896F32.3Very low34.2Very low143 Ų143134.5 Ų134.563%0.62772%0.717SS**  trans72.8115.5154-63.2-29.6000123.6R748R748-F896 VanDerWaalsContact NH2-CE1 3.3Å
897Q31.8Very low33.9Very low137 Ų137133.3 Ų133.364%0.6472%0.715SS**  31.7133.998.6-62.2174.8-11.800117.1
898S30.9Very low34Very low93 Ų93138 Ų13865%0.6573%0.727SS**  cis-174176.126.9-138.80000114.2
899I33.4Very low33.5Very low135 Ų135138.8 Ų138.869%0.69273%0.731SS**  trans78.4110.1150.9-68158.9000119.8
900R29.7Very low33.4Very low224 Ų224141.9 Ų141.985%0.84574%0.739SS**  trans55.9109138-71.6-171.2173.3-170.5-1.9123
901S31.8Very low33Very low104 Ų104141.6 Ų141.673%0.72775%0.746SS**  57.2118.1120.170.50000122.2
902T36.5Very low33.1Very low145 Ų145141.9 Ų141.989%0.8975%0.753SS**  -147.5158.2127.7190000111
903T40.2Very low33.2Very low131 Ų131141.4 Ų141.480%0.80475%0.751SS**  trans-74.5175.5170.446.90000111.3
904P38.8Very low33.8Very low113 Ų113142 Ų14273%0.73475%0.752SS**  cis-145.5-170.42144.6-24000117.7
905N32Very low34Very low145 Ų145143.3 Ų143.378%0.77576%0.756SS**  trans-25.4141.1162.2-49.9-33.7000116.3
906H37.2Very low34.2Very low186 Ų186144 Ų14486%0.86176%0.76SS**  -150136.3127.9-129.3-78.7000114.9
907I31.1Very low34.3Very low132 Ų132142.6 Ų142.668%0.67776%0.763SS**  trans-64.4141.5176-65151.4000111.2
908K37.7Very low34.5Very low200 Ų200143.6 Ų143.687%0.8777%0.768SS**  trans-158.3116.7143.9-108.4158.4-170.5177.30111.1
909N28.5Very low34.8Very low141 Ų141145.1 Ų145.175%0.75477%0.774SS**  trans-69.5146.1168.3-56-26.1000109.3
910Y33.7Very low35Very low229 Ų229145.8 Ų145.890%0.89878%0.777SS**  trans-153.4138.5134.4-97-64.4000110.7
911S26.9Very low35.3Very low102 Ų102141.1 Ų141.171%0.71377%0.769SS**  trans-78.2152.1171.744.60000111.4
912I35.1Very low35.6Very low170 Ų170142.1 Ų142.187%0.87277%0.766SS**  trans-163142.9143.8-100.2145.5000108.9
913T35.2Very low35.8Very low108 Ų108142.3 Ų142.366%0.66376%0.761SS**  trans-81.7149.3178.7430000112.4T915T913-T915 PolarHBondContact O-N 3.28Å
914P44.7Very low35.8Very low125 Ų125142.3 Ų142.381%0.81276%0.757SS**  trans-77.2100.916731.8-31.7000110.2I916P914-I916 PolarHBondContact O-N 2.94Å
915T34.7Very low35.7Very low115 Ų115144.2 Ų144.271%0.70676%0.761SS**  trans-76.6114169.1-48.10000109.1T913T913-T915 PolarHBondContact O-N 3.28Å
916I36.6Very low36.1Very low145 Ų145144.9 Ų144.974%0.74476%0.763SS**  trans-87.3115.1170.9-63.1174.7000108.1P914 E918P914-I916 PolarHBondContact O-N 2.94Å; I916-E918 HydrophobicContact CG2-CG 4.07Å
917T34.3Very low36.1Very low115 Ų115142.7 Ų142.771%0.70676%0.758SS**  trans-115.889.1173.2-52.50000108.7
918E35.6Very low36.3Very low158 Ų158144.8 Ų144.874%0.73877%0.769SS**  trans-94105.9170-73.6-167149.200110.3I916 I920I916-E918 HydrophobicContact CG2-CG 4.07Å; E918-I920 VanDerWaalsContact C-N 3.28Å; E918-I920 PolarHBondContact O-N 2.92Å
919T36.7Very low36.4Very low125 Ų125140.5 Ų140.577%0.76776%0.764SS**  trans-8075.7174.5-41.10000110.2N921T919-N921 PolarHBondContact O-N 3.31Å
920I37.2Very low37.2Very low148 Ų148137.1 Ų137.176%0.75975%0.751SS**  trans-65.9126.3168.5-59.6176.2000108.1E918E918-I920 VanDerWaalsContact C-N 3.28Å; E918-I920 PolarHBondContact O-N 2.92Å
921N37.8Very low37.5Very low127 Ų127131.6 Ų131.668%0.67974%0.737SS**  trans-140.6105.5174-142.79000111.1T919T919-N921 PolarHBondContact O-N 3.31Å
922N37.5Very low38.1Very low125 Ų125130.9 Ų130.967%0.66873%0.731SS**  trans59.3112.6154.6-51-27.5000119.7
