A0A077Z660_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z660, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 612 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.1Very low45.2Very low217 Ų217143.3 Ų143.3100%1.06975%0.748SS**  0115.10-67.394.5174.800107.1
2E40.2Very low45.1Very low171 Ų171146 Ų14680%0.79976%0.758SS**  9113396.7-71.4-173.6117.100112
3T46.5Very low45Very low93 Ų93140.8 Ų140.857%0.57176%0.762SS**  cis-166.1140.2-13.512.50000110.5
4K46.3Very low44.8Very low196 Ų196140.8 Ų140.885%0.85276%0.761SS**  trans64.2168150.3-60.3162.2-173.11710114.5
5A49.7Very low44.8Very low84 Ų84143.7 Ų143.769%0.69477%0.767SS**  cis-159.4163.3-9.300000106.2
6N48Very low44.4Very low134 Ų134140.8 Ų140.872%0.71776%0.762SS**  cis-151.6168-3.7-117.940.5000107.6
7D45.3Very low44.4Very low115 Ų115141.5 Ų141.562%0.61576%0.763SS**  54.2131.780.5-133.910.5000113.5
8V47.4Very low44Very low115 Ų115140.2 Ų140.270%0.69777%0.767SS**  cis-148.5125.740.2174.60000108.9
9Q42Very low43.9Very low158 Ų158136.9 Ų136.974%0.73877%0.768SS**  55.7137.993.6-92.7-171.5-0.400117.1
10T45.2Very low43.7Very low115 Ų115139.6 Ų139.671%0.70677%0.774SS**  cis-136.8-113.7-13.6-32.60000110.8
11K44.4Very low43.8Very low178 Ų178137.5 Ų137.577%0.77477%0.767SS**  cis-163.2119.8-5.7-159.2170.3-173.81790113.7
12M44.4Very low43.6Very low176 Ų176134.2 Ų134.287%0.86775%0.754SS**  trans49.5137.3147.4-52.6-78.6-89.600122.2
13G43.9Very low43.4Very low78 Ų78131 Ų13180%0.80475%0.75SS**  trans162.773.1160.600000117
14D41.9Very low43Very low141 Ų141132 Ų13275%0.75476%0.756SS**  trans-85.2174.6179.8-72.3-69.7000115.2
15H44.7Very low42.6Very low184 Ų184129.3 Ų129.385%0.85275%0.751SS**  trans109.7147.9159.6-53.4-34.8000116.8
16S39Very low41.9Very low97 Ų97135.2 Ų135.268%0.67876%0.755SS**  cis173.5159.1-38.2-108.80000110.2
17I43.9Very low41.4Very low154 Ų154134.9 Ų134.979%0.7975%0.753SS**  trans77.198.5152.6-66.1157.3000119.6
18S37.7Very low41Very low118 Ų118135.8 Ų135.883%0.82576%0.757SS**  trans46.2141.7132.9760000125
19G40.6Very low40.4Very low77 Ų77140.4 Ų140.479%0.79476%0.764SS**  trans-158.7137.6154.700000111.8
20H39.8Very low40.8Very low190 Ų190137.4 Ų137.488%0.8876%0.758SS**  trans-91.5151.9-169-124.5-96.1000114
21P47.2Very low40.5Very low96 Ų96139.7 Ų139.762%0.62376%0.763SS**  trans-92.5153.2170.735.7-34.8000113.4
22N36.6Very low40.3Very low149 Ų149137.7 Ų137.780%0.79777%0.765SS**  174.7131.3128.1-99.1-31000117.5
23S36.9Very low40Very low102 Ų102132.4 Ų132.471%0.71376%0.756SS**  90.2147.5126.279.20000125.4
24V38.2Very low39.8Very low116 Ų116135.8 Ų135.870%0.70376%0.756SS**  trans74134.7155.4-117.70000125
25N37.7Very low39.5Very low139 Ų139135.8 Ų135.874%0.74376%0.756SS**  trans77.2150152-65.5-43.6000120.8
26R36Very low39.1Very low207 Ų207135.8 Ų135.878%0.78175%0.754SS**  cis-174.4157.5-30.7-159.6-176164.3157.9-5109.1
27L37Very low39Very low128 Ų128136.3 Ų136.367%0.6775%0.752SS**  trans74.5144.6167.2-51.6178.1000115.8
28D35.8Very low38.7Very low133 Ų133137.1 Ų137.171%0.71175%0.753SS**  cis-151177-0.5-114.3-32.9000114.8
29Y36Very low38.4Very low212 Ų212136.8 Ų136.883%0.83175%0.746SS**  trans-74.6-176.1-163.4-89-67.5000121.6
30P48.9Very low38.1Very low95 Ų95141.1 Ų141.162%0.61775%0.75SS**  cis-145.7176.4-19.335.1-13.1000120.8
31M39.3Very low37.9Very low164 Ų164138 Ų13881%0.80875%0.75SS**  trans81.4162.9157.6-54.1-41.8179.100120.9
32T39.9Very low37.1Very low135 Ų135141.3 Ų141.383%0.82876%0.762SS**  cis-173.6168.9-25.936.20000109.2
33G38.4Very low36.8Very low66 Ų66146 Ų14668%0.6877%0.768SS**  cis161.4106.1-800000117.3
34D39.8Very low36.6Very low148 Ų148146.8 Ų146.879%0.79177%0.774SS**  trans68.3108.6136.4-54.2-33.6000130
35N37.2Very low36.4Very low142 Ų142150.2 Ų150.276%0.75978%0.782SS**  63.4140.4101.8-65.4-44.5000129.6
36F36.3Very low36.1Very low184 Ų184152.8 Ų152.881%0.80779%0.79SS**  trans99.7178.4142.3-95.8-121.3000126.6
37V36.3Very low36.2Very low107 Ų107149.8 Ų149.865%0.64880%0.795SS**  -165.9169.4-118.7135.40000118.8
38H36.3Very low36.2Very low172 Ų172151.8 Ų151.880%0.79680%0.801SS**  trans103.9128.5151.4-95.8-51.4000127.8
39T32.3Very low36.2Very low111 Ų111152.5 Ų152.568%0.68180%0.802SS**  90.7115.5129.7-56.20000129.1
40L33.8Very low36Very low168 Ų168148 Ų14888%0.8879%0.79SS**  trans13.3147.3143.4-55.8172.6000128
41S36.9Very low35.1Very low125 Ų125147.1 Ų147.187%0.87478%0.779SS**  trans-164.6170.6136.3-163.30000114.2
42N29.8Very low35.3Very low164 Ų164146.7 Ų146.788%0.87778%0.78SS**  trans-112.1151.7-166.2-86.3-48.5000116.6
43R29.9Very low35.3Very low247 Ų247143.5 Ų143.593%0.93276%0.763SS**  trans-156.8144.9155.2-155.9166.9-176.2162.41.1113.5
44S32.8Very low35.2Very low119 Ų119147 Ų14783%0.83277%0.765SS**  trans-75.9160.1-171.2-460000115.9
45Q33.6Very low35.2Very low189 Ų189147.9 Ų147.988%0.88376%0.762SS**  trans-121.4150.8168-71.4-174.5-9.100111.9
46E32.6Very low35Very low193 Ų193150.6 Ų150.690%0.90276%0.762SS**  trans-98.5139.1176.3-63.9171.3127.800110.6
47T36.9Very low34.8Very low143 Ų143146.2 Ų146.288%0.87775%0.747SS**  trans-99.896.3-178.552.40000112
48E36.5Very low34.7Very low171 Ų171149.8 Ų149.880%0.79975%0.754SS**  trans-80.3130.4164-68.6-161.9142.300111.2
49M35.8Very low34.4Very low148 Ų148146.5 Ų146.573%0.72976%0.757SS**  trans-106.8102.9179-170.3-177.8-58.600109.7
50M32.7Very low34.6Very low118 Ų118143.8 Ų143.858%0.58175%0.745SS**  trans-75.5129.1-173.3-70-176.2172.300113.5S462M50-S462 WeakPolarHBondContact SD-CB 3.49Å; M50-S462 PolarHBondContact SD-OG 3.44Å; M50-S462 VanDerWaalsContact SD-OG 3.37Å
51D30.7Very low34.6Very low75 Ų75141.5 Ų141.540%0.40173%0.734SS.*  trans-71.9139.2172178.515.2000111.7S53 A234D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 PolarHBondContact O-N 2.62Å; D51-S53 PolarHBondContact OD1-N 3.38Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 WeakPolarHBondContact OD2-CB 3.25Å; D51-S53 PolarHBondContact OD2-OG 3.33Å; D51-A234 WeakPolarHBondContact OD2-CB 3.43Å
52L43.2Very low34.7Very low155 Ų155138.2 Ų138.281%0.81271%0.711SS**G310 helixtrans-76.6-2.5178.6-66.1172.6000113.5
53S39.3Very low34.8Very low69 Ų69134 Ų13448%0.48370%0.695SS.*G310 helixtrans-69.8-27.7178.872.40000114.7D51 F55D51-S53 VanDerWaalsContact CG-OG 3.26Å; D51-S53 PolarHBondContact O-N 2.62Å; D51-S53 PolarHBondContact OD1-N 3.38Å; D51-S53 VanDerWaalsContact OD1-N 3.07Å; D51-S53 WeakPolarHBondContact OD2-CB 3.25Å; D51-S53 PolarHBondContact OD2-OG 3.33Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.94Å; S53-F55 VanDerWaalsContact O-N 3.09Å
54L35.4Very low35.2Very low138 Ų138128.4 Ų128.472%0.72368%0.682SS**G310 helixtrans-64-17.5-167.6-94.2163.7000115.9R56L54-R56 PolarHBondContact O-N 3.31Å
55F40.6Very low35.3Very low167 Ų167126 Ų12673%0.73266%0.657SS**SBendtrans-74.431-177.8-77-86.3000114.7S53S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.94Å; S53-F55 VanDerWaalsContact O-N 3.09Å
56R33.7Very low35.5Very low200 Ų200125.3 Ų125.376%0.75565%0.653SS**SBendtrans-150.170.7-171-158.4179.7-166.9179.63.1114.6L54L54-R56 PolarHBondContact O-N 3.31Å
57N31.8Very low35.8Very low91 Ų91120.4 Ų120.449%0.48763%0.63SS.*  trans163.9103.1136.5-83.3-6.4000111.2P238N57-P238 HydrophobicContact CB-CG 4.14Å; N57-P238 PolarHBondContact ND2-O 3.04Å; N57-P238 VanDerWaalsContact ND2-O 3.11Å
58F34.1Very low35.7Very low183 Ų183115.8 Ų115.880%0.80361%0.611SS**  trans-147.6106.5153.2-90.7-72.1000109.2
59A30.9Very low35.6Very low103 Ų103112.4 Ų112.485%0.85161%0.606SS**  trans-165.477.4178.600000110
60A36.8Very low35.7Very low53 Ų53110.2 Ų110.244%0.43860%0.601SS.*  trans-153.7143.1169.600000111.4G240 S241A60-G240 WeakPolarHBondContact CB-O 3.45Å; A60-S241 VanDerWaalsContact O-CA 3.29Å; A60-S241 WeakPolarHBondContact O-CA 3.47Å
61D33.7Very low35.8Very low120 Ų120113.4 Ų113.464%0.64261%0.608SS**  trans-105.8152.1-176.2-79.8-32.4000110.6L243D61-L243 HydrophobicContact CB-CD1 3.52Å; D61-L243 HydrophobicContact CB-CG 3.91Å; D61-L243 VanDerWaalsContact CG-CD1 3.47Å; D61-L243 WeakPolarHBondContact OD1-CD1 3.48Å; D61-L243 WeakPolarHBondContact OD1-CG 3.27Å
62S38.8Very low36.2Very low57 Ų57117.1 Ų117.140%0.39962%0.622SS.*  trans-162.4120.6156.650.50000113.2A242 L243S62-A242 CarbonylContact O-C 3.59Å; S62-A242 WeakPolarHBondContact OG-CA 3.42Å; S62-L243 WeakPolarHBondContact O-CA 3.37Å; S62-L243 VanDerWaalsContact O-CB 3.27Å; S62-L243 WeakPolarHBondContact O-CB 3.16Å; S62-L243 PolarHBondContact O-N 3.49Å
63S32Very low36.3Very low76 Ų76114.7 Ų114.753%0.53162%0.616SS.*  trans-45.4157.8-166.6-146.30000117.1L243 L244S63-L243 CarbonylContact C-O 3.32Å; S63-L243 VanDerWaalsContact C-O 3.32Å; S63-L244 VanDerWaalsContact OG-CD1 3.25Å; S63-L244 WeakPolarHBondContact OG-CD1 3.46Å
64I37.9Very low36.2Very low129 Ų129118.6 Ų118.666%0.66263%0.628SS**  -155.4138.386.7-83.1143.9000112.8L243 L244 S245I64-L243 PolarHBondContact N-O 2.87Å; I64-L244 VanDerWaalsContact C-CB 3.4Å; I64-L244 CarbonylContact O-C 3.54Å; I64-L244 VanDerWaalsContact O-CB 3.23Å; I64-L244 WeakPolarHBondContact O-CB 3.41Å; I64-S245 PolarHBondContact O-N 3.31Å
65K34Very low36.2Very low69 Ų69119.8 Ų119.830%0.363%0.63SS.*  trans-106.4141.9159.4-63.8-150.6136.4-132.50109.1L244 S245 P246K65-L244 HydrophobicContact CD-CD2 4.12Å; K65-L244 HydrophobicContact CG-CB 3.87Å; K65-L244 HydrophobicContact CG-CD1 4.21Å; K65-L244 HydrophobicContact CG-CD2 3.72Å; K65-L244 HydrophobicContact CG-CG 4.11Å; K65-S245 WeakPolarHBondContact CA-O 3.48Å; K65-S245 WeakPolarHBondContact CB-O 3.18Å; K65-S245 WeakPolarHBondContact CD-O 3.25Å; K65-S245 WeakPolarHBondContact CE-O 3.31Å; K65-S245 WeakPolarHBondContact CG-O 3.18Å; K65-S245 PolarHBondContact NZ-O 2.97Å; K65-P246 PolarHBondContact NZ-O 2.84Å
66H39.1Very low36.2Very low173 Ų173116.7 Ų116.780%0.80163%0.63SS**  trans-165.1114.4133-97.7-74.5000107.2
67E37.8Very low36.6Very low90 Ų90112.7 Ų112.742%0.42163%0.632SS.*  86.5116.963.7-60.5-110.2174.800110.7T247E67-T247 WeakPolarHBondContact CA-OG1 3.23Å; E67-T247 HydrophobicContact CG-CG2 4.26Å; E67-T247 WeakPolarHBondContact CG-OG1 3.38Å; E67-T247 WeakPolarHBondContact OE1-CG2 3.27Å; E67-T247 WeakPolarHBondContact OE2-CB 3.26Å; E67-T247 WeakPolarHBondContact OE2-CG2 3.17Å; E67-T247 PolarHBondContact OE2-OG1 3.46Å
68G36.1Very low36.9Very low46 Ų46112.5 Ų112.547%0.47465%0.652SS.*  trans-97.8-173-170.600000114.2
69S32.7Very low37Very low100 Ų100107.3 Ų107.370%0.69965%0.65SS**  trans-145143.5-179.6-175.60000112.3
70T38.7Very low37.5Very low102 Ų102110.9 Ų110.963%0.62665%0.654SS**  trans-137.7106.1167.5-56.90000108.6
71Y34Very low37.7Very low185 Ų185113.5 Ų113.573%0.72567%0.666SS**  27.9149.1126.7-65.7-65.9000120.1
72H40.3Very low38.1Very low153 Ų153117.8 Ų117.871%0.70868%0.679SS**  cis-162.5-169.320.6-127.6-30.8000109.4
73P44.8Very low37.9Very low104 Ų104121.9 Ų121.968%0.67570%0.697SS**  -119.6-175.8-91.432.3-10.4000114.6
74M36.6Very low38.7Very low151 Ų151123.2 Ų123.274%0.74470%0.704SS**  -162.9147.9128.3-81.4-135.496.600110.6
75E36.3Very low38.8Very low163 Ų163121.7 Ų121.776%0.76271%0.711SS**  trans39.3131.4146.4-65.4174.3-175.300120.5
76S40Very low39.1Very low103 Ų103121.7 Ų121.772%0.7272%0.724SS**  cis-171.7168.915.551.40000113.5
77S42.6Very low39.3Very low116 Ų116122 Ų12281%0.81173%0.725SS**  trans70.5127.1157.173.30000121.9
78G38.3Very low39.5Very low87 Ų87125.6 Ų125.690%0.89775%0.746SS**  trans78.6134.2156.200000118.3
79G36.4Very low39.5Very low74 Ų74127.5 Ų127.576%0.76376%0.757SS**  cis174.393-7.400000115.1
80L41.3Very low39.8Very low178 Ų178129 Ų12993%0.93276%0.762SS**  trans65.1150.6163.9-61.5175.6000120.2
81P41.2Very low39.7Very low108 Ų108129 Ų12970%0.70177%0.767SS**  trans-112.4176.2179.443-35000113.8
82F40.3Very low39.7Very low209 Ų209129 Ų12992%0.91778%0.775SS**  -167.6154.5128-116.1-81000112.3
83D36.4Very low39.5Very low144 Ų144125 Ų12577%0.7778%0.776SS**  trans-108.3-170.3178.2-150.429.4000108.1
84P48.8Very low39.1Very low104 Ų104126 Ų12668%0.67578%0.782SS**  cis-144.2-160.41.744.2-22.8000116.4
85A38.7Very low39Very low97 Ų97128.4 Ų128.480%0.80279%0.789SS**  trans87.7157.3158.200000117.7
86A41.3Very low39.3Very low69 Ų69126.5 Ų126.557%0.5779%0.791SS**  cis-155.5168.511.500000114.3
87H43.3Very low39Very low179 Ų179127.3 Ų127.383%0.82979%0.791SS**  trans67.9151.4160.2-56.6-52.9000118.3
88L40.7Very low38.7Very low165 Ų165129 Ų12986%0.86479%0.792SS**  cis-148.2167.83.3-128.2163.5000109.8
89A35.8Very low38.5Very low86 Ų86128.4 Ų128.471%0.71178%0.778SS**  trans-137161.2-168.300000115.2
90T40Very low38.5Very low132 Ų132135.9 Ų135.981%0.8179%0.785SS**  trans-175.3106.5160-75.30000108.1
91S36.8Very low38.2Very low102 Ų102131.5 Ų131.571%0.71377%0.774SS**  65.9109.693-157.60000114.3
92M34.3Very low37.7Very low184 Ų184135.4 Ų135.491%0.90678%0.78SS**  83.9131.657.1-74.1-73.4-73.100115.4
93G34.5Very low37.5Very low71 Ų71131.9 Ų131.973%0.73278%0.776SS**  trans167.3119.5172.600000116
94P37.9Very low37.2Very low123 Ų123130.8 Ų130.880%0.79977%0.774SS**  trans-110.6-173176.940.4-32.8000115
95F34.8Very low36.7Very low203 Ų203132.3 Ų132.389%0.8978%0.782SS**  trans-51.8156.1178.9-73.8-89.3000116.1
96P40.8Very low36.3Very low122 Ų122133.1 Ų133.179%0.79278%0.782SS**  -141.5-168.1113.841-28.4000115.1
97T34.3Very low36.2Very low120 Ų120137.4 Ų137.474%0.73679%0.794SS**  trans-103.7-166.9-174.3520000113.9
98D37.5Very low35.7Very low152 Ų152137.3 Ų137.381%0.81379%0.792SS**  trans95.9155.7164-54.64.6000114.6