923N39.6Very low39Very low148 Ų148127.5 Ų127.579%0.79172%0.719SS**  -154.1113121.4-94.3-54000110.7
924N41Very low39.9Very low131 Ų131126.9 Ų126.970%0.70171%0.71SS**  trans6190.7145.5-47.3-18.7000119.8
925D35.8Very low40.4Very low153 Ų153125.7 Ų125.782%0.81870%0.697SS**  49.5160.3118.4-60.1-52.5000124
926L42Very low41.6Very low159 Ų159124.3 Ų124.383%0.83269%0.686SS**  trans78.566.8166.6-57.9170000118.7
927N36.4Very low42.6Very low140 Ų140127 Ų12775%0.74969%0.686SS**  -173.1100.3120.9-107.8-72.3000112.7
928I35.9Very low44.1Very low177 Ų177126.1 Ų126.191%0.90868%0.677SS**  trans-120.194.6174.5-56.8178.9000109.4
929S39.2Very low45.4Very low110 Ų110123.4 Ų123.477%0.76967%0.667SS**SBendtrans-166.7-40.9163.5-166.20000113.2
930S44.1Very low46.9Very low69 Ų69122 Ų12248%0.48365%0.654SS.*THydrogen-bonded Turntrans-91.4-14.6-160.642.50000117.1
931N41.2Very low48.3Very low114 Ų114120.1 Ų120.161%0.6164%0.642SS**THydrogen-bonded Turntrans-83.4-10.3-172.6-81.3-24.5000115.6
932C39.5Very low49.6Very low87 Ų87119.3 Ų119.359%0.58863%0.634SS**Hα-helixtrans-72.6-47.4-176.2-1650000111.9I934 N935 D936C932-I934 VanDerWaalsContact C-N 3.31Å; C932-I934 PolarHBondContact O-N 3.27Å; C932-N935 PolarHBondContact O-N 3.12Å; C932-D936 PolarHBondContact O-N 3.45Å
933T54Low51.1Low98 Ų98119.7 Ų119.760%0.60163%0.632SS**Hα-helixtrans-70.4-20.8-175.754.10000114.7R937T933-R937 WeakPolarHBondContact O-CB 3.38Å; T933-R937 PolarHBondContact O-N 2.93Å; T933-R937 VanDerWaalsContact O-N 3.15Å
934I54.5Low52.6Low95 Ų95117.3 Ų117.349%0.48761%0.614SS.*Hα-helixtrans-74.3-44.6178-61.3177.8000110.5C932 R937 L938C932-I934 VanDerWaalsContact C-N 3.31Å; C932-I934 PolarHBondContact O-N 3.27Å; I934-R937 PolarHBondContact O-N 3.03Å; I934-L938 PolarHBondContact O-N 2.69Å
935N54.3Low53.6Low100 Ų100118.7 Ų118.754%0.53562%0.615SS.*Hα-helixtrans-67.4-39.4178.4-74.1-27.4000111.8C932 L938 N939C932-N935 PolarHBondContact O-N 3.12Å; N935-L938 PolarHBondContact O-N 3.06Å; N935-N939 PolarHBondContact O-N 3.12Å
936D59.4Low55Low87 Ų87116.3 Ų116.347%0.46560%0.601SS.*Hα-helixtrans-63.5-41.4174.1-69.7-22.2000112C932 N939 I940C932-D936 PolarHBondContact O-N 3.45Å; D936-N939 PolarHBondContact O-N 3.23Å; D936-I940 WeakPolarHBondContact O-CB 3.41Å; D936-I940 WeakPolarHBondContact O-CD1 3.42Å; D936-I940 VanDerWaalsContact O-CG1 3.25Å; D936-I940 WeakPolarHBondContact O-CG1 3.22Å; D936-I940 PolarHBondContact O-N 3.41Å
937R58.2Low56.2Low200 Ų200112 Ų11276%0.75558%0.581SS**Hα-helixtrans-62.8-40172.3-90-173.7160.4-163.7-4.6112.6T933 I934 I940 E941T933-R937 WeakPolarHBondContact O-CB 3.38Å; T933-R937 PolarHBondContact O-N 2.93Å; T933-R937 VanDerWaalsContact O-N 3.15Å; I934-R937 PolarHBondContact O-N 3.03Å; R937-I940 PolarHBondContact O-N 3.48Å; R937-E941 PolarHBondContact O-N 3.31Å
938L65.7Low57.6Low98 Ų98111.9 Ų111.951%0.51357%0.574SS.*Hα-helixtrans-63.5-45.6176.1-12180.7000111.4I934 N935 E941 Q942I934-L938 PolarHBondContact O-N 2.69Å; N935-L938 PolarHBondContact O-N 3.06Å; L938-E941 PolarHBondContact O-N 3.24Å; L938-Q942 WeakPolarHBondContact O-CB 3.29Å; L938-Q942 WeakPolarHBondContact O-CG 3.44Å; L938-Q942 PolarHBondContact O-N 3.11Å
939N63.8Low58.9Low100 Ų100106.4 Ų106.454%0.53555%0.552SS.*Hα-helixtrans-62-43.8176.3-87-23.8000111.7N935 D936 Q942 H943N935-N939 PolarHBondContact O-N 3.12Å; D936-N939 PolarHBondContact O-N 3.23Å; N939-Q942 PolarHBondContact O-N 3.44Å; N939-H943 WeakPolarHBondContact O-CB 3.27Å; N939-H943 PolarHBondContact O-N 3.41Å