99A33.5Very low35.6Very low74 Ų74136.1 Ų136.161%0.61279%0.786SS**  cis167176.2-27.700000105.5
100Y35.7Very low35.6Very low232 Ų232138.5 Ų138.591%0.9179%0.787SS**  trans70155.9-177.6-68.5-104.7000116.6
101A34.5Very low35.3Very low85 Ų85140.8 Ų140.870%0.70279%0.786SS**  cis-164.6164.5-30.500000113.1
102K31.5Very low35.2Very low191 Ų191143.7 Ų143.783%0.8379%0.788SS**  trans-45.7139.8-179.2-53.7166179.5179.40118.6
103T35.6Very low34.8Very low134 Ų134143.4 Ų143.482%0.82278%0.782SS**  trans-164.4128.7133.333.10000107.6
104T30.7Very low34.6Very low121 Ų121147.4 Ų147.474%0.74278%0.782SS**  cis91.571.524.374.30000117.8
105T38.1Very low34.2Very low137 Ų137146.1 Ų146.184%0.8477%0.772SS**  trans-146.6116.8152.648.60000106.9
106S31.7Very low34.1Very low114 Ų114145.3 Ų145.380%0.79777%0.773SS**  cis83.585.344.3-1640000113.8
107L37.3Very low33.7Very low158 Ų158145.4 Ų145.483%0.82777%0.766SS**  trans172.198.3158.8-94161.4000104
108K34.5Very low33.6Very low178 Ų178150 Ų15077%0.77477%0.77SS**  86148.673.6-83.4-162.1175.1-169.30113.1
109D38.9Very low33.4Very low139 Ų139147.6 Ų147.674%0.74377%0.765SS**  trans71.7141.7174.3-40.9-18.4000115.9
110D35.3Very low33.7Very low136 Ų136150 Ų15073%0.72777%0.772SS**  cis-167.7158.1-48.5-112.1-3.5000109.1
111F34.2Very low33.9Very low180 Ų180147.1 Ų147.179%0.78977%0.767SS**  trans40.1119164.6-76.1-100.2000119.1
112E33.7Very low33.9Very low163 Ų163147 Ų14776%0.76277%0.773SS**  cis61.8119.249.2-142.4-168.9-13200116.8
113F26.7Very low34.1Very low179 Ų179141.4 Ų141.479%0.78577%0.77SS**  trans57127.5156-107.2-108.6000123.3
114E28.7Very low34.2Very low154 Ų154142.5 Ų142.572%0.7277%0.771SS**  trans67.1148.4144.8-88.9-69.6177.400123.2
115T31.1Very low34.5Very low96 Ų96143.4 Ų143.459%0.58977%0.771SS**  trans56.796.1151.7-60.50000120.1L117T115-L117 HydrophobicContact CG2-CB 4.1Å; T115-L117 HydrophobicContact CG2-CD1 3.82Å; T115-L117 HydrophobicContact CG2-CG 4.23Å
116M31.5Very low34.7Very low187 Ų187146.1 Ų146.192%0.92177%0.774SS**  trans-160.895.5150.4-166.2180-62.100107.7
117L33.8Very low34.8Very low124 Ų124144.1 Ų144.165%0.64977%0.771SS**  cis72.2123.630.6-113.7-157.2000115.6T115T115-L117 HydrophobicContact CG2-CB 4.1Å; T115-L117 HydrophobicContact CG2-CD1 3.82Å; T115-L117 HydrophobicContact CG2-CG 4.23Å
118R31.7Very low34.7Very low217 Ų217143.9 Ų143.982%0.81977%0.771SS**  trans71.8155167.2-57.2-174179.1-105.2-0.8117.6
119S33.9Very low34.5Very low100 Ų100141.3 Ų141.370%0.69977%0.77SS**  cis-174.3137.8-28.2-92.40000108.5
120V39.4Very low34.2Very low125 Ų125144.1 Ų144.176%0.75878%0.776SS**  trans-143.9152.6156.6177.10000108.2
121E39.3Very low34Very low172 Ų172144 Ų14480%0.80478%0.78SS**  trans-44.2159.8-179.1-5685.4-119.100116.4
122G34.2Very low34.1Very low81 Ų81138.8 Ų138.884%0.83578%0.777SS**  cis109.8130.57.700000112.6
123G36.9Very low34Very low74 Ų74137.8 Ų137.876%0.76378%0.777SS**  trans142.6109.8178.400000113.3
124D36.5Very low34.5Very low158 Ų158137.7 Ų137.785%0.84578%0.781SS**  trans-87.4169.9-167.7-49.3-69.8000115
125D38.1Very low34.5Very low139 Ų139134 Ų13474%0.74377%0.773SS**  trans13.2136.2155.7-66.6-28.9000121.5
126H41.8Very low34.3Very low194 Ų194134.2 Ų134.290%0.89878%0.778SS**  177.4135.4110.7-86.3-32.1000114.6
127G33.5Very low34.4Very low72 Ų72135.5 Ų135.574%0.74278%0.779SS**  trans93.6139134.900000120.2
128N34.1Very low34.1Very low153 Ų153136 Ų13682%0.81878%0.782SS**  trans51.3121.3164.6-69.8-3.3000119.2
129V31.1Very low34.2Very low124 Ų124134.3 Ų134.375%0.75278%0.781SS**  62.192.259.3-175.10000112.7
130F32.5Very low34Very low198 Ų198136 Ų13687%0.86878%0.782SS**  trans-149118133.2-141.1-91.9000111.3
131T30.9Very low33.9Very low133 Ų133136.2 Ų136.282%0.81678%0.778SS**  trans-83.5117.3168.145.90000108.9
132G37.1Very low33.7Very low71 Ų71135.2 Ų135.273%0.73278%0.779SS**  trans-125.480.5179.300000111.5
133D31.7Very low33.7Very low142 Ų142134.7 Ų134.776%0.75977%0.773SS**  trans-80.1121.5175.2-171.511.2000110.2
134M37.1Very low33.7Very low177 Ų177139.6 Ų139.687%0.87278%0.782SS**  trans-13382.4173.7-83.3-98.766.300108
135S28.3Very low33.5Very low78 Ų78137.1 Ų137.155%0.54578%0.777SS.*  trans-77.4171.2176.553.80000112.2
136S27.7Very low33.5Very low100 Ų100138.5 Ų138.570%0.69979%0.785SS**  trans58.8107.8171.161.20000118.1
137F32.2Very low33Very low213 Ų213132.1 Ų132.193%0.93477%0.771SS**  -146.7103.9125.6-97.1-70.6000108.9
138N27.7Very low33.1Very low136 Ų136137 Ų13773%0.72778%0.778SS**  trans-70.7154.5160.1-82-5.5000108.6
139F34.4Very low32.9Very low181 Ų181135.6 Ų135.679%0.79477%0.771SS**  trans-13185.5168.3-155.2-91.5000109L141F139-L141 HydrophobicContact CD1-CG 4.35Å; F139-L141 HydrophobicContact CE1-CD1 3.78Å; F139-L141 HydrophobicContact CE1-CG 3.86Å
140D29.4Very low32.8Very low134 Ų134136.2 Ų136.272%0.71777%0.769SS**  trans-73.6137.7168.4-64.5-76.3000109.8
141L37.6Very low32.7Very low130 Ų130134.8 Ų134.868%0.68176%0.763SS**  trans-147.3113.8156.1-77.3-175.6000108.7F139F139-L141 HydrophobicContact CD1-CG 4.35Å; F139-L141 HydrophobicContact CE1-CD1 3.78Å; F139-L141 HydrophobicContact CE1-CG 3.86Å
142D35.7Very low32.8Very low152 Ų152133.6 Ų133.681%0.81376%0.759SS**  trans42.1129.4138.5-42.9-31.8000118.7
143G32.4Very low32.5Very low70 Ų70140.8 Ų140.872%0.72276%0.764SS**  111.6136.659.700000107.3
144D37Very low32.7Very low176 Ų176139.6 Ų139.694%0.94175%0.754SS**  cis-129.8177.718.5-79.2-50000113.8
145S33.4Very low32.5Very low106 Ų106137 Ų13774%0.74174%0.739SS**  trans-115.4138.6179.461.50000114.2
146D38.6Very low32.7Very low169 Ų169142.3 Ų142.390%0.90475%0.747SS**  trans-164.8144.2145.4-96.7-32.3000107
147G31.2Very low33Very low60 Ų60145.8 Ų145.862%0.61975%0.75SS**  cis97.190.230.700000108.4
148I34.3Very low33Very low174 Ų174145.5 Ų145.589%0.89274%0.742SS**  -179.4172.375.749.8168.2000110.5
149N29.6Very low33.3Very low124 Ų124147.1 Ų147.166%0.66375%0.745SS**  cis-171.1106.3-35.4-175.5-65.3000110.2
150L29.1Very low33.3Very low136 Ų136143.4 Ų143.471%0.71274%0.742SS**  trans64.8166.9161.6-78.254.8000117.5
151K32.3Very low33.7Very low168 Ų168143 Ų14373%0.7374%0.744SS**  cis-158.4144.6-7.7-126.2173.3-171.71680114.5
152C31Very low33.8Very low109 Ų109141.3 Ų141.374%0.73675%0.749SS**  trans36.6133133.7-71.50000126.7
153R32.4Very low34.2Very low221 Ų221139.6 Ų139.683%0.83475%0.746SS**  78.2156.5121.9-163.4178-164-170.12.6119.6
154E35.2Very low34.3Very low117 Ų117141.8 Ų141.855%0.54775%0.749SS.*  cis-175.1154.1-37.3-175.2-158.5172.100110.3
155H33.7Very low34.3Very low123 Ų123138.3 Ų138.357%0.56974%0.739SS**  trans76.9127148.6-104.74.8000124.4
156R31Very low34.4Very low190 Ų190140.2 Ų140.272%0.71774%0.74SS**  trans84.8115.9137.1-67.5171.6-169.5-1809.8123.6
157K34Very low34.4Very low172 Ų172141.7 Ų141.775%0.74874%0.738SS**  78.8122.7127.5-76.1-178.8177.8176.20122
158R32.5Very low35Very low208 Ų208143.4 Ų143.479%0.78575%0.747SS**  trans86.5115.1140.9-70.3-178.6175.7-168.3-1.4120.6
159H34.1Very low35.7Very low169 Ų169140.7 Ų140.778%0.78274%0.741SS**  trans45.2108140.4-53.7-74.3000121.4
160S34.3Very low36.4Very low103 Ų103139.9 Ų139.972%0.7275%0.745SS**  36.7109111.4-173.20000116.5
161T39.1Very low37.1Very low126 Ų126144.3 Ų144.377%0.77375%0.752SS**  -170.3139.467.542.40000114.3
162A38.2Very low37.8Very low95 Ų95142.6 Ų142.679%0.78576%0.756SS**  trans63.2177.1147.900000117.9
163P44.4Very low38.4Very low116 Ų116141.1 Ų141.175%0.75376%0.759SS**  -135.5178.6-114.436.2-13.5000118.4
164C35.7Very low38.9Very low115 Ų115135.8 Ų135.878%0.77776%0.755SS**  trans100.2132.4157-620000121.7
165S36.5Very low39.1Very low104 Ų104138.1 Ų138.173%0.72777%0.771SS**  trans70.5103.9148.248.30000125.5
166L35.9Very low39.4Very low145 Ų145135.8 Ų135.876%0.75977%0.773SS**  84.1122.8122.2-60.2178.3000124.9
167F38.4Very low39.8Very low200 Ų200135.1 Ų135.188%0.87778%0.778SS**  trans70.2148156.5-59.7-64.6000122.6
168A43Very low40.1Very low96 Ų96132.6 Ų132.679%0.79377%0.772SS**  trans-161.9-164.4-167.100000111.4
169P49.7Very low40.5Very low118 Ų118131.4 Ų131.477%0.76677%0.773SS**  cis-143.1-152.80.946.3-24.4000116.2
170S43Very low40.7Very low107 Ų107131 Ų13175%0.74877%0.774SS**  trans121.1163.4162.4-54.90000116.8
171R44Very low40.8Very low228 Ų228131 Ų13186%0.8677%0.774SS**  cis-145.4-106.9-7.1-130.4171.3-166.1-97.52.4117.1
172T47.2Very low41.1Very low132 Ų132132.3 Ų132.381%0.8178%0.782SS**  trans-155.3173.5-160.447.30000112.7
173G44.8Very low40.9Very low78 Ų78132.2 Ų132.280%0.80478%0.781SS**  cis169.3179.72.900000109
174S41.8Very low41Very low109 Ų109136.9 Ų136.976%0.76279%0.79SS**  cis-171.3179.1-11.1-163.70000111.4
175L40.1Very low41.1Very low167 Ų167136.9 Ų136.987%0.87479%0.791SS**  trans72.4167.5165.9-56.8179.8000120
176A39.6Very low41.7Very low73 Ų73139.5 Ų139.560%0.60380%0.796SS**  cis-171.7175.9-34.500000114
177Q38.9Very low42.3Very low177 Ų177138 Ų13883%0.82780%0.795SS**  trans71.5159.8157.1-75.6178.1-93.700121.4
178D41.7Very low42.7Very low118 Ų118134.2 Ų134.263%0.63179%0.79SS**  cis-161.3176.2-11-130.8-44.2000117.5
179F39.7Very low42.7Very low183 Ų183135 Ų13580%0.80379%0.788SS**  trans49.4139.2156.8-94.5-72.7000128.4
180M39.2Very low42.4Very low162 Ų162135.4 Ų135.480%0.79879%0.79SS**  trans73.7108.3156.7-62.6-156.794.900125.1
181S36.4Very low42.9Very low103 Ų103136.5 Ų136.572%0.7279%0.792SS**  trans38.9112.7132.3-56.30000124.3
182T44.2Very low42.7Very low153 Ų153132.1 Ų132.194%0.93979%0.79SS**  -164.7156.5128.44.50000111.5
183A35.6Very low42.4Very low93 Ų93137.1 Ų137.177%0.76979%0.794SS**  trans-99.1129.3-171.600000114
184F44.8Very low42.1Very low213 Ų213137.7 Ų137.793%0.93479%0.791SS**  trans-144.2135.7161.1-104.7-85000110.3
185S38.8Very low41.8Very low116 Ų116143.7 Ų143.781%0.81180%0.797SS**  trans-91.9133.3-175.2-175.70000112.3
186L49.7Very low41.8Very low159 Ų159147.1 Ų147.183%0.83280%0.799SS**  trans-138.6148171.7-74.5176000110.5
187P48.3Very low41.6Very low114 Ų114153 Ų15374%0.7481%0.81SS**PPolyproline II helixtrans-81156.3-166.732-36.9000114.7
188P46.6Very low41.8Very low119 Ų119149.9 Ų149.977%0.77381%0.808SS**PPolyproline II helixtrans-74.1156-178.230.6-36.2000114.1
189P43.3Very low41.5Very low113 Ų113156.1 Ų156.173%0.73482%0.823SS**PPolyproline II helixtrans-78.7160.7-175.832.4-36.6000114.4
190P43.8Very low41.4Very low126 Ų126150.3 Ų150.382%0.81882%0.815SS**PPolyproline II helixtrans-76.9131.4-173.630-35.6000114.3
191V51.9Low41.6Very low131 Ų131150.3 Ų150.379%0.79481%0.81SS**PPolyproline II helixtrans-80.4122.5178.61790000112R193V191-R193 PolarHBondContact O-N 2.99Å
192V40.3Very low42.3Very low135 Ų135150.8 Ų150.882%0.81881%0.811SS**  trans-86103.5176.2-1790000110.9A194V192-A194 PolarHBondContact O-N 2.74Å
193R41.2Very low42.6Very low237 Ų237147.3 Ų147.389%0.89479%0.787SS**  trans-82.3105172.9-85.4-177166160.9-3.1112V191 R195V191-R193 PolarHBondContact O-N 2.99Å; R193-R195 PolarHBondContact O-N 3.09Å
194A37.7Very low44.1Very low90 Ų90146.4 Ų146.474%0.74478%0.775SS**  trans-67.5116.2176.100000112.4V192 R196V192-A194 PolarHBondContact O-N 2.74Å; A194-R196 PolarHBondContact O-N 3.14Å
195R37Very low45.2Very low235 Ų235139.1 Ų139.189%0.88775%0.745SS**  trans-82.677.5-174.1-167.5174-178.6172.61.7112.4R193 K197R193-R195 PolarHBondContact O-N 3.09Å; R195-K197 PolarHBondContact O-N 3.43Å
196R39.9Very low46.6Very low240 Ų240135.9 Ų135.991%0.90672%0.716SS**  trans-55124.1173.7-75-174.2171.4-170.4-2.3110.8A194A194-R196 PolarHBondContact O-N 3.14Å
197K35.5Very low47.7Very low195 Ų195133.5 Ų133.585%0.84870%0.704SS**  trans-97.386.5174.1-70.1178.6-179.1171.90110.3R195 R199R195-K197 PolarHBondContact O-N 3.43Å; K197-R199 PolarHBondContact O-N 2.73Å
198S43Very low48.8Very low112 Ų112130.6 Ų130.678%0.78368%0.682SS**  trans-72.7114.4168.837.70000110.2G200S198-G200 PolarHBondContact O-N 3.11Å
199R34.3Very low50.1Low250 Ų250125.5 Ų125.594%0.94365%0.648SS**  trans-76.375.9161.6-83.1177.1158.2164.7-8.6108.6K197K197-R199 PolarHBondContact O-N 2.73Å
200G37.2Very low51.7Low61 Ų61125.8 Ų125.863%0.62964%0.638SS**  trans-62.8137.9174.800000111.3S198S198-G200 PolarHBondContact O-N 3.11Å
201K44.5Very low53.4Low161 Ų161128.3 Ų128.370%0.764%0.636SS**  trans-72.1154.4171.7-65.7170.3-177.6175.30109.4D203 S204K201-D203 VanDerWaalsContact CB-OD2 3.32Å; K201-D203 WeakPolarHBondContact CB-OD2 2.92Å; K201-D203 PolarHBondContact O-N 3.44Å; K201-S204 WeakPolarHBondContact O-CB 3.01Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 VanDerWaalsContact O-N 3.08Å
202P51.4Low54.5Low114 Ų114124.7 Ų124.774%0.7461%0.612SS**THydrogen-bonded Turntrans-59.2-17.6-173.722.8-34.5000114.6S204 I205P202-S204 PolarHBondContact O-N 2.94Å; P202-I205 PolarHBondContact O-N 3.36Å
203D50.4Low56.1Low80 Ų80121.4 Ų121.443%0.42861%0.605SS.*Hα-helixtrans-51.7-27.1172.1-47.5-69.3000113.3K201 I205 F206 L207K201-D203 VanDerWaalsContact CB-OD2 3.32Å; K201-D203 WeakPolarHBondContact CB-OD2 2.92Å; K201-D203 PolarHBondContact O-N 3.44Å; D203-I205 VanDerWaalsContact C-N 3.32Å; D203-I205 PolarHBondContact O-N 3.28Å; D203-F206 PolarHBondContact O-N 3.02Å; D203-L207 HydrophobicContact CB-CD1 4.34Å; D203-L207 WeakPolarHBondContact O-CB 3.13Å; D203-L207 WeakPolarHBondContact O-CG 3.33Å; D203-L207 PolarHBondContact O-N 3.42Å
204S67.1Low57.3Low73 Ų73111.7 Ų111.751%0.5157%0.57SS.*Hα-helixtrans-56.2-39.3179.7-168.50000113.8K201 P202 L208K201-S204 WeakPolarHBondContact O-CB 3.01Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 VanDerWaalsContact O-N 3.08Å; P202-S204 PolarHBondContact O-N 2.94Å; S204-L208 WeakPolarHBondContact O-CB 3.04Å; S204-L208 PolarHBondContact O-N 2.85Å
205I67.3Low58.7Low61 Ų61108.4 Ų108.431%0.31354%0.541SS..Hα-helixtrans-74.3-47-175.2-62.9175.5000110P202 D203 L207 L208 L209P202-I205 PolarHBondContact O-N 3.36Å; D203-I205 VanDerWaalsContact C-N 3.32Å; D203-I205 PolarHBondContact O-N 3.28Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.27Å; I205-L208 PolarHBondContact O-N 3.09Å; I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.1Å
206F67.9Low60.3Low48 Ų48101.1 Ų101.121%0.21152%0.52CS..Hα-helixtrans-62-41176.9179.7-99.7000112D203 K210 T215D203-F206 PolarHBondContact O-N 3.02Å; F206-K210 HydrophobicContact CE1-CD 4.45Å; F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.29Å; F206-K210 PolarHBondContact O-N 3.28Å; F206-T215 HydrophobicContact CE2-CG2 4.14Å
207L72.6Confident61.3Low109 Ų10990.3 Ų90.357%0.57148%0.483SS*.Hα-helixtrans-65.2-37.1174.9-73.9169.5000112.5D203 I205 K211D203-L207 HydrophobicContact CB-CD1 4.34Å; D203-L207 WeakPolarHBondContact O-CB 3.13Å; D203-L207 WeakPolarHBondContact O-CG 3.33Å; D203-L207 PolarHBondContact O-N 3.42Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 3.27Å; L207-K211 WeakPolarHBondContact O-CB 2.9Å; L207-K211 PolarHBondContact O-N 2.55Å
208L71.5Confident62.7Low53 Ų5389 Ų8928%0.27748%0.477SS..Hα-helixtrans-70.7-45177.6-175.358.3000111.9S204 I205 K211 N212 A398S204-L208 WeakPolarHBondContact O-CB 3.04Å; S204-L208 PolarHBondContact O-N 2.85Å; I205-L208 PolarHBondContact O-N 3.09Å; L208-K211 PolarHBondContact O-N 2.87Å; L208-N212 WeakPolarHBondContact O-CB 3.45Å; L208-N212 PolarHBondContact O-N 2.92Å; L208-N212 PolarHBondContact O-ND2 3.22Å; L208-A398 HydrophobicContact CD2-CB 3.76Å; L208-A398 HydrophobicContact CG-CB 4.4Å
209L74.6Confident63.3Low11 Ų1188.2 Ų88.26%0.05847%0.468CS..Hα-helixtrans-58.2-48.7172.9-67.9175.3000110.7I205 N212 G213 M214 T215 W220I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 HydrophobicContact CG2-CG 4.27Å; I205-L209 WeakPolarHBondContact O-CB 3.4Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.47Å; I205-L209 PolarHBondContact O-N 3.1Å; L209-N212 PolarHBondContact O-N 2.85Å; L209-G213 PolarHBondContact O-N 3.15Å; L209-M214 HydrophobicContact CB-CB 4.17Å; L209-M214 HydrophobicContact CD2-CB 4.11Å; L209-M214 HydrophobicContact CD2-CE 3.73Å; L209-M214 HydrophobicContact CD2-CG 4.3Å; L209-M214 HydrophobicContact CD2-SD 3.48Å; L209-M214 WeakPolarHBondContact CD2-SD 3.34Å; L209-M214 VanDerWaalsContact O-CB 3.29Å; L209-M214 WeakPolarHBondContact O-CB 3.27Å; L209-M214 WeakPolarHBondContact O-CG 3.43Å; L209-M214 PolarHBondContact O-N 3.32Å; L209-T215 HydrophobicContact CB-CG2 4.1Å; L209-W220 HydrophobicContact CD1-CH2 4.25Å; L209-W220 HydrophobicContact CD1-CZ3 4.13Å
210K76.3Confident64.4Low119 Ų11981.3 Ų81.352%0.51744%0.442SS..Hα-helixtrans-64.2-42.4177.8-173.3176.5179.8-179.30112.5F206 N212 G213 T215F206-K210 HydrophobicContact CE1-CD 4.45Å; F206-K210 VanDerWaalsContact O-CB 3.29Å; F206-K210 WeakPolarHBondContact O-CB 3.29Å; F206-K210 PolarHBondContact O-N 3.28Å; K210-N212 VanDerWaalsContact C-N 3.25Å; K210-N212 PolarHBondContact O-N 3.09Å; K210-G213 PolarHBondContact O-N 2.95Å; K210-T215 HydrophobicContact CB-CG2 4.3Å
211K79.4Confident65.1Low179 Ų17981.8 Ų81.878%0.77844%0.436SS*.Hα-helixtrans-61.8-34.1177.6179175.3177.5178.30112.3L207 L208 G213L207-K211 WeakPolarHBondContact O-CB 2.9Å; L207-K211 PolarHBondContact O-N 2.55Å; L208-K211 PolarHBondContact O-N 2.87Å; K211-G213 VanDerWaalsContact C-N 3.3Å; K211-G213 PolarHBondContact O-N 3.25Å
212N76.5Confident65.3Low55 Ų5584.8 Ų84.829%0.29444%0.443SS..THydrogen-bonded Turntrans-91.316.3-179.8-61-13.9000112.9L208 L209 K210 M214 L395L208-N212 WeakPolarHBondContact O-CB 3.45Å; L208-N212 PolarHBondContact O-N 2.92Å; L208-N212 PolarHBondContact O-ND2 3.22Å; L209-N212 PolarHBondContact O-N 2.85Å; K210-N212 VanDerWaalsContact C-N 3.25Å; K210-N212 PolarHBondContact O-N 3.09Å; N212-M214 HydrophobicContact CB-CG 3.84Å; N212-M214 HydrophobicContact CB-SD 4.12Å; N212-M214 WeakPolarHBondContact O-CG 3.43Å; N212-M214 PolarHBondContact O-N 2.88Å; N212-L395 HydrophobicContact CB-CD1 4.11Å
213G73.1Confident65.2Low66 Ų6682.6 Ų82.668%0.6844%0.435SS*.THydrogen-bonded Turntrans72.86.8177.600000115.7L209 K210 K211 T215L209-G213 PolarHBondContact O-N 3.15Å; K210-G213 PolarHBondContact O-N 2.95Å; K211-G213 VanDerWaalsContact C-N 3.3Å; K211-G213 PolarHBondContact O-N 3.25Å; G213-T215 VanDerWaalsContact C-N 3.33Å; G213-T215 PolarHBondContact O-N 3.43Å
214M65.9Low65Low33 Ų3386.2 Ų86.216%0.16344%0.442CS..SBendtrans-81-8.4-168.7-42.7-169.751.600114.4L209 N212 L395 V429 Q430 A433L209-M214 HydrophobicContact CB-CB 4.17Å; L209-M214 HydrophobicContact CD2-CB 4.11Å; L209-M214 HydrophobicContact CD2-CE 3.73Å; L209-M214 HydrophobicContact CD2-CG 4.3Å; L209-M214 HydrophobicContact CD2-SD 3.48Å; L209-M214 WeakPolarHBondContact CD2-SD 3.34Å; L209-M214 VanDerWaalsContact O-CB 3.29Å; L209-M214 WeakPolarHBondContact O-CB 3.27Å; L209-M214 WeakPolarHBondContact O-CG 3.43Å; L209-M214 PolarHBondContact O-N 3.32Å; N212-M214 HydrophobicContact CB-CG 3.84Å; N212-M214 HydrophobicContact CB-SD 4.12Å; N212-M214 WeakPolarHBondContact O-CG 3.43Å; N212-M214 PolarHBondContact O-N 2.88Å; M214-L395 HydrophobicContact CE-CD1 4.36Å; M214-L395 HydrophobicContact SD-CD1 3.44Å; M214-L395 WeakPolarHBondContact SD-CD1 3.44Å; M214-V429 HydrophobicContact CE-CG1 4.11Å; M214-Q430 VanDerWaalsContact CB-OE1 3.27Å; M214-A433 HydrophobicContact CE-CB 4.25Å
215T67.7Low63.8Low21 Ų2186.2 Ų86.213%0.12944%0.442CS..  trans-157.1137.9175.3179.50000111.1F206 L209 K210 G213 G217 T219F206-T215 HydrophobicContact CE2-CG2 4.14Å; L209-T215 HydrophobicContact CB-CG2 4.1Å; K210-T215 HydrophobicContact CB-CG2 4.3Å; G213-T215 VanDerWaalsContact C-N 3.33Å; G213-T215 PolarHBondContact O-N 3.43Å; T215-G217 PolarHBondContact O-N 2.93Å; T215-G217 PolarHBondContact OG1-N 3.27Å; T215-T219 PolarHBondContact OG1-OG1 3.3Å
216D69.4Low62.4Low83 Ų8387.1 Ų87.144%0.44445%0.453SS..  trans-75.6-9.4170.472.8-19.4000113.1K218 T219D216-K218 HydrophobicContact CB-CG 4.46Å; D216-K218 PolarHBondContact O-N 3.07Å; D216-K218 PolarHBondContact OD1-N 3.46Å; D216-K218 VanDerWaalsContact OD2-CB 3.25Å; D216-K218 WeakPolarHBondContact OD2-CB 3.4Å; D216-K218 VanDerWaalsContact OD2-CD 3.23Å; D216-K218 WeakPolarHBondContact OD2-CD 3.46Å; D216-K218 WeakPolarHBondContact OD2-CG 3.29Å; D216-T219 WeakPolarHBondContact OD1-CB 3.47Å; D216-T219 WeakPolarHBondContact OD1-CG2 3.14Å; D216-T219 PolarHBondContact OD1-N 3.39Å; D216-T219 PolarHBondContact OD1-OG1 2.8Å
217G62.1Low61.3Low13 Ų1389.1 Ų89.113%0.13447%0.473CS..SBendtrans76.3-15.5-173.700000115.2T215 S221T215-G217 PolarHBondContact O-N 2.93Å; T215-G217 PolarHBondContact OG1-N 3.27Å; G217-S221 PolarHBondContact O-N 2.99Å; G217-S221 PolarHBondContact O-OG 3.47Å
218K64.7Low59.6Low166 Ų16691.4 Ų91.472%0.72249%0.485SS*.THydrogen-bonded Turntrans-73.9-49.4176.6-46.1177.3-165.3166.20109.2D216 W220 S221D216-K218 HydrophobicContact CB-CG 4.46Å; D216-K218 PolarHBondContact O-N 3.07Å; D216-K218 PolarHBondContact OD1-N 3.46Å; D216-K218 VanDerWaalsContact OD2-CB 3.25Å; D216-K218 WeakPolarHBondContact OD2-CB 3.4Å; D216-K218 VanDerWaalsContact OD2-CD 3.23Å; D216-K218 WeakPolarHBondContact OD2-CD 3.46Å; D216-K218 WeakPolarHBondContact OD2-CG 3.29Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 3.33Å; K218-S221 PolarHBondContact O-N 2.96Å
219T56.7Low58Low97 Ų9798.2 Ų98.260%0.59551%0.507SS*.THydrogen-bonded Turntrans-47.2-42.7176.2430000114.3T215 D216T215-T219 PolarHBondContact OG1-OG1 3.3Å; D216-T219 WeakPolarHBondContact OD1-CB 3.47Å; D216-T219 WeakPolarHBondContact OD1-CG2 3.14Å; D216-T219 PolarHBondContact OD1-N 3.39Å; D216-T219 PolarHBondContact OD1-OG1 2.8Å
220W56.1Low56.4Low104 Ų104104.3 Ų104.339%0.39454%0.535SS..THydrogen-bonded Turntrans-98.2-2.2-176.2-93.526.2000115.7L209 K218 R222 A223 L402 A407L209-W220 HydrophobicContact CD1-CH2 4.25Å; L209-W220 HydrophobicContact CD1-CZ3 4.13Å; K218-W220 VanDerWaalsContact C-N 3.28Å; K218-W220 PolarHBondContact O-N 3.33Å; W220-R222 PolarHBondContact O-N 3.43Å; W220-R222 VanDerWaalsContact O-N 3.15Å; W220-A223 PolarHBondContact O-N 2.81Å; W220-A223 VanDerWaalsContact O-N 3.1Å; W220-L402 HydrophobicContact CH2-CD1 4.16Å; W220-L402 HydrophobicContact CZ2-CD1 4.41Å; W220-A407 HydrophobicContact CH2-CB 4.48Å; W220-A407 HydrophobicContact CZ2-CB 4.4Å
221S51.4Low54.7Low72 Ų72102.8 Ų102.850%0.50355%0.545SS..Hα-helixtrans-59-29.4178.6-74.30000113.1G217 K218 A223 R224G217-S221 PolarHBondContact O-N 2.99Å; G217-S221 PolarHBondContact O-OG 3.47Å; K218-S221 PolarHBondContact O-N 2.96Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 2.79Å; S221-R224 PolarHBondContact O-N 2.88Å
222R49.4Very low52.7Low223 Ų223101.9 Ų101.984%0.84255%0.548SS*.Hα-helixtrans-64.3-28.8177.7-161.6170.6-174.4137.6-0.5113.6W220W220-R222 PolarHBondContact O-N 3.43Å; W220-R222 VanDerWaalsContact O-N 3.15Å
223A48.9Very low51Low68 Ų68107.7 Ų107.756%0.56257%0.573SS**Hα-helixtrans-75.3-29.4-177.900000113.4W220 S221 S225W220-A223 PolarHBondContact O-N 2.81Å; W220-A223 VanDerWaalsContact O-N 3.1Å; S221-A223 VanDerWaalsContact C-N 3.3Å; S221-A223 PolarHBondContact O-N 2.79Å; A223-S225 VanDerWaalsContact C-N 3.34Å; A223-S225 PolarHBondContact O-N 2.66Å
224R46.4Very low49.3Very low156 Ų156107.3 Ų107.359%0.58956%0.564SS**Hα-helixtrans-68.1-31.7-179.4-82.7-179148.8158.4-6.9113.2S221 C226S221-R224 PolarHBondContact O-N 2.88Å; R224-C226 PolarHBondContact O-N 3.33Å
225S42.4Very low47.7Very low73 Ų73114 Ų11451%0.5160%0.597SS.*Hα-helixtrans-66.8-28.7-171.3-60.50000115.1A223A223-S225 VanDerWaalsContact C-N 3.34Å; A223-S225 PolarHBondContact O-N 2.66Å
226C38.7Very low46.2Very low81 Ų81121.7 Ų121.755%0.54763%0.629SS.*Hα-helixtrans-87.8-28.6-175.8-59.40000113.9R224 H230R224-C226 PolarHBondContact O-N 3.33Å; C226-H230 PolarHBondContact O-ND1 3.48Å
227S43.7Very low44.5Very low89 Ų89126.4 Ų126.462%0.62265%0.646SS**Hα-helixtrans-80.5-24.1-169.8-170.10000114
228L37.7Very low43.2Very low157 Ų157129.2 Ų129.282%0.82266%0.662SS**THydrogen-bonded Turntrans-97.3-0.6-168.3-145.175.1000115.5
229R36.6Very low41.9Very low197 Ų197127.2 Ų127.274%0.74367%0.669SS**SBendtrans-107.8-11.4-172.1-61.5-173.6-170.5-110.83.2115.7
230H41.6Very low41Very low139 Ų139124 Ų12464%0.64465%0.654SS**SBendtrans-105.9-2-167.2-69109.4000115.4C226C226-H230 PolarHBondContact O-ND1 3.48Å
231A41.1Very low40.1Very low87 Ų87122.6 Ų122.672%0.71966%0.66SS**SBendtrans-78.5-27.2-169.900000115.3
232D37.5Very low39.4Very low160 Ų160122.7 Ų122.786%0.85667%0.666SS**SBendtrans-100.8-1.7-162.5-65.9-43.1000115.7
233Q41Very low38.8Very low176 Ų176115.2 Ų115.282%0.82264%0.642SS**SBendtrans-109.7-11.6-165.8-64.2-1710.200116.8M235Q233-M235 PolarHBondContact O-N 3.04Å
234A37.5Very low38.2Very low59 Ų59115.6 Ų115.649%0.48863%0.634SS.*  trans-91.219.9-16100000117.8D51D51-A234 WeakPolarHBondContact OD2-CB 3.43Å
235M30.9Very low37.8Very low174 Ų174111.2 Ų111.286%0.85763%0.627SS**  trans-87107.6176.4-69.2-162.3-176.500112.6Q233Q233-M235 PolarHBondContact O-N 3.04Å
236F36.7Very low38.1Very low181 Ų181112 Ų11279%0.79463%0.631SS**  trans163.7121.8138.2-86.6-56.8000116.4
237K34.4Very low38.3Very low182 Ų182111.6 Ų111.679%0.79163%0.626SS**  trans67.5125142-58.8166.2-177.1170.10124.3
238P34.5Very low38.4Very low73 Ų73111 Ų11147%0.47462%0.616SS.*  trans-137.8163.6158.621.81.6000117.6N57N57-P238 HydrophobicContact CB-CG 4.14Å; N57-P238 PolarHBondContact ND2-O 3.04Å; N57-P238 VanDerWaalsContact ND2-O 3.11Å
239S37.4Very low38.7Very low124 Ų124109.6 Ų109.687%0.86760%0.603SS**  trans-164.9145178-158.40000116.3
240G37.5Very low39.1Very low28 Ų28105.6 Ų105.629%0.28961%0.605SS.*  trans173.7161.7173.600000119A60A60-G240 WeakPolarHBondContact CB-O 3.45Å
241S37.1Very low39.2Very low75 Ų75107.2 Ų107.252%0.52461%0.611SS.*  trans-154.9150.8-164.656.60000119.5A60A60-S241 VanDerWaalsContact O-CA 3.29Å; A60-S241 WeakPolarHBondContact O-CA 3.47Å
242A37.4Very low39.4Very low75 Ų75107 Ų10762%0.6260%0.603SS**  trans179.3165.7156.100000116.5S62S62-A242 CarbonylContact O-C 3.59Å; S62-A242 WeakPolarHBondContact OG-CA 3.42Å
243L36Very low39.5Very low66 Ų66105.6 Ų105.635%0.34660%0.596SS.*  trans-160168.1-169.2-104.8-168.9000120.5D61 S62 S63 I64D61-L243 HydrophobicContact CB-CD1 3.52Å; D61-L243 HydrophobicContact CB-CG 3.91Å; D61-L243 VanDerWaalsContact CG-CD1 3.47Å; D61-L243 WeakPolarHBondContact OD1-CD1 3.48Å; D61-L243 WeakPolarHBondContact OD1-CG 3.27Å; S62-L243 WeakPolarHBondContact O-CA 3.37Å; S62-L243 VanDerWaalsContact O-CB 3.27Å; S62-L243 WeakPolarHBondContact O-CB 3.16Å; S62-L243 PolarHBondContact O-N 3.49Å; S63-L243 CarbonylContact C-O 3.32Å; S63-L243 VanDerWaalsContact C-O 3.32Å; I64-L243 PolarHBondContact N-O 2.87Å
244L36.6Very low39.4Very low76 Ų76105.7 Ų105.740%0.39860%0.597SS.*  trans86.7168.7149.1-76.4167.8000124.6S63 I64 K65S63-L244 VanDerWaalsContact OG-CD1 3.25Å; S63-L244 WeakPolarHBondContact OG-CD1 3.46Å; I64-L244 VanDerWaalsContact C-CB 3.4Å; I64-L244 CarbonylContact O-C 3.54Å; I64-L244 VanDerWaalsContact O-CB 3.23Å; I64-L244 WeakPolarHBondContact O-CB 3.41Å; K65-L244 HydrophobicContact CD-CD2 4.12Å; K65-L244 HydrophobicContact CG-CB 3.87Å; K65-L244 HydrophobicContact CG-CD1 4.21Å; K65-L244 HydrophobicContact CG-CD2 3.72Å; K65-L244 HydrophobicContact CG-CG 4.11Å