940I68.5Low60.1Low95 Ų95105.2 Ų105.249%0.48754%0.537SS..Hα-helixtrans-63.5-42.5178.1-71.1165.1000111.5D936 R937 H943 K944D936-I940 WeakPolarHBondContact O-CB 3.41Å; D936-I940 WeakPolarHBondContact O-CD1 3.42Å; D936-I940 VanDerWaalsContact O-CG1 3.25Å; D936-I940 WeakPolarHBondContact O-CG1 3.22Å; D936-I940 PolarHBondContact O-N 3.41Å; R937-I940 PolarHBondContact O-N 3.48Å; I940-H943 PolarHBondContact O-N 2.96Å; I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CG 3.41Å; I940-K944 PolarHBondContact O-N 2.98Å
941E66Low61.4Low109 Ų109107.5 Ų107.551%0.50954%0.54SS..Hα-helixtrans-69.6-37.8175.6-72.4-56130.900112.5R937 L938 H943 K944 F945R937-E941 PolarHBondContact O-N 3.31Å; L938-E941 PolarHBondContact O-N 3.24Å; E941-H943 VanDerWaalsContact C-N 3.35Å; E941-H943 PolarHBondContact O-N 2.9Å; E941-K944 PolarHBondContact O-N 2.86Å; E941-K944 WeakPolarHBondContact OE1-CD 3.37Å; E941-K944 WeakPolarHBondContact OE1-CE 3.17Å; E941-K944 IonicContact OE1-NZ 2.65Å; E941-K944 PolarHBondContact OE1-NZ 3.22Å; E941-F945 WeakPolarHBondContact O-CB 3.4Å; E941-F945 PolarHBondContact O-N 3.04Å
942Q64.6Low62.6Low110 Ų110110.7 Ų110.751%0.51454%0.543SS..Hα-helixtrans-61.3-42.5171.2-74.1-175.728.400111.6L938 N939 K944 F945 L946L938-Q942 WeakPolarHBondContact O-CB 3.29Å; L938-Q942 WeakPolarHBondContact O-CG 3.44Å; L938-Q942 PolarHBondContact O-N 3.11Å; N939-Q942 PolarHBondContact O-N 3.44Å; Q942-K944 PolarHBondContact O-N 2.88Å; Q942-F945 PolarHBondContact O-N 3.2Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; Q942-L946 WeakPolarHBondContact O-CD1 3.34Å; Q942-L946 PolarHBondContact O-N 3.44Å
943H70Confident64Low133 Ų133111.9 Ų111.962%0.61654%0.54SS*.Hα-helixtrans-66.9-35.9178.3-135.5-79.6000112.5N939 I940 E941 T947N939-H943 WeakPolarHBondContact O-CB 3.27Å; N939-H943 PolarHBondContact O-N 3.41Å; I940-H943 PolarHBondContact O-N 2.96Å; E941-H943 VanDerWaalsContact C-N 3.35Å; E941-H943 PolarHBondContact O-N 2.9Å; H943-T947 WeakPolarHBondContact O-CB 3.42Å; H943-T947 WeakPolarHBondContact O-CG2 3.49Å; H943-T947 PolarHBondContact O-N 3.44Å; H943-T947 PolarHBondContact O-OG1 3.43Å
944K70Confident64.8Low99 Ų99114.8 Ų114.843%0.4354%0.544SS..Hα-helixtrans-65-37.3169.4-73.8172.2-172171.90112.3I940 E941 Q942 T947 K948I940-K944 HydrophobicContact CG2-CD 4.4Å; I940-K944 WeakPolarHBondContact O-CG 3.41Å; I940-K944 PolarHBondContact O-N 2.98Å; E941-K944 PolarHBondContact O-N 2.86Å; E941-K944 WeakPolarHBondContact OE1-CD 3.37Å; E941-K944 WeakPolarHBondContact OE1-CE 3.17Å; E941-K944 IonicContact OE1-NZ 2.65Å; E941-K944 PolarHBondContact OE1-NZ 3.22Å; Q942-K944 PolarHBondContact O-N 2.88Å; K944-T947 VanDerWaalsContact CA-OG1 3.32Å; K944-T947 WeakPolarHBondContact CA-OG1 3.34Å; K944-T947 PolarHBondContact O-OG1 2.89Å; K944-T947 VanDerWaalsContact O-OG1 3.13Å; K944-K948 WeakPolarHBondContact O-CB 3.49Å; K944-K948 WeakPolarHBondContact O-CG 3.28Å; K944-K948 PolarHBondContact O-N 3.35Å
945F62.8Low65.3Low160 Ų160115.9 Ų115.970%0.70255%0.548SS*.Hα-helixtrans-70.9-42.9178.7-150-83.6000111.3E941 Q942 S949E941-F945 WeakPolarHBondContact O-CB 3.4Å; E941-F945 PolarHBondContact O-N 3.04Å; Q942-F945 PolarHBondContact O-N 3.2Å; Q942-F945 VanDerWaalsContact O-N 3.13Å; F945-S949 WeakPolarHBondContact O-CB 3.34Å; F945-S949 PolarHBondContact O-N 3.47Å