245S37.1Very low39.4Very low63 Ų63106.3 Ų106.344%0.44160%0.602SS.*  trans-165.8178.5-153.874.20000117.8I64 K65I64-S245 PolarHBondContact O-N 3.31Å; K65-S245 WeakPolarHBondContact CA-O 3.48Å; K65-S245 WeakPolarHBondContact CB-O 3.18Å; K65-S245 WeakPolarHBondContact CD-O 3.25Å; K65-S245 WeakPolarHBondContact CE-O 3.31Å; K65-S245 WeakPolarHBondContact CG-O 3.18Å; K65-S245 PolarHBondContact NZ-O 2.97Å
246P49.1Very low40Very low89 Ų89106.6 Ų106.658%0.57861%0.605SS**  trans-98.1-162.9-169.339.5-37.3000118.3K65K65-P246 PolarHBondContact NZ-O 2.84Å
247T43.6Very low40Very low73 Ų73105 Ų10545%0.44860%0.6SS.*  trans-127.9-146.9-172.242.10000114.5E67E67-T247 WeakPolarHBondContact CA-OG1 3.23Å; E67-T247 HydrophobicContact CG-CG2 4.26Å; E67-T247 WeakPolarHBondContact CG-OG1 3.38Å; E67-T247 WeakPolarHBondContact OE1-CG2 3.27Å; E67-T247 WeakPolarHBondContact OE2-CB 3.26Å; E67-T247 WeakPolarHBondContact OE2-CG2 3.17Å; E67-T247 PolarHBondContact OE2-OG1 3.46Å
248D44.5Very low40.3Very low77 Ų77104.5 Ų104.541%0.41260%0.598SS.*  cis-171.5177.129.4-168.324.8000108.1
249K45.5Very low40.6Very low128 Ų128106.9 Ų106.956%0.55762%0.616SS**  cis-150.2-157.81.6-148.5157.1-145.768.40107.5
250S43.5Very low40.6Very low113 Ų113104.4 Ų104.479%0.7961%0.61SS**  cis-154.9-90.22.554.30000118.2
251K44.2Very low40.7Very low173 Ų173111.8 Ų111.875%0.75264%0.642SS**  trans-152.8153.7-147.6171.9178.2179.2173.30111.4D253K251-D253 WeakPolarHBondContact CE-OD2 3.19Å; K251-D253 IonicContact NZ-OD2 3.79Å
252S44.8Very low41.4Very low81 Ų81113.9 Ų113.957%0.56665%0.654SS**  cis-174-155.8-15.853.60000108.1
253D40.4Very low41.8Very low132 Ų132115.8 Ų115.871%0.70666%0.66SS**  cis-136.1-148.6-4.6-94.6-48.2000107.3K251K251-D253 WeakPolarHBondContact CE-OD2 3.19Å; K251-D253 IonicContact NZ-OD2 3.79Å
254E39.1Very low42.1Very low178 Ų178119.4 Ų119.483%0.83268%0.678SS**  cis-156.3-1525.1-147.9-126.678.900111.6
255A37.9Very low42.3Very low72 Ų72122 Ų12260%0.59570%0.697SS**  trans-128.3145.5-154.900000121.3
256I43.6Very low42.5Very low179 Ų179125.3 Ų125.392%0.91872%0.715SS**  -178.7157.7123.8-92.8166.8000109.5
257E35.9Very low41.9Very low149 Ų149125 Ų12570%0.69672%0.72SS**  trans-130.4168.6-153.8-154.5-152.4-178.600115.5
258K40.2Very low41.7Very low171 Ų171128.1 Ų128.174%0.74374%0.739SS**  trans76.5134170.3-54-179.4172.170.60114.9
259S41.2Very low41.4Very low122 Ų122127.9 Ų127.985%0.85374%0.743SS**  cis-172.3171.74952.70000113.3
260G37Very low40.9Very low73 Ų73132.4 Ų132.475%0.75376%0.757SS**  trans94122.2156.700000118.2
261L40.7Very low40.8Very low182 Ų182135 Ų13595%0.95376%0.762SS**  trans-109.1128.5177.1-89.1165.4000112.4
262P52.4Low40.3Very low119 Ų119130.7 Ų130.777%0.77375%0.754SS**  trans-116134.8178.737.4-28.4000115.4
263P43.9Very low40.1Very low115 Ų115135.9 Ų135.975%0.74777%0.766SS**  trans-132.8-170.4179.244.3-31.1000116.3
264I42.9Very low39.9Very low143 Ų143134.7 Ų134.773%0.73377%0.768SS**  trans87.193.1158-65.1170.9000119.6
265T41Very low40.1Very low129 Ų129137.5 Ų137.579%0.79177%0.771SS**  trans71.7158.314569.30000119.6
266T40.7Very low40.4Very low133 Ų133144 Ų14482%0.81679%0.787SS**  cis-128.9174.710.746.60000114
267A36.8Very low40.7Very low84 Ų84144.5 Ų144.569%0.69478%0.782SS**  trans-79.8175.5173.400000112.2
268T39Very low41.4Very low137 Ų137143.6 Ų143.684%0.8479%0.789SS**  cis-164.2168.920.5-25.80000112.5
269S38.5Very low42Very low72 Ų72143.3 Ų143.350%0.50380%0.795SS.*  trans7996144.9-1710000122.1
270R35.4Very low42.4Very low223 Ų223143 Ų14384%0.84279%0.79SS**  52.5108.4127.1-58.5174.1-69.1-173.1-2.6119.6
271N40.7Very low43.5Very low167 Ų167147 Ų14789%0.89379%0.793SS**  trans-152.9167145.1-116.7-53.5000112.7
272S33.8Very low44Very low84 Ų84145.3 Ų145.359%0.58778%0.783SS**  trans-133.6169.3-168.164.50000114.9
273K40.9Very low43.7Very low190 Ų190146.3 Ų146.383%0.82678%0.781SS**  trans89.2157-175.8-46.8140.8-160.31570112.1
274S36.7Very low43.8Very low107 Ų107143.9 Ų143.975%0.74877%0.765SS**  cis-148.3159.65.6-168.90000111.2
275R42.6Very low43.8Very low237 Ų237142.6 Ų142.689%0.89477%0.766SS**  trans-90.3125.7171.3-77.3-166.1-72.3175.7-6.4111.9
276F45.1Very low43.7Very low209 Ų209145.2 Ų145.292%0.91776%0.763SS**  trans-62.4160.4175.4-86.8-102.1000113.7
277K48.7Very low43.9Very low189 Ų189143.7 Ų143.782%0.82275%0.753SS**  trans-134.6137.1166.7-66.3177.3-176.9170.90108.8
278P51.8Low43.8Very low129 Ų129147 Ų14784%0.83875%0.752SS**PPolyproline II helixtrans-70.2159.6-18029.2-35000112.6
279L52.8Low43.9Very low166 Ų166147.9 Ų147.987%0.86975%0.745SS**PPolyproline II helixtrans-66.2146.6-175.9-69.4149.6000112.4L281L279-L281 PolarHBondContact O-N 3.46Å
280P48Very low43.5Very low114 Ų114151.4 Ų151.474%0.7476%0.758SS**PPolyproline II helixtrans-74.3125.6175.830.4-33.2000111.3I282P280-I282 PolarHBondContact O-N 3.13Å
281L60.1Low43.6Very low159 Ų159150.1 Ų150.183%0.83275%0.753SS**PPolyproline II helixtrans-71.7126.2-177.8-150.8154.3000111L279 I283L279-L281 PolarHBondContact O-N 3.46Å; L281-I283 HydrophobicContact CD2-CG1 4.43Å
282I51.4Low43.6Very low145 Ų145151 Ų15174%0.74475%0.749SS**PPolyproline II helixtrans-91130.2-175.8-59.4173.8000109.7P280P280-I282 PolarHBondContact O-N 3.13Å
283I46.8Very low43.7Very low141 Ų141152.3 Ų152.372%0.72375%0.746SS**  trans-119.5115.4170.4-59.3178.9000107.8L281L281-I283 HydrophobicContact CD2-CG1 4.43Å
284P45.2Very low43.3Very low63 Ų63147.6 Ų147.641%0.40974%0.737SS.*  trans-64.9152.8-175.5-23.434000114.3Y286P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 HydrophobicContact CB-CD1 3.78Å; P284-Y286 HydrophobicContact CB-CE1 3.38Å; P284-Y286 HydrophobicContact CG-CE1 4.3Å; P284-Y286 PolarHBondContact O-N 3.37Å
285P43.1Very low43.4Very low116 Ų116148.8 Ų148.875%0.75373%0.731SS**THydrogen-bonded Turntrans-78.62.1-171.231.8-37.1000115.5
286Y40.2Very low43.1Very low184 Ų184145.7 Ų145.772%0.72273%0.731SS**THydrogen-bonded Turntrans-11421.8-163.260.1-100.9000116.4P284 F288P284-Y286 VanDerWaalsContact C-N 3.27Å; P284-Y286 HydrophobicContact CB-CD1 3.78Å; P284-Y286 HydrophobicContact CB-CE1 3.38Å; P284-Y286 HydrophobicContact CG-CE1 4.3Å; P284-Y286 PolarHBondContact O-N 3.37Å; Y286-F288 VanDerWaalsContact C-N 3.25Å; Y286-F288 PolarHBondContact O-N 3.41Å
287V44.1Very low42.7Very low102 Ų102141.9 Ų141.962%0.61871%0.71SS**  trans-92.540166.2-66.50000113.1F289V287-F289 VanDerWaalsContact C-N 3.29Å; V287-F289 HydrophobicContact CB-CD2 4.31Å; V287-F289 HydrophobicContact CB-CE2 4.29Å; V287-F289 HydrophobicContact CG1-CE2 4.22Å; V287-F289 PolarHBondContact O-N 3.03Å
288F34.1Very low42.3Very low153 Ų153137 Ų13767%0.67170%0.7SS**  trans-68.792.5152.5-83.3-85.7000107.9Y286 N290Y286-F288 VanDerWaalsContact C-N 3.25Å; Y286-F288 PolarHBondContact O-N 3.41Å; F288-N290 PolarHBondContact O-N 2.98Å
289F42.4Very low41.7Very low156 Ų156134.2 Ų134.268%0.68468%0.682SS**  trans-72.669.5168.9-88.2-83.5000110.7V287 R291V287-F289 VanDerWaalsContact C-N 3.29Å; V287-F289 HydrophobicContact CB-CD2 4.31Å; V287-F289 HydrophobicContact CB-CE2 4.29Å; V287-F289 HydrophobicContact CG1-CE2 4.22Å; V287-F289 PolarHBondContact O-N 3.03Å; F289-R291 HydrophobicContact CD1-CG 4.23Å; F289-R291 PolarHBondContact O-N 3.43Å
290N30.4Very low41.3Very low145 Ų145131 Ų13178%0.77567%0.673SS**THydrogen-bonded Turntrans-66.167.4162.5-71-3.7000109.2F288F288-N290 PolarHBondContact O-N 2.98Å
291R36.7Very low40.7Very low197 Ų197134.1 Ų134.174%0.74368%0.676SS**THydrogen-bonded Turntrans-116.6-20.2176.6-80.5-157.3-178.3-156.55.2114.5F289F289-R291 HydrophobicContact CD1-CG 4.23Å; F289-R291 PolarHBondContact O-N 3.43Å
292F41.3Very low39.8Very low184 Ų184131.6 Ų131.681%0.80767%0.671SS**SBendtrans-105.899.7166.6-66-71.7000108.8
293Q35.3Very low39.1Very low112 Ų112130.6 Ų130.652%0.52367%0.667SS.*  trans-50.3153.6174.9-63.7173.7-32.100110.3Q295Q293-Q295 PolarHBondContact O-N 2.91Å
294S31.9Very low38.7Very low91 Ų91130.9 Ų130.964%0.63667%0.67SS**  trans-43110-178.240.20000112.4L296 R297S294-L296 PolarHBondContact O-N 3.4Å; S294-R297 PolarHBondContact O-NE 3.41Å
295Q38.7Very low38.3Very low133 Ų133135.9 Ų135.962%0.62169%0.694SS**  trans-76.553.9174.2-61-86.334.600109.8Q293 R297Q293-Q295 PolarHBondContact O-N 2.91Å; Q295-R297 HydrophobicContact CB-CB 4.45Å; Q295-R297 PolarHBondContact O-N 3.18Å; Q295-R297 VanDerWaalsContact OE1-CB 3.3Å
296L37.2Very low37.8Very low172 Ų172133.9 Ų133.990%0.90169%0.694SS**  trans-7549.6149.6-67.9177.1000108.1S294S294-L296 PolarHBondContact O-N 3.4Å
297R36.6Very low37.7Very low128 Ų128133.3 Ų133.348%0.48370%0.702SS.*SBendtrans-134.4144.6-163.3-66.5173.6-176.6-144.2-4.5106.5S294 Q295S294-R297 PolarHBondContact O-NE 3.41Å; Q295-R297 HydrophobicContact CB-CB 4.45Å; Q295-R297 PolarHBondContact O-N 3.18Å; Q295-R297 VanDerWaalsContact OE1-CB 3.3Å
298S39.9Very low37.5Very low87 Ų87131.8 Ų131.861%0.60870%0.695SS**  trans-45.6136.6176.746.10000112S300S298-S300 PolarHBondContact O-N 3.32Å
299P40.5Very low37.9Very low71 Ų71133.6 Ų133.646%0.46171%0.708SS.*  trans-48.6128.9151.8-21.333.1000108F301 T316P299-F301 PolarHBondContact O-N 2.88Å; P299-T316 HydrophobicContact CB-CG2 3.99Å
300S43.6Very low38Very low97 Ų97132.5 Ų132.568%0.67871%0.708SS**  trans-60.4133.7-170.5-62.10000112.1S298 S302S298-S300 PolarHBondContact O-N 3.32Å; S300-S302 PolarHBondContact O-N 2.95Å
301F36.1Very low38.4Very low181 Ų181129.8 Ų129.879%0.79472%0.715SS**  trans-67.8115.9143.7-65.1-89.7000106.6P299P299-F301 PolarHBondContact O-N 2.88Å
302S40Very low38.9Very low105 Ų105125.5 Ų125.573%0.73471%0.71SS**  trans-136.188.1167.359.10000106.2S300S300-S302 PolarHBondContact O-N 2.95Å
303D37.6Very low39.2Very low124 Ų124128 Ų12866%0.66371%0.714SS**  trans-73.8144.7-167.8-50-80.3000112.1
304N37.1Very low39.8Very low148 Ų148127.3 Ų127.379%0.79173%0.728SS**SBendtrans64138.9165.7-60.1-22.4000119.9G306N304-G306 PolarHBondContact O-N 3.09Å
305N36.8Very low41.1Very low168 Ų168134.2 Ų134.290%0.89874%0.74SS**  trans52.753.7154.7-63.915.8000118.7
306G33.2Very low42.2Very low74 Ų74132.7 Ų132.776%0.76374%0.74SS**  trans-121.299.3166.100000113.2N304 S308N304-G306 PolarHBondContact O-N 3.09Å; G306-S308 PolarHBondContact O-N 3.38Å
307I37.6Very low43.4Very low172 Ų172129.4 Ų129.488%0.88273%0.729SS**  trans-72.5112.4168.6-61.7172.7000108.3
308S40.1Very low44.9Very low69 Ų69132.5 Ų132.548%0.48374%0.742SS.*  trans-73.4137.316452.10000109.9G306 I310G306-S308 PolarHBondContact O-N 3.38Å; S308-I310 CarbonylContact O-C 3.52Å; S308-I310 PolarHBondContact O-N 3.22Å; S308-I310 PolarHBondContact OG-O 2.85Å; S308-I310 VanDerWaalsContact OG-O 3.08Å
309M42.5Very low46.5Very low192 Ų192133.4 Ų133.495%0.94674%0.744SS**SBendtrans-57-0.5-179.4-75.8-77.2-71.400116.1
310I44.7Very low48.1Very low132 Ų132134.1 Ų134.168%0.67775%0.749SS**SBendtrans-129.2122.9172.8-59.3173.2000105.3S308 V312S308-I310 CarbonylContact O-C 3.52Å; S308-I310 PolarHBondContact O-N 3.22Å; S308-I310 PolarHBondContact OG-O 2.85Å; S308-I310 VanDerWaalsContact OG-O 3.08Å; I310-V312 HydrophobicContact CG2-CG2 4.33Å; I310-V312 PolarHBondContact O-N 2.83Å
311G38.5Very low49.5Very low89 Ų89134.2 Ų134.292%0.91875%0.747SS**  trans-71.528.6-164.500000117.2
312V48.5Very low51.2Low106 Ų106129.9 Ų129.964%0.64274%0.737SS**  trans-101.5117.7-178.7-179.60000109.6I310 A314I310-V312 HydrophobicContact CG2-CG2 4.33Å; I310-V312 PolarHBondContact O-N 2.83Å; V312-A314 PolarHBondContact O-N 3.35Å
313R46.8Very low52.9Low236 Ų236133 Ų13389%0.89174%0.744SS**  trans-60.9108.1172-76.1-175.6174.3-174.2-0.8110R315R313-R315 PolarHBondContact O-N 3.46Å
314A49Very low54.3Low99 Ų99132.6 Ų132.682%0.81874%0.741SS**  trans-66.39517600000111.1V312 T316V312-A314 PolarHBondContact O-N 3.35Å; A314-T316 PolarHBondContact O-N 3.12Å
315R57.7Low55.9Low235 Ų235129.4 Ų129.489%0.88773%0.73SS**PPolyproline II helixtrans-69.5128172.5-61.1-171.4-174.7-147.85.2109.3R313R313-R315 PolarHBondContact O-N 3.46Å
316T63.1Low57.3Low102 Ų102125.6 Ų125.663%0.62672%0.715SS**PPolyproline II helixtrans-65.5134.4174.335.80000110.5P299 A314 Y318P299-T316 HydrophobicContact CB-CG2 3.99Å; A314-T316 PolarHBondContact O-N 3.12Å; T316-Y318 PolarHBondContact O-N 2.83Å
317P62.1Low58.8Low103 Ų103129.7 Ų129.767%0.66972%0.718SS**PPolyproline II helixtrans-69.7132.8-17726.8-33.7000111.4T319P317-T319 PolarHBondContact O-N 3.2Å
318Y68.3Low60.4Low192 Ų192129.3 Ų129.375%0.75371%0.706SS**PPolyproline II helixtrans-59.4130.9178175.4-98.4000111.6T316 P320T316-Y318 PolarHBondContact O-N 2.83Å; Y318-P320 HydrophobicContact CE1-CB 3.82Å; Y318-P320 HydrophobicContact CE1-CG 4.41Å
319T73.1Confident61.5Low106 Ų106137.4 Ų137.465%0.6573%0.726SS**  trans-121117.3172.8-58.60000108.1P317P317-T319 PolarHBondContact O-N 3.2Å
320P73.1Confident62.7Low87 Ų87130.5 Ų130.557%0.56570%0.704SS**PPolyproline II helixtrans-67.9150.4-176.926.1-33.7000112.3Y318Y318-P320 HydrophobicContact CE1-CB 3.82Å; Y318-P320 HydrophobicContact CE1-CG 4.41Å
321P73.3Confident63.5Low99 Ų99130.3 Ų130.364%0.64372%0.715SS**PPolyproline II helixtrans-65.5154.3174.928.8-35.1000111.6I323P321-I323 PolarHBondContact O-N 3.06Å
322P72.2Confident64.8Low89 Ų89128.2 Ų128.258%0.57869%0.693SS**PPolyproline II helixtrans-66.1131.8179.627.5-34.5000111.6L324 P326P322-L324 PolarHBondContact O-N 2.92Å; P322-P326 HydrophobicContact CG-CG 4.42Å
323I74.8Confident65.4Low171 Ų171131.1 Ų131.188%0.87770%0.704SS**SBendtrans-59.7-21.1-177.8-60.2167.9000112.8P321P321-I323 PolarHBondContact O-N 3.06Å
324L67.8Low66.1Low115 Ų115126.3 Ų126.360%0.60269%0.69SS**SBendtrans-129.1143.9-179.3-62.2174.8000110.6P322P322-L324 PolarHBondContact O-N 2.92Å
325S69.9Low66.3Low81 Ų81124.8 Ų124.857%0.56667%0.672SS**  trans-66.1127.9-178.1560000112.2L327 R328S325-L327 PolarHBondContact O-N 2.85Å; S325-R328 WeakPolarHBondContact O-CB 3.42Å; S325-R328 PolarHBondContact O-N 3.34Å; S325-R328 VanDerWaalsContact O-N 3.11Å
326P67.7Low66.2Low89 Ų89124.5 Ų124.558%0.57867%0.671SS**THydrogen-bonded Turntrans-61.8-17.3-177.9-27.135.6000115.3P322P322-P326 HydrophobicContact CG-CG 4.42Å
327L64.7Low65.9Low159 Ų159126.3 Ų126.383%0.83268%0.676SS**THydrogen-bonded Turntrans-92.71.4-179.4-60.4176.5000113.7S325 R329S325-L327 PolarHBondContact O-N 2.85Å; L327-R329 PolarHBondContact O-N 2.93Å
328R70.8Confident65.4Low165 Ų165131 Ų13162%0.62368%0.68SS**  trans-63.8130.2-177.9-166.3-168.1-174.9-81.411.5111.6S325S325-R328 WeakPolarHBondContact O-CB 3.42Å; S325-R328 PolarHBondContact O-N 3.34Å; S325-R328 VanDerWaalsContact O-N 3.11Å
329R62.7Low64.6Low238 Ų238133.2 Ų133.290%0.89869%0.687SS**  trans-65.2137.2166.7-65.4-168.8-174.5-151.85.7110.1L327L327-R329 PolarHBondContact O-N 2.93Å
330G67.1Low63.1Low48 Ų48134.1 Ų134.150%0.49570%0.695SS.*SBendtrans146.5167.817800000112.4C335G330-C335 WeakPolarHBondContact O-CB 3.26Å; G330-C335 PolarHBondContact O-SG 3.26Å; G330-C335 VanDerWaalsContact O-SG 3.4Å
331S63.2Low61.3Low128 Ų128135.5 Ų135.590%0.89571%0.706SS**SBendtrans-87.2105.5175.240.50000110.8
332G64.5Low60Low45 Ų45136 Ų13646%0.46471%0.71SS.*SBendtrans-158.1169.6178.600000112.3F334 C335G332-F334 PolarHBondContact O-N 2.93Å; G332-C335 PolarHBondContact N-SG 2.78Å; G332-C335 VanDerWaalsContact N-SG 3.42Å; G332-C335 WeakPolarHBondContact O-CB 3.25Å; G332-C335 PolarHBondContact O-N 3.49Å; G332-C335 PolarHBondContact O-SG 2.65Å
333L62.3Low58.9Low167 Ų167138.7 Ų138.787%0.87472%0.724SS**THydrogen-bonded Turntrans-52-32.2-174.7-83.4157.5000114
334F60.8Low57.2Low135 Ų135134.8 Ų134.859%0.59272%0.717SS**THydrogen-bonded Turntrans-90.7-9.7-178.1-44.7-70000114.1G332 R336 I337G332-F334 PolarHBondContact O-N 2.93Å; F334-R336 VanDerWaalsContact C-N 3.29Å; F334-R336 PolarHBondContact O-N 3.34Å; F334-I337 WeakPolarHBondContact O-CD1 3.34Å; F334-I337 WeakPolarHBondContact O-CG1 3.39Å
335C54Low55.5Low66 Ų66135.4 Ų135.445%0.44673%0.728SS.*THydrogen-bonded Turntrans-78.4-8-169.984.40000114.7G330 G332G330-C335 WeakPolarHBondContact O-CB 3.26Å; G330-C335 PolarHBondContact O-SG 3.26Å; G330-C335 VanDerWaalsContact O-SG 3.4Å; G332-C335 PolarHBondContact N-SG 2.78Å; G332-C335 VanDerWaalsContact N-SG 3.42Å; G332-C335 WeakPolarHBondContact O-CB 3.25Å; G332-C335 PolarHBondContact O-N 3.49Å; G332-C335 PolarHBondContact O-SG 2.65Å
336R54.6Low53.9Low229 Ų229141.8 Ų141.886%0.86475%0.746SS**THydrogen-bonded Turntrans-92.37.7-166.1-122.3174.1-176.4158.70.9115F334 R338F334-R336 VanDerWaalsContact C-N 3.29Å; F334-R336 PolarHBondContact O-N 3.34Å; R336-R338 PolarHBondContact O-N 2.81Å; R336-R338 VanDerWaalsContact O-N 3.13Å
337I57.9Low52.5Low141 Ų141143 Ų14372%0.72376%0.756SS**SBendtrans-75.30.4-167-60.9172.6000113.8F334F334-I337 WeakPolarHBondContact O-CD1 3.34Å; F334-I337 WeakPolarHBondContact O-CG1 3.39Å
338R49.8Very low51Low200 Ų200140 Ų14076%0.75576%0.755SS**SBendtrans-14379.1178.3-69.3-173.7177143.82.5114.7R336R336-R338 PolarHBondContact O-N 2.81Å; R336-R338 VanDerWaalsContact O-N 3.13Å
339R52.1Low49.6Very low239 Ų239137.1 Ų137.190%0.90276%0.757SS**  trans-150.6146.7154.4-70.9-162.6179.5160.91.8111.3
340P42.1Very low48.4Very low126 Ų126131.4 Ų131.482%0.81875%0.749SS**  trans-84172.3176.634.7-35.8000114.2
341S35.9Very low47.1Very low115 Ų115135.2 Ų135.280%0.80477%0.766SS**  trans-26.3165.5167.9-105.60000119.5
342P45.7Very low45.8Very low110 Ų110139.2 Ų139.271%0.71476%0.763SS**  cis-139.3-171.719.932.5-8.3000117.6
343V49.7Very low44.6Very low146 Ų146141.2 Ų141.289%0.88577%0.77SS**SBendtrans71.861164.8-154.70000117.8
344A37.4Very low43.4Very low89 Ų89143 Ų14374%0.73677%0.766SS**SBendtrans-149.7159.7157.900000109.3
345P32.2Very low42.5Very low128 Ų128145.6 Ų145.683%0.83178%0.776SS**  trans-68.9157.1-162.923.7-33.3000116.7S347P345-S347 PolarHBondContact O-N 3.25Å
346K36.1Very low42Very low214 Ų214149 Ų14993%0.9379%0.786SS**SBendtrans-84.491.2-161.7-55.4171.5-176.2176.70113.7
347S38.7Very low41.3Very low115 Ų115143 Ų14380%0.80478%0.779SS**  trans-155.83.5166.465.10000117.1P345 P349P345-S347 PolarHBondContact O-N 3.25Å; S347-P349 WeakPolarHBondContact O-CD 3.39Å
348A33Very low40.5Very low97 Ų97145.2 Ų145.280%0.80278%0.784SS**  trans-103.996.7-177.600000111.7
349P41.4Very low40.5Very low103 Ų103146.5 Ų146.567%0.66979%0.789SS**  trans-72.2142.5176.629.7-35000112S347S347-P349 WeakPolarHBondContact O-CD 3.39Å
350V38.3Very low39.6Very low118 Ų118140.5 Ų140.572%0.71577%0.771SS**  trans-65.5144.5168.5178.30000109.5Y352V350-Y352 HydrophobicContact CG1-CD2 4.13Å; V350-Y352 HydrophobicContact CG1-CE2 3.76Å
351C40Very low39.3Very low129 Ų129141 Ų14187%0.87277%0.767SS**  trans-143.2152.2159.1-136.90000111.6
352Y35.5Very low39.7Very low211 Ų211145.4 Ų145.483%0.82777%0.766SS**PPolyproline II helixtrans-98.3157.6-155.5-80.2-108.3000114.4V350V350-Y352 HydrophobicContact CG1-CD2 4.13Å; V350-Y352 HydrophobicContact CG1-CE2 3.76Å
353S39.8Very low39.2Very low88 Ų88146.3 Ų146.362%0.61576%0.759SS**PPolyproline II helixtrans-73.3121.6169.8175.50000110.4
354R36.7Very low38.4Very low205 Ų205145.4 Ų145.477%0.77475%0.745SS**PPolyproline II helixtrans-89.9122.7157.3-175.9167.3-83.4-102.87.8108E356R354-E356 WeakPolarHBondContact CD-OE1 3.31Å; R354-E356 HydrophobicContact CG-CG 4.16Å; R354-E356 WeakPolarHBondContact CG-OE1 3.47Å; R354-E356 IonicContact CZ-OE1 3.55Å; R354-E356 IonicContact NE-OE1 3.7Å; R354-E356 IonicContact NH1-OE1 2.67Å; R354-E356 PolarHBondContact NH1-OE1 2.88Å
355K41.4Very low38.4Very low188 Ų188147.1 Ų147.182%0.81775%0.746SS**  trans-100.296.5179.6-68.4176.3179.8176.10108.9
356E43.8Very low38.5Very low137 Ų137149.2 Ų149.264%0.6475%0.748SS**  trans-130.7134.7174.3-73.1169.1-149.800109.5R354R354-E356 WeakPolarHBondContact CD-OE1 3.31Å; R354-E356 HydrophobicContact CG-CG 4.16Å; R354-E356 WeakPolarHBondContact CG-OE1 3.47Å; R354-E356 IonicContact CZ-OE1 3.55Å; R354-E356 IonicContact NE-OE1 3.7Å; R354-E356 IonicContact NH1-OE1 2.67Å; R354-E356 PolarHBondContact NH1-OE1 2.88Å
357S39.1Very low38.4Very low104 Ų104141.9 Ų141.973%0.72772%0.724SS**  trans-114.980.4-146.251.30000113.6
358F41.4Very low38.5Very low187 Ų187145.7 Ų145.782%0.8272%0.721SS**THydrogen-bonded Turntrans-85.3-1.6177.7-159.5-105.8000114.5E360F358-E360 VanDerWaalsContact C-N 3.35Å; F358-E360 PolarHBondContact O-N 3.41Å
359W49.5Very low38.7Very low227 Ų227149.2 Ų149.286%0.8671%0.714SS**THydrogen-bonded Turntrans-77.1-10-173.3-74.1103.6000116K363W359-K363 WeakPolarHBondContact O-CE 3.32Å
360E34.6Very low38.5Very low113 Ų113151.7 Ų151.753%0.52872%0.722SS.*SBendtrans-89.5-43.3-164.1-130.454.5-10600114F358 K363F358-E360 VanDerWaalsContact C-N 3.35Å; F358-E360 PolarHBondContact O-N 3.41Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 3.07Å
361N34.4Very low38.6Very low138 Ų138154 Ų15474%0.73872%0.723SS**THydrogen-bonded Turntrans-90.5141.2-171-74.6-27.1000112.5
362R44.8Very low38.7Very low206 Ų206155.5 Ų155.578%0.77772%0.716SS**THydrogen-bonded Turntrans7334.5-175.6-61.6-178-71.9-156.1-2.6116.2H364R362-H364 CarbonylContact C-O 3.58Å; R362-H364 VanDerWaalsContact CA-N 3.35Å; R362-H364 WeakPolarHBondContact CA-O 3.47Å; R362-H364 VanDerWaalsContact CB-O 3.29Å; R362-H364 WeakPolarHBondContact CB-O 3.45Å; R362-H364 WeakPolarHBondContact CG-O 3.39Å; R362-H364 PolarHBondContact O-N 3.36Å; R362-H364 VanDerWaalsContact O-N 3.1Å
363K35.9Very low38.6Very low129 Ų129155.2 Ų155.256%0.56172%0.72SS**SBendtrans-67.524.1133.8-60.1164.6-170.6166.40111.9W359 E360W359-K363 WeakPolarHBondContact O-CE 3.32Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 3.07Å
364H31.7Very low38.6Very low128 Ų128158.7 Ų158.759%0.59372%0.724SS**  trans-147.3131.8-175.3-42.5-45000104.7R362R362-H364 CarbonylContact C-O 3.58Å; R362-H364 VanDerWaalsContact CA-N 3.35Å; R362-H364 WeakPolarHBondContact CA-O 3.47Å; R362-H364 VanDerWaalsContact CB-O 3.29Å; R362-H364 WeakPolarHBondContact CB-O 3.45Å; R362-H364 WeakPolarHBondContact CG-O 3.39Å; R362-H364 PolarHBondContact O-N 3.36Å; R362-H364 VanDerWaalsContact O-N 3.1Å
365T38.4Very low38.8Very low124 Ų124158.4 Ų158.476%0.76173%0.728SS**  cis-111.8102.517.37.40000111.7S367T365-S367 PolarHBondContact O-N 2.81Å
366I33.5Very low38.9Very low173 Ų173156.4 Ų156.489%0.88772%0.722SS**  trans-63.998.4146.1-67.4175.2000104.8
367S34.9Very low39.4Very low59 Ų59158.4 Ų158.441%0.41373%0.728SS.*  trans-157.4108.1-171.6179.70000112.4T365T365-S367 PolarHBondContact O-N 2.81Å
368R39.5Very low40.4Very low195 Ų195163.9 Ų163.974%0.73674%0.74SS**  60.5115129-53.2-178.8-170.9169.70.6117
369Y37.5Very low41.8Very low171 Ų171159.2 Ų159.267%0.67172%0.72SS**  cis-147.2153.4-6.4-76.7-64.2000105.1K371Y369-K371 HydrophobicContact CD1-CG 4.4Å
370D36.9Very low43Very low155 Ų155155.3 Ų155.383%0.82972%0.715SS**  -139.716165.8-136.6-30.4000115.6H372D370-H372 PolarHBondContact O-N 2.97Å
371K42.1Very low45Very low168 Ų168154.2 Ų154.273%0.7371%0.712SS**  trans-89.122-163.8-73.2-174.6-179.9174.40115.8Y369 F373Y369-K371 HydrophobicContact CD1-CG 4.4Å; K371-F373 PolarHBondContact O-N 3.47Å
372H40.3Very low47Very low159 Ų159153.3 Ų153.374%0.73671%0.712SS**  trans-74.591.3170.1-103-91.2000110.9D370 F374D370-H372 PolarHBondContact O-N 2.97Å; H372-F374 HydrophobicContact CB-CD2 4.13Å; H372-F374 HydrophobicContact CB-CE2 4.45Å; H372-F374 AromaticContact ND1-CD2 3.94Å; H372-F374 AromaticContact ND1-CE2 3.56Å; H372-F374 PolarHBondContact O-N 2.83Å
373F34.6Very low48.3Very low206 Ų206144.1 Ų144.190%0.90468%0.681SS**  trans-74.161.8173.6-146.7-70.2000110.1K371 K375K371-F373 PolarHBondContact O-N 3.47Å; F373-K375 PolarHBondContact O-N 2.88Å; F373-K375 VanDerWaalsContact O-N 3.16Å
374F39.1Very low50.2Low160 Ų160143.6 Ų143.670%0.70269%0.689SS**  trans-55.9125.1169.3-96-79000108H372 E376H372-F374 HydrophobicContact CB-CD2 4.13Å; H372-F374 HydrophobicContact CB-CE2 4.45Å; H372-F374 AromaticContact ND1-CD2 3.94Å; H372-F374 AromaticContact ND1-CE2 3.56Å; H372-F374 PolarHBondContact O-N 2.83Å; F374-E376 PolarHBondContact O-N 2.71Å
375K41.1Very low52.4Low199 Ų199143.8 Ų143.887%0.86569%0.69SS**  trans-76.653.1178.8-167.3178.7179.8178.30109.1F373 K377F373-K375 PolarHBondContact O-N 2.88Å; F373-K375 VanDerWaalsContact O-N 3.16Å; K375-K377 PolarHBondContact O-N 2.84Å
376E43.5Very low54.3Low146 Ų146143.8 Ų143.868%0.68268%0.677SS**  trans-72.179.5-178.2-169.2159.1-12700108.6F374 F378 H379F374-E376 PolarHBondContact O-N 2.71Å; E376-F378 PolarHBondContact O-N 3.19Å; E376-H379 IonicContact OE1-CE1 3.43Å; E376-H379 PolarHBondContact OE1-CE1 2.86Å
377K53.9Low56.2Low179 Ų179141.5 Ų141.578%0.77866%0.662SS**  trans-39.9121.6162.2176.2-174.9-179.1-1750107.2K375 H379K375-K377 PolarHBondContact O-N 2.84Å; K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 PolarHBondContact O-N 2.72Å; K377-H379 PolarHBondContact O-ND1 2.94Å
378F61.6Low57.7Low219 Ų219142.9 Ų142.996%0.96168%0.677SS**  trans-48.299174.5-72.8-80000109.2E376E376-F378 PolarHBondContact O-N 3.19Å
379H69.4Low59.1Low90 Ų90140.4 Ų140.442%0.41768%0.684SS.*  trans-110.1142.2178.972.8-85.7000106.5E376 K377E376-H379 IonicContact OE1-CE1 3.43Å; E376-H379 PolarHBondContact OE1-CE1 2.86Å; K377-H379 VanDerWaalsContact C-N 3.31Å; K377-H379 PolarHBondContact O-N 2.72Å; K377-H379 PolarHBondContact O-ND1 2.94Å
380I74.9Confident60.6Low145 Ų145138 Ų13874%0.74469%0.687SS**  trans-74.3129.6167.5-56.6173.7000104.8V382I380-V382 HydrophobicContact CB-CG2 3.86Å; I380-V382 HydrophobicContact CG2-CG2 3.65Å; I380-V382 PolarHBondContact O-N 2.96Å
381N77.6Confident62.1Low89 Ų89132.3 Ų132.348%0.47666%0.658SS.*  trans-64.183.3173.5-69.157.1000109.4Y386N381-Y386 HydrophobicContact CB-CD1 3.84Å; N381-Y386 HydrophobicContact CB-CD2 3.85Å; N381-Y386 HydrophobicContact CB-CE1 4.32Å; N381-Y386 HydrophobicContact CB-CE2 4.33Å; N381-Y386 HydrophobicContact CB-CG 3.59Å; N381-Y386 WeakPolarHBondContact ND2-CD1 3.42Å; N381-Y386 WeakPolarHBondContact ND2-CE1 3.38Å
382V75.1Confident63.6Low120 Ų120127.6 Ų127.673%0.72765%0.646SS**  trans-106.997.7-177.6179.10000108.4I380I380-V382 HydrophobicContact CB-CG2 3.86Å; I380-V382 HydrophobicContact CG2-CG2 3.65Å; I380-V382 PolarHBondContact O-N 2.96Å
383G72.2Confident65.4Low13 Ų13123.7 Ų123.713%0.13464%0.642CS.*SBendtrans-168.7168.3177.400000109.7E385 Q387G383-E385 VanDerWaalsContact C-N 3.35Å; G383-E385 VanDerWaalsContact C-OE2 3.27Å; G383-E385 VanDerWaalsContact CA-OE2 3.27Å; G383-E385 WeakPolarHBondContact CA-OE2 3.43Å; G383-Q387 WeakPolarHBondContact O-CG 3.48Å; G383-Q387 PolarHBondContact O-NE2 2.6Å
384T75.7Confident67.7Low117 Ų117117.2 Ų117.272%0.71862%0.621SS**SBendtrans-75.4-2917539.40000111.8Y386 Q387T384-Y386 PolarHBondContact O-N 3.15Å; T384-Q387 PolarHBondContact O-N 2.62Å; T384-Q387 VanDerWaalsContact O-N 3.14Å