946L64.2Low65.6Low103 Ų103116.8 Ų116.854%0.53955%0.552SS.*Hα-helixtrans-63.1-45.5173.7-97.166.6000112Q942 S949 N950Q942-L946 WeakPolarHBondContact O-CD1 3.34Å; Q942-L946 PolarHBondContact O-N 3.44Å; L946-S949 WeakPolarHBondContact O-CB 3.37Å; L946-S949 PolarHBondContact O-N 3.13Å; L946-N950 WeakPolarHBondContact O-CB 3.29Å; L946-N950 VanDerWaalsContact O-CG 3.25Å; L946-N950 PolarHBondContact O-N 3.3Å; L946-N950 PolarHBondContact O-OD1 2.98Å
947T67.3Low65.8Low68 Ų68118.3 Ų118.342%0.41756%0.559SS.*Hα-helixtrans-63.1-45177.343.30000112.1H943 K944 S949 N950 E951H943-T947 WeakPolarHBondContact O-CB 3.42Å; H943-T947 WeakPolarHBondContact O-CG2 3.49Å; H943-T947 PolarHBondContact O-N 3.44Å; H943-T947 PolarHBondContact O-OG1 3.43Å; K944-T947 VanDerWaalsContact CA-OG1 3.32Å; K944-T947 WeakPolarHBondContact CA-OG1 3.34Å; K944-T947 PolarHBondContact O-OG1 2.89Å; K944-T947 VanDerWaalsContact O-OG1 3.13Å; T947-S949 VanDerWaalsContact C-N 3.3Å; T947-S949 PolarHBondContact O-N 3.4Å; T947-N950 PolarHBondContact O-N 2.87Å; T947-E951 WeakPolarHBondContact O-CG 3.35Å; T947-E951 PolarHBondContact O-N 2.82Å
948K66.5Low65.9Low138 Ų138113.2 Ų113.260%0.655%0.547SS*.Hα-helixtrans-65.8-29173.4-74.5-177.3176.2-178.80113.8K944 R952K944-K948 WeakPolarHBondContact O-CB 3.49Å; K944-K948 WeakPolarHBondContact O-CG 3.28Å; K944-K948 PolarHBondContact O-N 3.35Å; K948-R952 WeakPolarHBondContact O-CB 3.5Å; K948-R952 WeakPolarHBondContact O-CG 3.49Å; K948-R952 PolarHBondContact O-N 3.15Å; K948-R952 VanDerWaalsContact O-N 3.12Å
949S63.5Low65.4Low61 Ų61113.1 Ų113.143%0.42755%0.547SS..Hα-helixtrans-67.7-49171.6-164.90000110.5F945 L946 T947 E951 R952 E953F945-S949 WeakPolarHBondContact O-CB 3.34Å; F945-S949 PolarHBondContact O-N 3.47Å; L946-S949 WeakPolarHBondContact O-CB 3.37Å; L946-S949 PolarHBondContact O-N 3.13Å; T947-S949 VanDerWaalsContact C-N 3.3Å; T947-S949 PolarHBondContact O-N 3.4Å; S949-E951 VanDerWaalsContact C-N 3.32Å; S949-E951 PolarHBondContact O-N 3.26Å; S949-R952 PolarHBondContact O-N 3.45Å; S949-E953 WeakPolarHBondContact O-CB 3.4Å; S949-E953 PolarHBondContact O-N 3.29Å
950N64.5Low65Low86 Ų86113.9 Ų113.946%0.4655%0.547SS..Hα-helixtrans-65.9-32179.3-67.4-0000112.5L946 T947 K954L946-N950 WeakPolarHBondContact O-CB 3.29Å; L946-N950 VanDerWaalsContact O-CG 3.25Å; L946-N950 PolarHBondContact O-N 3.3Å; L946-N950 PolarHBondContact O-OD1 2.98Å; T947-N950 PolarHBondContact O-N 2.87Å; N950-K954 WeakPolarHBondContact O-CB 3.32Å; N950-K954 VanDerWaalsContact O-CG 3.29Å; N950-K954 WeakPolarHBondContact O-CG 3.45Å; N950-K954 PolarHBondContact O-N 3.17Å
951E71.8Confident64.1Low117 Ų117111.9 Ų111.955%0.54754%0.541SS..Hα-helixtrans-68.2-43.4171.4-76.6-176.715700112T947 S949 K954 Q955T947-E951 WeakPolarHBondContact O-CG 3.35Å; T947-E951 PolarHBondContact O-N 2.82Å; S949-E951 VanDerWaalsContact C-N 3.32Å; S949-E951 PolarHBondContact O-N 3.26Å; E951-K954 PolarHBondContact O-N 3.2Å; E951-Q955 WeakPolarHBondContact O-CB 3.32Å; E951-Q955 VanDerWaalsContact O-CG 3.31Å; E951-Q955 WeakPolarHBondContact O-CG 3.4Å; E951-Q955 PolarHBondContact O-N 2.76Å
952R66.3Low63.3Low181 Ų181113.2 Ų113.268%0.68355%0.545SS*.Hα-helixtrans-64.9-39173.9-80.1177.6168.4169.1-3.3112.3K948 S949 Q955 L956K948-R952 WeakPolarHBondContact O-CB 3.5Å; K948-R952 WeakPolarHBondContact O-CG 3.49Å; K948-R952 PolarHBondContact O-N 3.15Å; K948-R952 VanDerWaalsContact O-N 3.12Å; S949-R952 PolarHBondContact O-N 3.45Å; R952-Q955 PolarHBondContact O-N 3.06Å; R952-L956 WeakPolarHBondContact O-CB 3.46Å; R952-L956 VanDerWaalsContact O-CG 3.28Å; R952-L956 WeakPolarHBondContact O-CG 3.33Å; R952-L956 PolarHBondContact O-N 3.46Å