385E78.2Confident70.1Confident132 Ų132111 Ų11162%0.61759%0.594SS**THydrogen-bonded Turntrans-63.7-23.417270.3-74.9-178.800113.6G383G383-E385 VanDerWaalsContact C-N 3.35Å; G383-E385 VanDerWaalsContact C-OE2 3.27Å; G383-E385 VanDerWaalsContact CA-OE2 3.27Å; G383-E385 WeakPolarHBondContact CA-OE2 3.43Å
386Y78.3Confident72.4Confident125 Ų125102.7 Ų102.749%0.4956%0.561SS.*THydrogen-bonded Turntrans-98.60.5174.8-58-65.8000113.5N381 T384N381-Y386 HydrophobicContact CB-CD1 3.84Å; N381-Y386 HydrophobicContact CB-CD2 3.85Å; N381-Y386 HydrophobicContact CB-CE1 4.32Å; N381-Y386 HydrophobicContact CB-CE2 4.33Å; N381-Y386 HydrophobicContact CB-CG 3.59Å; N381-Y386 WeakPolarHBondContact ND2-CD1 3.42Å; N381-Y386 WeakPolarHBondContact ND2-CE1 3.38Å; T384-Y386 PolarHBondContact O-N 3.15Å
387Q73.6Confident74.6Confident125 Ų125102.6 Ų102.658%0.58456%0.56SS**SBendtrans-98.3131.4175.2-73.61686000109.8G383 T384 T389G383-Q387 WeakPolarHBondContact O-CG 3.48Å; G383-Q387 PolarHBondContact O-NE2 2.6Å; T384-Q387 PolarHBondContact O-N 2.62Å; T384-Q387 VanDerWaalsContact O-N 3.14Å; Q387-T389 PolarHBondContact O-N 3.2Å
388A67.1Low76.3Confident88 Ų8894.6 Ų94.673%0.72753%0.527SS*.  trans-61.2131.6169.800000109.7V390A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 WeakPolarHBondContact O-CG2 3.36Å; A388-V390 PolarHBondContact O-N 3.19Å
389T68.3Low77.6Confident142 Ų14284.2 Ų84.287%0.87148%0.482SS*.  trans-67.288.3175.6-47.60000110Q387 P391Q387-T389 PolarHBondContact O-N 3.2Å; T389-P391 WeakPolarHBondContact O-CD 3.45Å
390V68.3Low78.6Confident120 Ų12082.1 Ų82.173%0.72747%0.473SS*.PPolyproline II helixtrans-67.4117.9-177.5-174.60000109.3A388 S392A388-V390 VanDerWaalsContact C-N 3.32Å; A388-V390 WeakPolarHBondContact O-CG2 3.36Å; A388-V390 PolarHBondContact O-N 3.19Å; V390-S392 PolarHBondContact O-N 3.1Å
391P68.6Low79.2Confident36 Ų3680.2 Ų80.223%0.23446%0.461CS..PPolyproline II helixtrans-59.1137.4174.523.4-32.1000109.5T389 A393 V396 V429T389-P391 WeakPolarHBondContact O-CD 3.45Å; P391-A393 PolarHBondContact O-N 3.35Å; P391-V396 HydrophobicContact CB-CG2 4.06Å; P391-V396 HydrophobicContact CG-CG2 3.76Å; P391-V396 WeakPolarHBondContact O-CG2 3.49Å; P391-V429 HydrophobicContact CB-CG2 4.18Å
392S73.6Confident79.7Confident69 Ų6976.7 Ų76.748%0.48344%0.442SS..PPolyproline II helixtrans-53.2134-16572.20000112.6V390 P394 L395 V396V390-S392 PolarHBondContact O-N 3.1Å; S392-P394 VanDerWaalsContact C-CD 3.43Å; S392-P394 VanDerWaalsContact C-N 3.35Å; S392-P394 VanDerWaalsContact O-N 3.14Å; S392-L395 WeakPolarHBondContact O-CA 3.46Å; S392-L395 VanDerWaalsContact O-CB 3.32Å; S392-L395 WeakPolarHBondContact O-CB 3.32Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-L395 WeakPolarHBondContact OG-CB 3.44Å; S392-V396 PolarHBondContact O-N 3.43Å
393A77.8Confident80.3Confident78 Ų7871.1 Ų71.165%0.64541%0.409SS*.Hα-helixtrans-45.6-46-17600000115.2P391 L395 V396 E397P391-A393 PolarHBondContact O-N 3.35Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.82Å; A393-V396 PolarHBondContact O-N 3.16Å; A393-E397 WeakPolarHBondContact O-CB 3.49Å; A393-E397 PolarHBondContact O-N 3.11Å
394P84.6Confident80.8Confident70 Ų7073.3 Ų73.346%0.45542%0.422SS..Hα-helixtrans-68.7-24.517827.9-36.5000114.2S392 A398S392-P394 VanDerWaalsContact C-CD 3.43Å; S392-P394 VanDerWaalsContact C-N 3.35Å; S392-P394 VanDerWaalsContact O-N 3.14Å; P394-A398 VanDerWaalsContact O-CB 3.26Å; P394-A398 WeakPolarHBondContact O-CB 3.34Å; P394-A398 PolarHBondContact O-N 3.05Å
395L88Confident81.1Confident28 Ų2869.3 Ų69.315%0.14740%0.399CS..Hα-helixtrans-73-42.1175.1179.966.2000110.8N212 M214 S392 A393 A398 F399 V429N212-L395 HydrophobicContact CB-CD1 4.11Å; M214-L395 HydrophobicContact CE-CD1 4.36Å; M214-L395 HydrophobicContact SD-CD1 3.44Å; M214-L395 WeakPolarHBondContact SD-CD1 3.44Å; S392-L395 WeakPolarHBondContact O-CA 3.46Å; S392-L395 VanDerWaalsContact O-CB 3.32Å; S392-L395 WeakPolarHBondContact O-CB 3.32Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-L395 WeakPolarHBondContact OG-CB 3.44Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.82Å; L395-A398 PolarHBondContact O-N 3.45Å; L395-F399 PolarHBondContact O-N 3.05Å; L395-V429 HydrophobicContact CD1-CG1 4.15Å; L395-V429 HydrophobicContact CD2-CB 4.1Å; L395-V429 HydrophobicContact CD2-CG2 3.95Å; L395-V429 HydrophobicContact CG-CB 4.1Å; L395-V429 HydrophobicContact CG-CG1 3.99Å; L395-V429 HydrophobicContact CG-CG2 4.01Å
396V89.5Confident81.2Confident26 Ų2669.1 Ų69.116%0.15841%0.409CS..Hα-helixtrans-67.2-42.2173.9-176.50000110.9P391 S392 A393 A398 F399 L400 L422P391-V396 HydrophobicContact CB-CG2 4.06Å; P391-V396 HydrophobicContact CG-CG2 3.76Å; P391-V396 WeakPolarHBondContact O-CG2 3.49Å; S392-V396 PolarHBondContact O-N 3.43Å; A393-V396 PolarHBondContact O-N 3.16Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.35Å; V396-F399 PolarHBondContact O-N 2.98Å; V396-L400 HydrophobicContact CG1-CD1 4.3Å; V396-L400 HydrophobicContact CG1-CG 4.44Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.34Å; V396-L422 HydrophobicContact CG1-CD2 4.13Å; V396-L422 HydrophobicContact CG2-CD2 4.42Å
397E90.3Very high81.1Confident144 Ų14465.4 Ų65.467%0.67340%0.404SS*.Hα-helixtrans-61.5-40.6175.5-171.5172.1-161.200111.8A393 L400 H401A393-E397 WeakPolarHBondContact O-CB 3.49Å; A393-E397 PolarHBondContact O-N 3.11Å; E397-L400 PolarHBondContact O-N 3.24Å; E397-H401 WeakPolarHBondContact O-CB 3.43Å; E397-H401 PolarHBondContact O-N 2.81Å
398A89.3Confident81.4Confident10 Ų1060 Ų608%0.08338%0.38CS..Hα-helixtrans-63.6-39.2173.800000112.9L208 P394 L395 V396 H401 L402L208-A398 HydrophobicContact CD2-CB 3.76Å; L208-A398 HydrophobicContact CG-CB 4.4Å; P394-A398 VanDerWaalsContact O-CB 3.26Å; P394-A398 WeakPolarHBondContact O-CB 3.34Å; P394-A398 PolarHBondContact O-N 3.05Å; L395-A398 PolarHBondContact O-N 3.45Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.35Å; A398-H401 CarbonylContact O-C 3.46Å; A398-H401 PolarHBondContact O-N 2.93Å; A398-L402 PolarHBondContact O-N 2.9Å
399F90.1Very high81.5Confident2 Ų259.3 Ų59.31%0.00937%0.367CS..Hα-helixtrans-70.3-38.8176.7167.3-106000112.8L395 V396 H401 L402 A403 A418 L422 V429 A432 A433 L436L395-F399 PolarHBondContact O-N 3.05Å; V396-F399 PolarHBondContact O-N 2.98Å; F399-H401 VanDerWaalsContact C-N 3.28Å; F399-H401 PolarHBondContact O-N 2.72Å; F399-L402 WeakPolarHBondContact O-CB 3.26Å; F399-L402 PolarHBondContact O-N 3.37Å; F399-L402 VanDerWaalsContact O-N 3.12Å; F399-A403 PolarHBondContact O-N 2.99Å; F399-A418 HydrophobicContact CD1-CB 4.5Å; F399-A418 HydrophobicContact CE1-CB 3.74Å; F399-A418 VanDerWaalsContact CE1-O 3.26Å; F399-A418 WeakPolarHBondContact CE1-O 3.36Å; F399-A418 HydrophobicContact CZ-CB 4Å; F399-L422 HydrophobicContact CE1-CB 4Å; F399-V429 HydrophobicContact CB-CG1 3.58Å; F399-V429 HydrophobicContact CD2-CG1 4.16Å; F399-V429 HydrophobicContact CG-CG1 3.88Å; F399-A432 HydrophobicContact CE1-CB 4.41Å; F399-A432 HydrophobicContact CE2-CB 3.76Å; F399-A432 HydrophobicContact CZ-CB 3.65Å; F399-A433 HydrophobicContact CD2-CB 4.15Å; F399-A433 HydrophobicContact CE2-CB 4.39Å; F399-L436 HydrophobicContact CD2-CD2 4.25Å; F399-L436 HydrophobicContact CE2-CB 4.49Å; F399-L436 HydrophobicContact CE2-CD2 3.58Å; F399-L436 HydrophobicContact CZ-CD2 4.15Å
400L89.6Confident81.3Confident45 Ų4553.3 Ų53.324%0.23633%0.334CS..Hα-helixtrans-64.1-34170.3-68.2177.1000112V396 E397 S404 T415 A418 L419V396-L400 HydrophobicContact CG1-CD1 4.3Å; V396-L400 HydrophobicContact CG1-CG 4.44Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.34Å; E397-L400 PolarHBondContact O-N 3.24Å; L400-S404 PolarHBondContact O-N 3.09Å; L400-S404 PolarHBondContact O-OG 2.96Å; L400-T415 HydrophobicContact CD2-CG2 4.32Å; L400-A418 HydrophobicContact CD2-CB 3.76Å; L400-L419 HydrophobicContact CD2-CD2 4.49Å; L400-L419 HydrophobicContact CD2-CG 4.31Å
401H88Confident80.8Confident105 Ų10549 Ų4949%0.48631%0.314SS..Hα-helixtrans-71.9-29.2171.8-160.8-42.4000112.4E397 A398 F399 S404 S405E397-H401 WeakPolarHBondContact O-CB 3.43Å; E397-H401 PolarHBondContact O-N 2.81Å; A398-H401 CarbonylContact O-C 3.46Å; A398-H401 PolarHBondContact O-N 2.93Å; F399-H401 VanDerWaalsContact C-N 3.28Å; F399-H401 PolarHBondContact O-N 2.72Å; H401-S404 WeakPolarHBondContact CA-OG 3.42Å; H401-S404 PolarHBondContact O-OG 3.19Å; H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 2.74Å
402L88Confident80.4Confident16 Ų1648.2 Ų48.28%0.08431%0.313CS..Hα-helixtrans-68.2-43.9171-179.263.9000111.1W220 A398 F399 S404 S405 A407 V408 A433 T437W220-L402 HydrophobicContact CH2-CD1 4.16Å; W220-L402 HydrophobicContact CZ2-CD1 4.41Å; A398-L402 PolarHBondContact O-N 2.9Å; F399-L402 WeakPolarHBondContact O-CB 3.26Å; F399-L402 PolarHBondContact O-N 3.37Å; F399-L402 VanDerWaalsContact O-N 3.12Å; L402-S404 PolarHBondContact O-N 3.2Å; L402-S405 WeakPolarHBondContact O-CB 3.38Å; L402-S405 PolarHBondContact O-N 3.38Å; L402-A407 HydrophobicContact CD1-CB 4.41Å; L402-V408 WeakPolarHBondContact O-CG2 3.46Å; L402-A433 HydrophobicContact CD2-CB 3.88Å; L402-T437 HydrophobicContact CD2-CG2 4.47Å
403A87.1Confident80Confident3 Ų349.8 Ų49.83%0.02531%0.314CS..Hα-helixtrans-64.5-23.8176.800000114.5F399 A418 L436F399-A403 PolarHBondContact O-N 2.99Å; A403-A418 HydrophobicContact CB-CB 3.59Å; A403-L436 HydrophobicContact CB-CD1 4.47Å; A403-L436 HydrophobicContact CB-CD2 3.74Å
404S82.6Confident79.9Confident59 Ų5946.5 Ų46.541%0.41329%0.286SS..THydrogen-bonded Turntrans-10012.4173.749.40000113.3L400 H401 L402L400-S404 PolarHBondContact O-N 3.09Å; L400-S404 PolarHBondContact O-OG 2.96Å; H401-S404 WeakPolarHBondContact CA-OG 3.42Å; H401-S404 PolarHBondContact O-OG 3.19Å; L402-S404 PolarHBondContact O-N 3.2Å
405S83Confident79.9Confident33 Ų3346.4 Ų46.423%0.23128%0.284CS..SBendtrans-93.1148175.7-172.80000111.6H401 L402 A407 V408H401-S405 WeakPolarHBondContact O-CB 3.47Å; H401-S405 PolarHBondContact O-N 2.74Å; L402-S405 WeakPolarHBondContact O-CB 3.38Å; L402-S405 PolarHBondContact O-N 3.38Å; S405-A407 PolarHBondContact O-N 3.42Å; S405-A407 PolarHBondContact OG-N 3.43Å; S405-V408 PolarHBondContact O-N 2.86Å
406P78.6Confident79.9Confident128 Ų12849.1 Ų49.183%0.83130%0.296SS*.THydrogen-bonded Turntrans-60.3-2.2168.4-23.234.5000115.5V408P406-V408 VanDerWaalsContact C-N 3.25Å; P406-V408 PolarHBondContact O-N 3.33Å
407A77.8Confident79.8Confident47 Ų4748.2 Ų48.239%0.38829%0.29SS..THydrogen-bonded Turntrans-75.8-8.4174.900000114W220 L402 S405W220-A407 HydrophobicContact CH2-CB 4.48Å; W220-A407 HydrophobicContact CZ2-CB 4.4Å; L402-A407 HydrophobicContact CD1-CB 4.41Å; S405-A407 PolarHBondContact O-N 3.42Å; S405-A407 PolarHBondContact OG-N 3.43Å
408V79.3Confident79.7Confident12 Ų1241.3 Ų41.37%0.07326%0.258CS..SBendtrans-109.2130.9-179170.30000109.9L402 S405 P406 G410 G411 L436 T437L402-V408 WeakPolarHBondContact O-CG2 3.46Å; S405-V408 PolarHBondContact O-N 2.86Å; P406-V408 VanDerWaalsContact C-N 3.25Å; P406-V408 PolarHBondContact O-N 3.33Å; V408-G410 PolarHBondContact O-N 3.49Å; V408-G411 WeakPolarHBondContact O-CA 3.46Å; V408-G411 PolarHBondContact O-N 2.88Å; V408-L436 HydrophobicContact CG1-CD1 3.85Å; V408-L436 HydrophobicContact CG1-CG 4.13Å; V408-L436 HydrophobicContact CG2-CD1 4.41Å; V408-L436 HydrophobicContact CG2-CD2 4.18Å; V408-L436 HydrophobicContact CG2-CG 3.85Å; V408-T437 HydrophobicContact CG2-CG2 4.11Å
409P69.6Low79.8Confident72 Ų7244.9 Ų44.947%0.46828%0.275SS..THydrogen-bonded Turntrans-60.5127.4171.5-21.233.2000110.8G411P409-G411 PolarHBondContact O-N 2.89Å
410G64.6Low79.8Confident17 Ų1747.6 Ų47.618%0.17529%0.288CS..THydrogen-bonded Turntrans71.118.6-170.700000114.1V408 G412 C457V408-G410 PolarHBondContact O-N 3.49Å; G410-G412 VanDerWaalsContact C-N 3.3Å; G410-G412 PolarHBondContact O-N 3.37Å; G410-C457 WeakPolarHBondContact CA-O 3.39Å
411G57.4Low79.8Confident30 Ų3045.5 Ų45.531%0.30928%0.277SS..  trans-63.677.5-178.600000114.3V408 P409V408-G411 WeakPolarHBondContact O-CA 3.46Å; V408-G411 PolarHBondContact O-N 2.88Å; P409-G411 PolarHBondContact O-N 2.89Å
412G60.4Low79.9Confident19 Ų1941.3 Ų41.320%0.19626%0.258CS..SBendtrans-134104.9175.500000111.1G410 N414G410-G412 VanDerWaalsContact C-N 3.3Å; G410-G412 PolarHBondContact O-N 3.37Å; G412-N414 WeakPolarHBondContact O-CB 2.9Å; G412-N414 PolarHBondContact O-N 3Å; G412-N414 PolarHBondContact O-ND2 2.96Å
413I64.5Low80Confident101 Ų10149.8 Ų49.852%0.51829%0.29SS..SBendtrans56.39164.8-39.9-175.3000115.5T415 V510I413-T415 VanDerWaalsContact C-N 3.31Å; I413-T415 PolarHBondContact O-N 3.18Å; I413-V510 HydrophobicContact CD1-CG2 3.82Å
414N74.7Confident80.1Confident9 Ų952.3 Ų52.35%0.04830%0.303CS..  trans-82.462.7-162.5-103.7-60.2000115.6G412 E416 L417 A418 Y454 N455 C457G412-N414 WeakPolarHBondContact O-CB 2.9Å; G412-N414 PolarHBondContact O-N 3Å; G412-N414 PolarHBondContact O-ND2 2.96Å; N414-E416 PolarHBondContact O-N 3.32Å; N414-L417 HydrophobicContact CB-CB 4.04Å; N414-L417 HydrophobicContact CB-CD2 4.48Å; N414-L417 PolarHBondContact O-N 2.94Å; N414-A418 PolarHBondContact O-N 3.29Å; N414-Y454 WeakPolarHBondContact OD1-CB 3.44Å; N414-N455 PolarHBondContact ND2-O 2.73Å; N414-N455 PolarHBondContact OD1-O 3.02Å; N414-C457 WeakPolarHBondContact ND2-CA 3.48Å; N414-C457 WeakPolarHBondContact ND2-CB 3.39Å; N414-C457 PolarHBondContact ND2-N 2.88Å
415T85.7Confident80.5Confident68 Ų6849.8 Ų49.842%0.41729%0.285SS..Hα-helixtrans-63-31.2173.3540000112.5L400 I413 A418 L419L400-T415 HydrophobicContact CD2-CG2 4.32Å; I413-T415 VanDerWaalsContact C-N 3.31Å; I413-T415 PolarHBondContact O-N 3.18Å; T415-A418 PolarHBondContact O-N 2.77Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CD1 3.4Å; T415-L419 WeakPolarHBondContact O-CG 3.5Å; T415-L419 PolarHBondContact O-N 2.78Å
416E87.7Confident80.8Confident85 Ų8559.7 Ų59.740%0.39732%0.318SS..Hα-helixtrans-67.2-47.2178.5-64.6178.9155.400111.2N414 A418 L419 H420 Y454N414-E416 PolarHBondContact O-N 3.32Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.49Å; E416-L419 PolarHBondContact O-N 3.27Å; E416-H420 VanDerWaalsContact O-CG 3.29Å; E416-H420 PolarHBondContact O-N 3.08Å; E416-Y454 HydrophobicContact CB-CD1 4.32Å; E416-Y454 HydrophobicContact CB-CE1 4.47Å
417L87.3Confident81.2Confident7 Ų754.8 Ų54.84%0.03729%0.291CS..Hα-helixtrans-58.3-45.1173.4177.162.2000112N414 L419 H420 L421 L436 L442 F443 Y454N414-L417 HydrophobicContact CB-CB 4.04Å; N414-L417 HydrophobicContact CB-CD2 4.48Å; N414-L417 PolarHBondContact O-N 2.94Å; L417-L419 PolarHBondContact O-N 3.48Å; L417-H420 PolarHBondContact O-N 3.4Å; L417-L421 HydrophobicContact CD1-CD1 4.11Å; L417-L421 HydrophobicContact CD1-CG 4.28Å; L417-L421 HydrophobicContact CG-CD1 4.09Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 3.26Å; L417-L436 HydrophobicContact CD2-CD1 4.39Å; L417-L442 HydrophobicContact CD1-CD1 3.85Å; L417-L442 HydrophobicContact CD2-CD1 3.75Å; L417-L442 HydrophobicContact CG-CD1 4.28Å; L417-F443 HydrophobicContact CD1-CE2 3.85Å; L417-F443 HydrophobicContact CD1-CZ 4.25Å; L417-Y454 HydrophobicContact CB-CD1 3.67Å; L417-Y454 HydrophobicContact CB-CE1 3.76Å; L417-Y454 HydrophobicContact CB-CG 4.08Å; L417-Y454 HydrophobicContact CD1-CD1 4.41Å; L417-Y454 HydrophobicContact CD1-CD2 3.97Å; L417-Y454 HydrophobicContact CD1-CE1 4.05Å; L417-Y454 HydrophobicContact CD1-CE2 3.59Å; L417-Y454 HydrophobicContact CD1-CG 4.38Å
418A89.4Confident81.7Confident0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-60.6-45.4177.800000111.6F399 L400 A403 N414 T415 E416 L421 L422F399-A418 HydrophobicContact CD1-CB 4.5Å; F399-A418 HydrophobicContact CE1-CB 3.74Å; F399-A418 VanDerWaalsContact CE1-O 3.26Å; F399-A418 WeakPolarHBondContact CE1-O 3.36Å; F399-A418 HydrophobicContact CZ-CB 4Å; L400-A418 HydrophobicContact CD2-CB 3.76Å; A403-A418 HydrophobicContact CB-CB 3.59Å; N414-A418 PolarHBondContact O-N 3.29Å; T415-A418 PolarHBondContact O-N 2.77Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A418 PolarHBondContact O-N 3.49Å; A418-L421 PolarHBondContact O-N 3.38Å; A418-L422 WeakPolarHBondContact O-CB 3.18Å; A418-L422 PolarHBondContact O-N 3.31Å
419L90.1Very high82.2Confident85 Ų8555.7 Ų55.745%0.44529%0.288SS..Hα-helixtrans-65.9-38.5177.7-71.1167.9000112.4L400 T415 E416 L417 L422 Y423L400-L419 HydrophobicContact CD2-CD2 4.49Å; L400-L419 HydrophobicContact CD2-CG 4.31Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CD1 3.4Å; T415-L419 WeakPolarHBondContact O-CG 3.5Å; T415-L419 PolarHBondContact O-N 2.78Å; E416-L419 PolarHBondContact O-N 3.27Å; L417-L419 PolarHBondContact O-N 3.48Å; L419-L422 PolarHBondContact O-N 3.12Å; L419-Y423 WeakPolarHBondContact O-CB 3.41Å; L419-Y423 PolarHBondContact O-N 3.47Å
420H89.6Confident83.2Confident59 Ų5955 Ų5527%0.27328%0.279SS..Hα-helixtrans-66.9-42.2174.6-66.2167000112.3E416 L417 L422 Y423 D424 F443 L449 Y454E416-H420 VanDerWaalsContact O-CG 3.29Å; E416-H420 PolarHBondContact O-N 3.08Å; L417-H420 PolarHBondContact O-N 3.4Å; H420-L422 VanDerWaalsContact C-N 3.33Å; H420-L422 PolarHBondContact O-N 3.24Å; H420-Y423 PolarHBondContact O-N 3.01Å; H420-D424 WeakPolarHBondContact O-CB 3.3Å; H420-D424 PolarHBondContact O-N 2.99Å; H420-F443 HydrophobicContact CB-CZ 4.16Å; H420-L449 HydrophobicContact CB-CD1 3.97Å; H420-L449 WeakPolarHBondContact ND1-CD1 3.38Å; H420-Y454 AromaticContact ND1-CE1 3.35Å; H420-Y454 VanDerWaalsContact ND1-CE1 3.35Å; H420-Y454 WeakPolarHBondContact ND1-CE1 3.22Å; H420-Y454 AromaticContact ND1-CZ 3.55Å; H420-Y454 PolarHBondContact ND1-OH 3.47Å
421L89.4Confident84.4Confident0 Ų059.7 Ų59.70%030%0.295CS..Hα-helixtrans-64.3-36.6173.5-76.4171.1000112.4L417 A418 C425 R435 L436 L442 F443L417-L421 HydrophobicContact CD1-CD1 4.11Å; L417-L421 HydrophobicContact CD1-CG 4.28Å; L417-L421 HydrophobicContact CG-CD1 4.09Å; L417-L421 WeakPolarHBondContact O-CB 3.5Å; L417-L421 WeakPolarHBondContact O-CG 3.1Å; L417-L421 PolarHBondContact O-N 3.26Å; A418-L421 PolarHBondContact O-N 3.38Å; L421-C425 VanDerWaalsContact O-CB 3.26Å; L421-C425 WeakPolarHBondContact O-CB 3.22Å; L421-C425 PolarHBondContact O-N 3.37Å; L421-C425 PolarHBondContact O-SG 3.28Å; L421-R435 HydrophobicContact CD2-CB 4.43Å; L421-L436 HydrophobicContact CD1-CB 4.03Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; L421-L442 HydrophobicContact CD1-CD2 4.38Å; L421-L442 HydrophobicContact CD2-CB 4.43Å; L421-F443 HydrophobicContact CD2-CE1 4.02Å; L421-F443 HydrophobicContact CD2-CZ 3.97Å; L421-F443 HydrophobicContact CG-CZ 4.15Å
422L90.5Very high86Confident17 Ų1758.2 Ų58.29%0.08928%0.28CS..Hα-helixtrans-67.8-39.2175.5-176.261.3000112V396 F399 A418 L419 H420 C425 R426 G427 V429 A432V396-L422 HydrophobicContact CG1-CD2 4.13Å; V396-L422 HydrophobicContact CG2-CD2 4.42Å; F399-L422 HydrophobicContact CE1-CB 4Å; A418-L422 WeakPolarHBondContact O-CB 3.18Å; A418-L422 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 3.12Å; H420-L422 VanDerWaalsContact C-N 3.33Å; H420-L422 PolarHBondContact O-N 3.24Å; L422-C425 CarbonylContact O-C 3.56Å; L422-C425 PolarHBondContact O-N 3.5Å; L422-R426 PolarHBondContact O-N 2.57Å; L422-G427 PolarHBondContact O-N 3.05Å; L422-V429 HydrophobicContact CD1-CB 4.48Å; L422-V429 HydrophobicContact CD1-CG2 3.71Å; L422-A432 HydrophobicContact CD1-CB 4.36Å
423Y90.8Very high87.4Confident195 Ų19557.7 Ų57.777%0.76527%0.273SS*.Hα-helixtrans-64.2-48.6174174.8-99.9000111.9L419 H420 C425 R426L419-Y423 WeakPolarHBondContact O-CB 3.41Å; L419-Y423 PolarHBondContact O-N 3.47Å; H420-Y423 PolarHBondContact O-N 3.01Å; Y423-C425 VanDerWaalsContact C-N 3.28Å; Y423-C425 PolarHBondContact O-N 2.98Å; Y423-R426 WeakPolarHBondContact O-CA 3.34Å; Y423-R426 PolarHBondContact O-N 3.15Å
424D90Very high88.6Confident55 Ų5557.9 Ų57.929%0.29428%0.275SS..Hα-helixtrans-65-32177.8-174.331.9000112H420 R426 R435H420-D424 WeakPolarHBondContact O-CB 3.3Å; H420-D424 PolarHBondContact O-N 2.99Å; D424-R426 PolarHBondContact O-N 3.35Å; D424-R435 IonicContact OD2-CZ 3.59Å; D424-R435 IonicContact OD2-NH1 2.6Å; D424-R435 PolarHBondContact OD2-NH1 3.08Å; D424-R435 IonicContact OD2-NH2 2.71Å; D424-R435 PolarHBondContact OD2-NH2 3.41Å
425C90.1Very high89.2Confident6 Ų660.7 Ų60.74%0.04129%0.285CS..THydrogen-bonded Turntrans-80.211.3169-60.90000114.1L421 L422 Y423 G427 D428 K431 A432L421-C425 VanDerWaalsContact O-CB 3.26Å; L421-C425 WeakPolarHBondContact O-CB 3.22Å; L421-C425 PolarHBondContact O-N 3.37Å; L421-C425 PolarHBondContact O-SG 3.28Å; L422-C425 CarbonylContact O-C 3.56Å; L422-C425 PolarHBondContact O-N 3.5Å; Y423-C425 VanDerWaalsContact C-N 3.28Å; Y423-C425 PolarHBondContact O-N 2.98Å; C425-G427 PolarHBondContact O-N 3.05Å; C425-G427 VanDerWaalsContact O-N 3.16Å; C425-D428 HydrophobicContact CB-CB 4.4Å; C425-D428 WeakPolarHBondContact CB-O 3.01Å; C425-D428 VanDerWaalsContact O-CB 3.3Å; C425-D428 WeakPolarHBondContact O-CB 3.44Å; C425-D428 PolarHBondContact O-N 3.08Å; C425-K431 HydrophobicContact CB-CB 4.22Å; C425-K431 HydrophobicContact CB-CD 4.33Å; C425-K431 HydrophobicContact CB-CG 4.32Å; C425-A432 HydrophobicContact CB-CB 4.11Å
426R89.1Confident89.3Confident242 Ų24257.7 Ų57.791%0.91327%0.267SS*.THydrogen-bonded Turntrans53.630.7178.9-56.5-173.6179.3-168.90.2114.7L422 Y423 D424L422-R426 PolarHBondContact O-N 2.57Å; Y423-R426 WeakPolarHBondContact O-CA 3.34Å; Y423-R426 PolarHBondContact O-N 3.15Å; D424-R426 PolarHBondContact O-N 3.35Å
427G86.3Confident89.2Confident25 Ų2556.1 Ų56.126%0.25826%0.263SS..THydrogen-bonded Turntrans90.7-3.8-176.800000115.3L422 C425 V429L422-G427 PolarHBondContact O-N 3.05Å; C425-G427 PolarHBondContact O-N 3.05Å; C425-G427 VanDerWaalsContact O-N 3.16Å; G427-V429 PolarHBondContact O-N 3.26Å; G427-V429 VanDerWaalsContact O-N 3.08Å
428D88.8Confident88.9Confident73 Ų7357.9 Ų57.939%0.3928%0.279SS..  trans-71.3102172.7-178.7-8.4000110.8C425 Q430 K431 A432C425-D428 HydrophobicContact CB-CB 4.4Å; C425-D428 WeakPolarHBondContact CB-O 3.01Å; C425-D428 VanDerWaalsContact O-CB 3.3Å; C425-D428 WeakPolarHBondContact O-CB 3.44Å; C425-D428 PolarHBondContact O-N 3.08Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact O-N 3.22Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.37Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.27Å; D428-Q430 PolarHBondContact OD1-N 2.96Å; D428-K431 HydrophobicContact CB-CB 4.02Å; D428-K431 VanDerWaalsContact CG-CB 3.47Å; D428-K431 PolarHBondContact OD1-N 3.28Å; D428-K431 VanDerWaalsContact OD2-CB 3.22Å; D428-K431 WeakPolarHBondContact OD2-CB 3.43Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.42Å; D428-A432 PolarHBondContact O-N 3.04Å
429V90.4Very high87.9Confident4 Ų463.9 Ų63.92%0.02432%0.321CS..Hα-helixtrans-68.4-26.3179.3-176.40000112.4M214 P391 L395 F399 L422 G427 A433M214-V429 HydrophobicContact CE-CG1 4.11Å; P391-V429 HydrophobicContact CB-CG2 4.18Å; L395-V429 HydrophobicContact CD1-CG1 4.15Å; L395-V429 HydrophobicContact CD2-CB 4.1Å; L395-V429 HydrophobicContact CD2-CG2 3.95Å; L395-V429 HydrophobicContact CG-CB 4.1Å; L395-V429 HydrophobicContact CG-CG1 3.99Å; L395-V429 HydrophobicContact CG-CG2 4.01Å; F399-V429 HydrophobicContact CB-CG1 3.58Å; F399-V429 HydrophobicContact CD2-CG1 4.16Å; F399-V429 HydrophobicContact CG-CG1 3.88Å; L422-V429 HydrophobicContact CD1-CB 4.48Å; L422-V429 HydrophobicContact CD1-CG2 3.71Å; G427-V429 PolarHBondContact O-N 3.26Å; G427-V429 VanDerWaalsContact O-N 3.08Å; V429-A433 WeakPolarHBondContact O-CB 3.23Å; V429-A433 PolarHBondContact O-N 3.4Å
430Q89.7Confident87Confident58 Ų5862.6 Ų62.627%0.27132%0.322SS..Hα-helixtrans-73.3-49.4177.8-52.5-46.6-48.400110.4M214 D428 A432 A433 N434M214-Q430 VanDerWaalsContact CB-OE1 3.27Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact O-N 3.22Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.37Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.27Å; D428-Q430 PolarHBondContact OD1-N 2.96Å; Q430-A432 VanDerWaalsContact C-N 3.29Å; Q430-A432 PolarHBondContact O-N 2.87Å; Q430-A433 PolarHBondContact O-N 2.88Å; Q430-N434 WeakPolarHBondContact O-CB 3.25Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.76Å; Q430-N434 PolarHBondContact O-ND2 3.31Å
431K90.5Very high86.3Confident115 Ų11565.3 Ų65.350%0.535%0.345SS..Hα-helixtrans-61.5-38.9175.8-170.9178.3-176.31780111.6C425 D428 R435C425-K431 HydrophobicContact CB-CB 4.22Å; C425-K431 HydrophobicContact CB-CD 4.33Å; C425-K431 HydrophobicContact CB-CG 4.32Å; D428-K431 HydrophobicContact CB-CB 4.02Å; D428-K431 VanDerWaalsContact CG-CB 3.47Å; D428-K431 PolarHBondContact OD1-N 3.28Å; D428-K431 VanDerWaalsContact OD2-CB 3.22Å; D428-K431 WeakPolarHBondContact OD2-CB 3.43Å; K431-R435 WeakPolarHBondContact O-CG 3.21Å; K431-R435 PolarHBondContact O-N 3.06Å
432A91.2Very high85.8Confident0 Ų067.6 Ų67.60%036%0.357CS..Hα-helixtrans-65.2-45.6173.800000112.4F399 L422 C425 D428 Q430 R435 L436F399-A432 HydrophobicContact CE1-CB 4.41Å; F399-A432 HydrophobicContact CE2-CB 3.76Å; F399-A432 HydrophobicContact CZ-CB 3.65Å; L422-A432 HydrophobicContact CD1-CB 4.36Å; C425-A432 HydrophobicContact CB-CB 4.11Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.42Å; D428-A432 PolarHBondContact O-N 3.04Å; Q430-A432 VanDerWaalsContact C-N 3.29Å; Q430-A432 PolarHBondContact O-N 2.87Å; A432-R435 PolarHBondContact O-N 3.32Å; A432-L436 WeakPolarHBondContact O-CB 3.45Å; A432-L436 PolarHBondContact O-N 2.78Å
433A89.6Confident85.4Confident7 Ų767.5 Ų67.56%0.05836%0.356CS..Hα-helixtrans-63.9-40177.700000112.8M214 F399 L402 V429 Q430 L436 T437M214-A433 HydrophobicContact CE-CB 4.25Å; F399-A433 HydrophobicContact CD2-CB 4.15Å; F399-A433 HydrophobicContact CE2-CB 4.39Å; L402-A433 HydrophobicContact CD2-CB 3.88Å; V429-A433 WeakPolarHBondContact O-CB 3.23Å; V429-A433 PolarHBondContact O-N 3.4Å; Q430-A433 PolarHBondContact O-N 2.88Å; A433-L436 PolarHBondContact O-N 2.91Å; A433-T437 PolarHBondContact O-N 3.48Å; A433-T437 VanDerWaalsContact O-N 3.08Å; A433-T437 PolarHBondContact O-OG1 3.04Å
434N88.8Confident85Confident105 Ų10562.7 Ų62.756%0.56134%0.343SS*.Hα-helixtrans-66.3-43.6176.8-71-19.7000111.7Q430 T437 A438Q430-N434 WeakPolarHBondContact O-CB 3.25Å; Q430-N434 VanDerWaalsContact O-CG 3.26Å; Q430-N434 PolarHBondContact O-N 2.76Å; Q430-N434 PolarHBondContact O-ND2 3.31Å; N434-T437 PolarHBondContact O-N 3.28Å; N434-T437 PolarHBondContact O-OG1 3.35Å; N434-A438 WeakPolarHBondContact O-CB 3.5Å; N434-A438 PolarHBondContact O-N 3.31Å
435R88.7Confident84.7Confident68 Ų6867.2 Ų67.226%0.25736%0.362SS..Hα-helixtrans-64.7-43174.6-76.3175.166.3-174.53112.4L421 D424 K431 A432 T437 A438 L442L421-R435 HydrophobicContact CD2-CB 4.43Å; D424-R435 IonicContact OD2-CZ 3.59Å; D424-R435 IonicContact OD2-NH1 2.6Å; D424-R435 PolarHBondContact OD2-NH1 3.08Å; D424-R435 IonicContact OD2-NH2 2.71Å; D424-R435 PolarHBondContact OD2-NH2 3.41Å; K431-R435 WeakPolarHBondContact O-CG 3.21Å; K431-R435 PolarHBondContact O-N 3.06Å; A432-R435 PolarHBondContact O-N 3.32Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3Å; R435-A438 PolarHBondContact O-N 3.01Å; R435-L442 PolarHBondContact NH2-O 3.47Å; R435-L442 WeakPolarHBondContact O-CD2 3.5Å