953E68.2Low62.4Low111 Ų111114.4 Ų114.452%0.51955%0.551SS.*Hα-helixtrans-66.7-43.1175.9-168.8161.8-137.100110.8S949 Q955 L956 L957S949-E953 WeakPolarHBondContact O-CB 3.4Å; S949-E953 PolarHBondContact O-N 3.29Å; E953-Q955 PolarHBondContact O-N 3.43Å; E953-L956 PolarHBondContact O-N 2.92Å; E953-L957 HydrophobicContact CG-CD1 3.88Å; E953-L957 VanDerWaalsContact O-CD1 3.23Å; E953-L957 WeakPolarHBondContact O-CD1 3.25Å; E953-L957 PolarHBondContact O-N 3.22Å
954K71.7Confident61.2Low159 Ų159114.7 Ų114.769%0.69156%0.556SS**Hα-helixtrans-60.1-41169.8-79179.4177.6-176.20112.9N950 E951 L957 N958N950-K954 WeakPolarHBondContact O-CB 3.32Å; N950-K954 VanDerWaalsContact O-CG 3.29Å; N950-K954 WeakPolarHBondContact O-CG 3.45Å; N950-K954 PolarHBondContact O-N 3.17Å; E951-K954 PolarHBondContact O-N 3.2Å; K954-L957 PolarHBondContact O-N 3.24Å; K954-N958 WeakPolarHBondContact O-CB 3.33Å; K954-N958 PolarHBondContact O-N 3.43Å
955Q65Low59.8Low119 Ų119116.6 Ų116.656%0.55657%0.57SS**Hα-helixtrans-65.8-40.4175.4-74.9172.77.300111.8E951 R952 E953 N958 N959E951-Q955 WeakPolarHBondContact O-CB 3.32Å; E951-Q955 VanDerWaalsContact O-CG 3.31Å; E951-Q955 WeakPolarHBondContact O-CG 3.4Å; E951-Q955 PolarHBondContact O-N 2.76Å; R952-Q955 PolarHBondContact O-N 3.06Å; E953-Q955 PolarHBondContact O-N 3.43Å; Q955-N958 PolarHBondContact O-N 2.89Å; Q955-N959 VanDerWaalsContact O-CB 3.32Å; Q955-N959 WeakPolarHBondContact O-CB 3.41Å; Q955-N959 PolarHBondContact O-N 3.28Å; Q955-N959 PolarHBondContact O-OD1 2.98Å
956L60.5Low58.7Low119 Ų119116.5 Ų116.562%0.62357%0.572SS**Hα-helixtrans-64.7-43.3174.7-73.9166.1000111.7R952 E953 N959 H960R952-L956 WeakPolarHBondContact O-CB 3.46Å; R952-L956 VanDerWaalsContact O-CG 3.28Å; R952-L956 WeakPolarHBondContact O-CG 3.33Å; R952-L956 PolarHBondContact O-N 3.46Å; E953-L956 PolarHBondContact O-N 2.92Å; L956-N959 PolarHBondContact O-N 3.29Å; L956-H960 WeakPolarHBondContact O-CB 3.49Å; L956-H960 PolarHBondContact O-N 3.32Å
957L62Low57.6Low118 Ų118116.4 Ų116.462%0.61858%0.577SS**Hα-helixtrans-62.8-41.1172.4-92104.5000112.2E953 K954 N959 S961E953-L957 HydrophobicContact CG-CD1 3.88Å; E953-L957 VanDerWaalsContact O-CD1 3.23Å; E953-L957 WeakPolarHBondContact O-CD1 3.25Å; E953-L957 PolarHBondContact O-N 3.22Å; K954-L957 PolarHBondContact O-N 3.24Å; L957-N959 VanDerWaalsContact C-N 3.31Å; L957-N959 PolarHBondContact O-N 3.3Å; L957-S961 VanDerWaalsContact O-CB 3.24Å; L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.49Å; L957-S961 PolarHBondContact O-OG 3.28Å; L957-S961 VanDerWaalsContact O-OG 3.14Å
958N60.5Low56.2Low94 Ų94120.1 Ų120.150%0.50359%0.593SS.*Hα-helixtrans-76.4-18.3-178.2-151.16.2000113.1K954 Q955 S961 K962K954-N958 WeakPolarHBondContact O-CB 3.33Å; K954-N958 PolarHBondContact O-N 3.43Å; Q955-N958 PolarHBondContact O-N 2.89Å; N958-S961 WeakPolarHBondContact CA-OG 3.48Å; N958-S961 PolarHBondContact O-OG 2.71Å; N958-K962 WeakPolarHBondContact O-CD 3.3Å; N958-K962 WeakPolarHBondContact O-CG 3.44Å
959N55.3Low54.8Low95 Ų95118.6 Ų118.651%0.50859%0.591SS.*Hα-helixtrans-85.9-45.7170.7-70.2-3.6000110.8Q955 L956 L957 S961 K962 E963Q955-N959 VanDerWaalsContact O-CB 3.32Å; Q955-N959 WeakPolarHBondContact O-CB 3.41Å; Q955-N959 PolarHBondContact O-N 3.28Å; Q955-N959 PolarHBondContact O-OD1 2.98Å; L956-N959 PolarHBondContact O-N 3.29Å; L957-N959 VanDerWaalsContact C-N 3.31Å; L957-N959 PolarHBondContact O-N 3.3Å; N959-S961 VanDerWaalsContact C-N 3.29Å; N959-S961 PolarHBondContact O-N 3.43Å; N959-K962 WeakPolarHBondContact O-CA 3.36Å; N959-K962 WeakPolarHBondContact O-CB 3.24Å; N959-K962 PolarHBondContact O-N 3.25Å; N959-E963 PolarHBondContact O-N 3.37Å
960H55.2Low53.6Low117 Ų117124 Ų12454%0.54262%0.615SS.*Hα-helixtrans-63-33.6171.7-95.10.2000112.3L956 K962 E963 L964L956-H960 WeakPolarHBondContact O-CB 3.49Å; L956-H960 PolarHBondContact O-N 3.32Å; H960-K962 PolarHBondContact O-N 3.44Å; H960-E963 IonicContact CE1-OE2 2.58Å; H960-E963 PolarHBondContact CE1-OE2 2.95Å; H960-E963 IonicContact CG-OE2 3.73Å; H960-E963 IonicContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact O-N 2.95Å; H960-L964 WeakPolarHBondContact O-CB 3.35Å; H960-L964 WeakPolarHBondContact O-CD1 3.34Å; H960-L964 WeakPolarHBondContact O-CG 3.3Å; H960-L964 PolarHBondContact O-N 3.44Å
961S49.9Very low52.1Low52 Ų52124.8 Ų124.836%0.36463%0.627SS.*Hα-helixtrans-73.70.4172.273.30000113.9L957 N958 N959 I965L957-S961 VanDerWaalsContact O-CB 3.24Å; L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.49Å; L957-S961 PolarHBondContact O-OG 3.28Å; L957-S961 VanDerWaalsContact O-OG 3.14Å; N958-S961 WeakPolarHBondContact CA-OG 3.48Å; N958-S961 PolarHBondContact O-OG 2.71Å; N959-S961 VanDerWaalsContact C-N 3.29Å; N959-S961 PolarHBondContact O-N 3.43Å; S961-I965 VanDerWaalsContact O-CD1 3.24Å; S961-I965 WeakPolarHBondContact O-CD1 3.47Å; S961-I965 VanDerWaalsContact O-CG1 3.28Å; S961-I965 WeakPolarHBondContact O-CG1 3.49Å
962K49.5Very low50.4Low137 Ų137123.8 Ų123.860%0.59662%0.624SS**Hα-helixtrans-105.4-41.3168-71.7176.7-179.6-172.80110.9N958 N959 H960 L964 I965N958-K962 WeakPolarHBondContact O-CD 3.3Å; N958-K962 WeakPolarHBondContact O-CG 3.44Å; N959-K962 WeakPolarHBondContact O-CA 3.36Å; N959-K962 WeakPolarHBondContact O-CB 3.24Å; N959-K962 PolarHBondContact O-N 3.25Å; H960-K962 PolarHBondContact O-N 3.44Å; K962-L964 PolarHBondContact O-N 3.48Å; K962-I965 CarbonylContact O-C 3.59Å; K962-I965 PolarHBondContact O-N 3.07Å
963E45.8Very low49Very low136 Ų136121.1 Ų121.164%0.63663%0.628SS**Hα-helixtrans-62.9-17.1168.4-66.4176.8125.900113.4N959 H960N959-E963 PolarHBondContact O-N 3.37Å; H960-E963 IonicContact CE1-OE2 2.58Å; H960-E963 PolarHBondContact CE1-OE2 2.95Å; H960-E963 IonicContact CG-OE2 3.73Å; H960-E963 IonicContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact ND1-OE2 2.93Å; H960-E963 PolarHBondContact O-N 2.95Å
964L43.7Very low47.3Very low138 Ų138126.6 Ų126.672%0.72365%0.645SS**THydrogen-bonded Turntrans-102.16.9173.8-67.9167.8000113.6H960 K962H960-L964 WeakPolarHBondContact O-CB 3.35Å; H960-L964 WeakPolarHBondContact O-CD1 3.34Å; H960-L964 WeakPolarHBondContact O-CG 3.3Å; H960-L964 PolarHBondContact O-N 3.44Å; K962-L964 PolarHBondContact O-N 3.48Å
965I42.3Very low45.6Very low140 Ų140127.9 Ų127.972%0.71865%0.651SS**SBendtrans-132.547.8173.7-46178.3000109.4S961 K962S961-I965 VanDerWaalsContact O-CD1 3.24Å; S961-I965 WeakPolarHBondContact O-CD1 3.47Å; S961-I965 VanDerWaalsContact O-CG1 3.28Å; S961-I965 WeakPolarHBondContact O-CG1 3.49Å; K962-I965 CarbonylContact O-C 3.59Å; K962-I965 PolarHBondContact O-N 3.07Å
966E39.4Very low44.1Very low158 Ų158126.8 Ų126.874%0.73866%0.656SS**SBendtrans-108.9150.2153-71.7-167.215800108.3
967P40.1Very low42.8Very low101 Ų101128.8 Ų128.866%0.65667%0.667SS**  trans-74.4147.1-160.629.5-36.4000114D969P967-D969 WeakPolarHBondContact CB-OD2 3.49Å; P967-D969 PolarHBondContact O-N 3.35Å
968I39.5Very low41.6Very low145 Ų145130.8 Ų130.874%0.74468%0.677SS**  trans-84.950.7-178.6-44.3178.4000110.5C971I968-C971 HydrophobicContact CG2-CB 4.4Å
969D35.9Very low40.2Very low106 Ų106131.9 Ų131.957%0.56769%0.692SS**  trans-90.1-30.6-173.8-72.3-34.3000113.3P967 C971 I972P967-D969 WeakPolarHBondContact CB-OD2 3.49Å; P967-D969 PolarHBondContact O-N 3.35Å; D969-C971 PolarHBondContact O-N 2.9Å; D969-I972 PolarHBondContact O-N 3.17Å
970D37.8Very low39.3Very low174 Ų174135.3 Ų135.393%0.9371%0.709SS**THydrogen-bonded Turntrans-718.2179.6-89-16.5000114.9
971C34.7Very low38.4Very low104 Ų104137.2 Ų137.270%0.70372%0.723SS**THydrogen-bonded Turntrans-121.85.9-176.4-151.20000114.6I968 D969I968-C971 HydrophobicContact CG2-CB 4.4Å; D969-C971 PolarHBondContact O-N 2.9Å
972I36.1Very low37.9Very low96 Ų96142.7 Ų142.749%0.49275%0.749SS.*SBendtrans-100.7-23.6-173.5-64.7179.2000113.1D969 Y974 K975D969-I972 PolarHBondContact O-N 3.17Å; I972-Y974 PolarHBondContact O-N 2.93Å; I972-K975 PolarHBondContact O-N 3.5Å
973T36.4Very low37.5Very low124 Ų124143.3 Ų143.376%0.76176%0.759SS**THydrogen-bonded Turntrans-62.9-9.6-173.1-35.60000115.6
974Y32.5Very low36.8Very low226 Ų226143.8 Ų143.889%0.88677%0.765SS**THydrogen-bonded Turntrans-109.312.6175.8-102-78000114.9I972I972-Y974 PolarHBondContact O-N 2.93Å
975K35.5Very low36.4Very low186 Ų186144 Ų14481%0.80977%0.773SS**SBendtrans-117.12.4-178.8-130.5179.8-178.3-175.70115.8I972I972-K975 PolarHBondContact O-N 3.5Å
976S33.6Very low36Very low96 Ų96143.6 Ų143.667%0.67178%0.777SS**SBendtrans-104.731.5-172.7-49.60000114.4
977L33.7Very low35.9Very low162 Ų162143.4 Ų143.485%0.84878%0.779SS**SBendtrans-124.77.7-179.1-75.6174.7000114.6
978I36.6Very low35.6Very low159 Ų159145 Ų14582%0.81578%0.782SS**SBendtrans-141.669176-45.5178.6000110.8
979S31.6Very low35.1Very low117 Ų117144.9 Ų144.982%0.81879%0.788SS**  trans-171.8162.6163.2-84.10000109.7
980L35.4Very low35.2Very low168 Ų168145.9 Ų145.988%0.8880%0.799SS**  trans70.779.5-176.3-51.9177000114.4
981D36.3Very low34.8Very low157 Ų157144.1 Ų144.184%0.8479%0.794SS**  -162.7128122.3-101.5-21.1000109.3
982N39.3Very low34.9Very low167 Ų167145.8 Ų145.889%0.89380%0.802SS**  trans138.583.2165.2-80.3-61.5000111.9
983D41Very low34.7Very low150 Ų150148 Ų14880%0.80282%0.82SS**  trans-81.6119.7164.4-100.7-54.2000111.4T985D983-T985 PolarHBondContact O-N 2.95Å
984N32Very low34.9Very low145 Ų145147.5 Ų147.578%0.77582%0.821SS**  trans20.395.3148.4-59.1-71000119.6
985T35.6Very low35Very low144 Ų144143.5 Ų143.588%0.88382%0.815SS**  trans-138.8122.4134.947.80000112.1D983D983-T985 PolarHBondContact O-N 2.95Å
986T32.7Very low35.3Very low130 Ų130141.9 Ų141.980%0.79882%0.815SS**  trans-60.3139.1170.1-40.70000111.8
987I36.8Very low35.4Very low154 Ų154143.1 Ų143.179%0.7981%0.814SS**  trans-170.2121.8136.5-98.2149.4000111.6
988N34.7Very low35.6Very low135 Ų135141.1 Ų141.172%0.72280%0.804SS**  trans26.1114.3153.2-53.1-16.1000121
989T29.6Very low35.5Very low142 Ų142143.3 Ų143.387%0.87180%0.802SS**  trans-65.4129153.547.30000112.2
990T36.8Very low35.7Very low128 Ų128144.2 Ų144.279%0.78580%0.798SS**  trans-138115.6156.8-38.10000109.8
991T30.8Very low35.7Very low137 Ų137143.8 Ų143.884%0.8480%0.797SS**  trans-85.4123.6177.348.50000111.4
992T36Very low35.9Very low139 Ų139143.2 Ų143.285%0.85379%0.794SS**  trans-134.6132.6159.735.10000110.8
993T32.9Very low35.7Very low143 Ų143142.4 Ų142.488%0.87779%0.789SS**  trans-89.4138.2-178.150.20000111.8
994S38.5Very low35.4Very low112 Ų112145.6 Ų145.678%0.78379%0.79SS**  trans-146.3146.6141.1-170.90000109.9
995N35.6Very low35.5Very low142 Ų142149.7 Ų149.776%0.75980%0.796SS**  trans-72.4155.7171.1-46.4-70.7000109.5
996D41Very low35.3Very low153 Ų153146.4 Ų146.482%0.81878%0.779SS**  -150.5171.7112.7-134.7-33.9000113
997N36.6Very low35.5Very low121 Ų121146.4 Ų146.465%0.64777%0.774SS**  trans-108135.5-158.9-58.3-100.5000111.6
998N37.5Very low35.5Very low120 Ų120148.7 Ų148.764%0.64278%0.779SS**  -177.8118.1117.8-101.3-70.3000114.2
999R35.5Very low35.5Very low205 Ų205148.1 Ų148.177%0.77478%0.78SS**  47.6100.3129.5-63.4-177.9176.1110.6-7.3119.9
1000N35.3Very low35.6Very low137 Ų137145 Ų14573%0.73377%0.765SS**  51.798115.7-53.816.6000118.5
1001N36.1Very low35.5Very low159 Ų159148.4 Ų148.485%0.8577%0.769SS**  -149.2102.9128.5-105.6-28.5000108.4N1003N1001-N1003 PolarHBondContact O-N 3.46Å; N1001-N1003 VanDerWaalsContact O-N 3.08Å
1002D38.9Very low35.8Very low145 Ų145149.5 Ų149.578%0.77577%0.768SS**  trans-72.7102.6-173.5-69.9-57.4000111.6R1004D1002-R1004 PolarHBondContact O-N 3.01Å
1003N35.2Very low35.8Very low149 Ų149148.1 Ų148.180%0.79776%0.76SS**  trans-61.999.8168.2-72.2-49.1000109.8N1001 Y1005N1001-N1003 PolarHBondContact O-N 3.46Å; N1001-N1003 VanDerWaalsContact O-N 3.08Å; N1003-Y1005 PolarHBondContact O-N 3.38Å
1004R35.7Very low35.9Very low217 Ų217149.4 Ų149.482%0.81976%0.761SS**  trans-72.260.3168.7-70.2-164.4-177-168.83.2112D1002 S1006D1002-R1004 PolarHBondContact O-N 3.01Å; R1004-S1006 PolarHBondContact O-N 3.4Å
1005Y33.1Very low35.9Very low231 Ų231147.7 Ų147.791%0.90676%0.761SS**  trans-9349170.1-131.3-83.6000109.6N1003N1003-Y1005 PolarHBondContact O-N 3.38Å
1006S32.9Very low35.9Very low75 Ų75149.3 Ų149.352%0.52477%0.769SS.*  trans-146.638.8-158.467.70000114.5R1004R1004-S1006 PolarHBondContact O-N 3.4Å
1007D36.4Very low35.7Very low130 Ų130147.5 Ų147.570%0.69577%0.768SS**SBendtrans-1319.4177.8-98.7-46000114.4
1008F35.6Very low35.8Very low202 Ų202153.4 Ų153.489%0.88678%0.781SS**SBendtrans-108.45.6177.5-108.1-87.9000114.7
1009T36.1Very low35.9Very low123 Ų123158 Ų15876%0.75581%0.814SS**SBendtrans-130.137.7-169.843.90000113.7
1010S32Very low35.9Very low78 Ų78155.6 Ų155.655%0.54582%0.816SS.*SBendtrans-122.7-4-178.158.30000116
1011F34Very low35.9Very low198 Ų198156.6 Ų156.687%0.86882%0.82SS**SBendtrans-118.44.8-173.9-98.5-80.4000116.4
1012I37.9Very low35.9Very low160 Ų160156.4 Ų156.482%0.82182%0.818SS**SBendtrans-107.1-8.7-179.5-68.2-179.5000112.6
1013T35.1Very low35.7Very low111 Ų111157.1 Ų157.168%0.68182%0.821SS**SBendtrans-113.542.6-172.940.90000114.2
1014N34.7Very low35.8Very low170 Ų170157.6 Ų157.691%0.90982%0.822SS**SBendtrans-157.9100.9162.9-98.3-48.7000111
1015G38Very low35.8Very low76 Ų76153.7 Ų153.778%0.78482%0.823SS**  trans163-30.7175.400000116.1S1017G1015-S1017 VanDerWaalsContact C-N 3.27Å; G1015-S1017 PolarHBondContact O-N 3.47Å
1016L35.6Very low36Very low176 Ų176148.1 Ų148.192%0.92182%0.817SS**  trans-79.668.8178.4-73.5168.3000111.8
1017S38.2Very low36.2Very low114 Ų114153.8 Ų153.880%0.79784%0.839SS**  trans-155.762.3172-79.30000112.5G1015G1015-S1017 VanDerWaalsContact C-N 3.27Å; G1015-S1017 PolarHBondContact O-N 3.47Å
1018R37.7Very low36.2Very low246 Ų246155.8 Ų155.893%0.92885%0.851SS**  trans-163.7106.3150.9-107.6163.4-166.8-108.3-0.2108.4
1019T39.1Very low36.2Very low215 Ų215151.5 Ų151.5100%1.31985%0.848SS**  trans-65.80161.451.90000110.1

Retrieved 1,019 of 1,019 residues in 146.3 ms (Link to these results)