436L87.3Confident84.4Confident5 Ų575.4 Ų75.43%0.02640%0.4CS..Hα-helixtrans-62.7-27.9178.5179.167.2000113.5F399 A403 V408 L417 L421 A432 A433F399-L436 HydrophobicContact CD2-CD2 4.25Å; F399-L436 HydrophobicContact CE2-CB 4.49Å; F399-L436 HydrophobicContact CE2-CD2 3.58Å; F399-L436 HydrophobicContact CZ-CD2 4.15Å; A403-L436 HydrophobicContact CB-CD1 4.47Å; A403-L436 HydrophobicContact CB-CD2 3.74Å; V408-L436 HydrophobicContact CG1-CD1 3.85Å; V408-L436 HydrophobicContact CG1-CG 4.13Å; V408-L436 HydrophobicContact CG2-CD1 4.41Å; V408-L436 HydrophobicContact CG2-CD2 4.18Å; V408-L436 HydrophobicContact CG2-CG 3.85Å; L417-L436 HydrophobicContact CD2-CD1 4.39Å; L421-L436 HydrophobicContact CD1-CB 4.03Å; L421-L436 HydrophobicContact CD1-CD1 3.9Å; A432-L436 WeakPolarHBondContact O-CB 3.45Å; A432-L436 PolarHBondContact O-N 2.78Å; A433-L436 PolarHBondContact O-N 2.91Å
437T85.1Confident84.2Confident53 Ų5366.2 Ų66.233%0.32537%0.367SS..Hα-helixtrans-100.5-6.5179.451.30000113.9L402 V408 A433 N434 R435L402-T437 HydrophobicContact CD2-CG2 4.47Å; V408-T437 HydrophobicContact CG2-CG2 4.11Å; A433-T437 PolarHBondContact O-N 3.48Å; A433-T437 VanDerWaalsContact O-N 3.08Å; A433-T437 PolarHBondContact O-OG1 3.04Å; N434-T437 PolarHBondContact O-N 3.28Å; N434-T437 PolarHBondContact O-OG1 3.35Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3Å
438A82.5Confident84.3Confident44 Ų4470.9 Ų70.936%0.36439%0.393SS..SBendtrans-78.4142.9174.900000111.8N434 R435 A440N434-A438 WeakPolarHBondContact O-CB 3.5Å; N434-A438 PolarHBondContact O-N 3.31Å; R435-A438 PolarHBondContact O-N 3.01Å; A438-A440 HydrophobicContact CB-CB 4.35Å; A438-A440 PolarHBondContact O-N 3.28Å
439S68.5Low84.1Confident126 Ų12669.6 Ų69.688%0.88139%0.386SS*.SBendtrans-75.426.1174.9-47.30000113.9
440A70.6Confident83.7Confident57 Ų5772.9 Ų72.947%0.47140%0.401SS..SBendtrans-100.6158.7-174.200000111.3A438 L442A438-A440 HydrophobicContact CB-CB 4.35Å; A438-A440 PolarHBondContact O-N 3.28Å; A440-L442 PolarHBondContact O-N 2.8Å
441P74.2Confident83.4Confident116 Ų11677 Ų7775%0.75343%0.425SS*.  trans-56.3125.2166.624.9-33.9000109.7F443P441-F443 VanDerWaalsContact C-N 3.25Å; P441-F443 PolarHBondContact O-N 2.56Å
442L78.4Confident83Confident48 Ų4876 Ų7625%0.25142%0.419SS..SBendtrans-71-22.9-170.8-66.5177000113L417 L421 R435 A440L417-L442 HydrophobicContact CD1-CD1 3.85Å; L417-L442 HydrophobicContact CD2-CD1 3.75Å; L417-L442 HydrophobicContact CG-CD1 4.28Å; L421-L442 HydrophobicContact CD1-CD2 4.38Å; L421-L442 HydrophobicContact CD2-CB 4.43Å; R435-L442 PolarHBondContact NH2-O 3.47Å; R435-L442 WeakPolarHBondContact O-CD2 3.5Å; A440-L442 PolarHBondContact O-N 2.8Å
443F83.1Confident82.4Confident15 Ų1581.8 Ų81.87%0.06645%0.454CS..SBendtrans-136.6145.3175.4-57.2-72.8000109.3L417 H420 L421 P441 H447 Y454L417-F443 HydrophobicContact CD1-CE2 3.85Å; L417-F443 HydrophobicContact CD1-CZ 4.25Å; H420-F443 HydrophobicContact CB-CZ 4.16Å; L421-F443 HydrophobicContact CD2-CE1 4.02Å; L421-F443 HydrophobicContact CD2-CZ 3.97Å; L421-F443 HydrophobicContact CG-CZ 4.15Å; P441-F443 VanDerWaalsContact C-N 3.25Å; P441-F443 PolarHBondContact O-N 2.56Å; F443-H447 HydrophobicContact CB-CB 3.96Å; F443-H447 AromaticContact CD1-CE1 3.26Å; F443-H447 WeakPolarHBondContact CD1-CE1 3.49Å; F443-H447 AromaticContact CD1-CG 3.85Å; F443-H447 AromaticContact CD1-ND1 3.15Å; F443-H447 WeakPolarHBondContact CD1-ND1 3.01Å; F443-H447 AromaticContact CE1-CE1 3.52Å; F443-H447 AromaticContact CE1-ND1 3.86Å; F443-H447 AromaticContact CG-ND1 3.47Å; F443-H447 WeakPolarHBondContact CG-ND1 3.4Å; F443-Y454 AromaticContact CE2-CE2 3.93Å; F443-Y454 HydrophobicContact CE2-CE2 3.93Å; F443-Y454 AromaticContact CE2-CZ 3.99Å; F443-Y454 VanDerWaalsContact CE2-OH 3.31Å; F443-Y454 WeakPolarHBondContact CE2-OH 3.27Å
444D82.4Confident81.9Confident94 Ų9482.4 Ų82.450%0.50346%0.455SS..  trans-75.8159.9173.5176.248.7000111.7Q446 H447 H450D444-Q446 PolarHBondContact O-N 3.47Å; D444-Q446 VanDerWaalsContact O-N 3.11Å; D444-Q446 WeakPolarHBondContact OD2-CG 3.49Å; D444-Q446 PolarHBondContact OD2-N 3.38Å; D444-H447 VanDerWaalsContact O-CB 3.23Å; D444-H447 WeakPolarHBondContact O-CB 3.41Å; D444-H447 PolarHBondContact O-N 3.16Å; D444-H450 WeakPolarHBondContact O-CB 3.32Å
445H82.7Confident81.2Confident150 Ų15082.4 Ų82.469%0.69446%0.455SS*.THydrogen-bonded Turntrans-56.5-25.4179.8-60.4-42.3000114H447 H450H445-H447 VanDerWaalsContact C-N 3.33Å; H445-H450 AromaticContact CE1-NE2 3.55Å; H445-H450 AromaticContact ND1-CD2 3.55Å; H445-H450 AromaticContact ND1-CE1 3.44Å; H445-H450 PolarHBondContact ND1-CE1 3.24Å; H445-H450 AromaticContact ND1-NE2 2.9Å; H445-H450 PolarHBondContact ND1-NE2 3.22Å
446Q85.4Confident80.3Confident179 Ų17982.1 Ų82.184%0.83646%0.459SS*.THydrogen-bonded Turntrans-80.8-11.3176.7-56.4-174.927.500113.6D444D444-Q446 PolarHBondContact O-N 3.47Å; D444-Q446 VanDerWaalsContact O-N 3.11Å; D444-Q446 WeakPolarHBondContact OD2-CG 3.49Å; D444-Q446 PolarHBondContact OD2-N 3.38Å
447H85Confident79.4Confident48 Ų4883.5 Ų83.522%0.22247%0.468CS..SBendtrans-79.3136.2-172.1-173.2-105.9000112.1F443 D444 H445 L449 H450F443-H447 HydrophobicContact CB-CB 3.96Å; F443-H447 AromaticContact CD1-CE1 3.26Å; F443-H447 WeakPolarHBondContact CD1-CE1 3.49Å; F443-H447 AromaticContact CD1-CG 3.85Å; F443-H447 AromaticContact CD1-ND1 3.15Å; F443-H447 WeakPolarHBondContact CD1-ND1 3.01Å; F443-H447 AromaticContact CE1-CE1 3.52Å; F443-H447 AromaticContact CE1-ND1 3.86Å; F443-H447 AromaticContact CG-ND1 3.47Å; F443-H447 WeakPolarHBondContact CG-ND1 3.4Å; D444-H447 VanDerWaalsContact O-CB 3.23Å; D444-H447 WeakPolarHBondContact O-CB 3.41Å; D444-H447 PolarHBondContact O-N 3.16Å; H445-H447 VanDerWaalsContact C-N 3.33Å; H447-L449 PolarHBondContact ND1-N 2.92Å; H447-L449 PolarHBondContact O-N 2.8Å; H447-H450 WeakPolarHBondContact O-CB 3.48Å; H447-H450 PolarHBondContact O-N 3.19Å
448P86.9Confident78.8Confident124 Ų12484.9 Ų84.981%0.80547%0.471SS*.THydrogen-bonded Turntrans-58.9-12.7-177.7-27.636000116.6
449L85.4Confident78.4Confident46 Ų4688.5 Ų88.524%0.24148%0.481CS..THydrogen-bonded Turntrans-113.914.3177.7-55.1176.6000113.5H420 H447 Y452H420-L449 HydrophobicContact CB-CD1 3.97Å; H420-L449 WeakPolarHBondContact ND1-CD1 3.38Å; H447-L449 PolarHBondContact ND1-N 2.92Å; H447-L449 PolarHBondContact O-N 2.8Å; L449-Y452 HydrophobicContact CD2-CD2 4.33Å; L449-Y452 HydrophobicContact CD2-CG 4.37Å; L449-Y452 WeakPolarHBondContact O-CB 3.25Å; L449-Y452 PolarHBondContact O-N 2.85Å
450H82.5Confident79Confident73 Ų7384.8 Ų84.834%0.33845%0.447SS..THydrogen-bonded Turntrans-56-50.6174.8176.5-91.1000111.7D444 H445 H447 Y452D444-H450 WeakPolarHBondContact O-CB 3.32Å; H445-H450 AromaticContact CE1-NE2 3.55Å; H445-H450 AromaticContact ND1-CD2 3.55Å; H445-H450 AromaticContact ND1-CE1 3.44Å; H445-H450 PolarHBondContact ND1-CE1 3.24Å; H445-H450 AromaticContact ND1-NE2 2.9Å; H445-H450 PolarHBondContact ND1-NE2 3.22Å; H447-H450 WeakPolarHBondContact O-CB 3.48Å; H447-H450 PolarHBondContact O-N 3.19Å; H450-Y452 PolarHBondContact O-N 2.97Å
451D81.9Confident79.5Confident144 Ų14484.2 Ų84.277%0.7744%0.44SS*.THydrogen-bonded Turntrans-81.49.4-179.7-58.9-10.9000113.2T453D451-T453 PolarHBondContact O-N 3.42Å
452Y83Confident79.8Confident94 Ų9481.1 Ų81.137%0.36942%0.421SS..  trans-84103.5-176-171.8-87000111.4L449 H450 Y454L449-Y452 HydrophobicContact CD2-CD2 4.33Å; L449-Y452 HydrophobicContact CD2-CG 4.37Å; L449-Y452 WeakPolarHBondContact O-CB 3.25Å; L449-Y452 PolarHBondContact O-N 2.85Å; H450-Y452 PolarHBondContact O-N 2.97Å; Y452-Y454 AromaticContact CD1-CD1 3.72Å; Y452-Y454 HydrophobicContact CD1-CD1 3.72Å; Y452-Y454 AromaticContact CD1-CD2 3.77Å; Y452-Y454 HydrophobicContact CD1-CD2 3.77Å; Y452-Y454 AromaticContact CD1-CE1 3.58Å; Y452-Y454 HydrophobicContact CD1-CE1 3.58Å; Y452-Y454 AromaticContact CD1-CE2 3.62Å; Y452-Y454 HydrophobicContact CD1-CE2 3.62Å; Y452-Y454 AromaticContact CD1-CG 3.8Å; Y452-Y454 HydrophobicContact CD1-CG 3.8Å; Y452-Y454 AromaticContact CD1-CZ 3.52Å; Y452-Y454 AromaticContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD2 4.37Å; Y452-Y454 AromaticContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE2 4.43Å; Y452-Y454 AromaticContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CG-CE2 4.49Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.45Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.43Å; Y452-Y454 PolarHBondContact O-N 3Å
453T78.9Confident80.2Confident122 Ų12283.4 Ų83.475%0.74843%0.429SS*.  trans-73.6105.6172.5-50.70000111.1D451D451-T453 PolarHBondContact O-N 3.42Å
454Y79Confident80.3Confident19 Ų1983.2 Ų83.28%0.07543%0.428CS..  trans-70.2137.6173.7-66.8-88.4000112.3N414 E416 L417 H420 F443 Y452 C457N414-Y454 WeakPolarHBondContact OD1-CB 3.44Å; E416-Y454 HydrophobicContact CB-CD1 4.32Å; E416-Y454 HydrophobicContact CB-CE1 4.47Å; L417-Y454 HydrophobicContact CB-CD1 3.67Å; L417-Y454 HydrophobicContact CB-CE1 3.76Å; L417-Y454 HydrophobicContact CB-CG 4.08Å; L417-Y454 HydrophobicContact CD1-CD1 4.41Å; L417-Y454 HydrophobicContact CD1-CD2 3.97Å; L417-Y454 HydrophobicContact CD1-CE1 4.05Å; L417-Y454 HydrophobicContact CD1-CE2 3.59Å; L417-Y454 HydrophobicContact CD1-CG 4.38Å; H420-Y454 AromaticContact ND1-CE1 3.35Å; H420-Y454 VanDerWaalsContact ND1-CE1 3.35Å; H420-Y454 WeakPolarHBondContact ND1-CE1 3.22Å; H420-Y454 AromaticContact ND1-CZ 3.55Å; H420-Y454 PolarHBondContact ND1-OH 3.47Å; F443-Y454 AromaticContact CE2-CE2 3.93Å; F443-Y454 HydrophobicContact CE2-CE2 3.93Å; F443-Y454 AromaticContact CE2-CZ 3.99Å; F443-Y454 VanDerWaalsContact CE2-OH 3.31Å; F443-Y454 WeakPolarHBondContact CE2-OH 3.27Å; Y452-Y454 AromaticContact CD1-CD1 3.72Å; Y452-Y454 HydrophobicContact CD1-CD1 3.72Å; Y452-Y454 AromaticContact CD1-CD2 3.77Å; Y452-Y454 HydrophobicContact CD1-CD2 3.77Å; Y452-Y454 AromaticContact CD1-CE1 3.58Å; Y452-Y454 HydrophobicContact CD1-CE1 3.58Å; Y452-Y454 AromaticContact CD1-CE2 3.62Å; Y452-Y454 HydrophobicContact CD1-CE2 3.62Å; Y452-Y454 AromaticContact CD1-CG 3.8Å; Y452-Y454 HydrophobicContact CD1-CG 3.8Å; Y452-Y454 AromaticContact CD1-CZ 3.52Å; Y452-Y454 AromaticContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD1 3.54Å; Y452-Y454 HydrophobicContact CE1-CD2 4.37Å; Y452-Y454 AromaticContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE1 3.63Å; Y452-Y454 HydrophobicContact CE1-CE2 4.43Å; Y452-Y454 AromaticContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CE1-CG 3.93Å; Y452-Y454 HydrophobicContact CG-CE2 4.49Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.45Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.43Å; Y452-Y454 PolarHBondContact O-N 3Å; Y454-C457 WeakPolarHBondContact O-CB 3.38Å; Y454-C457 PolarHBondContact O-N 3.26Å
455N74.2Confident80.5Confident105 Ų10581.2 Ų81.256%0.56142%0.417SS*.THydrogen-bonded Turntrans-58.6143.7175.3-63-69.5000111N414 C457N414-N455 PolarHBondContact ND2-O 2.73Å; N414-N455 PolarHBondContact OD1-O 3.02Å; N455-C457 PolarHBondContact O-N 3.31Å
456D68.4Low80.7Confident62 Ų6278.2 Ų78.233%0.33241%0.405SS..THydrogen-bonded Turntrans56.18.1177.8-64.5-26.5000116.8S506D456-S506 WeakPolarHBondContact OD1-CB 3.42Å; D456-S506 PolarHBondContact OD1-OG 3.32Å
457C68.8Low80.8Confident34 Ų3471.1 Ų71.123%0.2337%0.372CS..  trans-79.3-22.7-179.2-146.70000112.9G410 N414 Y454 N455 Q459G410-C457 WeakPolarHBondContact CA-O 3.39Å; N414-C457 WeakPolarHBondContact ND2-CA 3.48Å; N414-C457 WeakPolarHBondContact ND2-CB 3.39Å; N414-C457 PolarHBondContact ND2-N 2.88Å; Y454-C457 WeakPolarHBondContact O-CB 3.38Å; Y454-C457 PolarHBondContact O-N 3.26Å; N455-C457 PolarHBondContact O-N 3.31Å; C457-Q459 PolarHBondContact O-N 2.99Å
458Q72Confident81Confident83 Ų8368.9 Ų68.939%0.38836%0.361SS..SBendtrans-66.3124.7-179.2-176.469.3-74.500111W460 K495 D499Q458-W460 VanDerWaalsContact O-CD1 3.23Å; Q458-K495 HydrophobicContact CG-CD 3.87Å; Q458-D499 WeakPolarHBondContact CG-OD1 3.21Å; Q458-D499 PolarHBondContact NE2-OD1 3.49Å
459Q74.7Confident81Confident119 Ų11964.8 Ų64.856%0.55633%0.331SS*.  trans-74131.8-178.6-63.8-177.316.400111.3C457 K495C457-Q459 PolarHBondContact O-N 2.99Å; Q459-K495 WeakPolarHBondContact O-CE 3.45Å; Q459-K495 PolarHBondContact O-NZ 2.9Å
460W80.9Confident81.1Confident48 Ų4866.1 Ų66.118%0.18234%0.338CS..  trans-116.7111.1175.3-74.883.1000110Q458 E464 M465 F468 K495 D499 F503Q458-W460 VanDerWaalsContact O-CD1 3.23Å; W460-E464 HydrophobicContact CE3-CB 3.98Å; W460-E464 HydrophobicContact CZ3-CB 4.34Å; W460-M465 HydrophobicContact CB-CG 3.93Å; W460-M465 HydrophobicContact CB-SD 4.4Å; W460-M465 HydrophobicContact CE3-CG 4.46Å; W460-F468 HydrophobicContact CH2-CD2 4.12Å; W460-F468 HydrophobicContact CZ3-CB 4.17Å; W460-F468 HydrophobicContact CZ3-CD2 4.19Å; W460-F468 HydrophobicContact CZ3-CG 4.33Å; W460-K495 HydrophobicContact CD2-CD 4.26Å; W460-K495 VanDerWaalsContact CE2-CE 3.47Å; W460-K495 HydrophobicContact CE3-CD 4.49Å; W460-K495 HydrophobicContact CH2-CB 4.12Å; W460-K495 HydrophobicContact CH2-CD 3.83Å; W460-K495 HydrophobicContact CH2-CG 3.73Å; W460-K495 HydrophobicContact CZ2-CB 4.49Å; W460-K495 HydrophobicContact CZ2-CD 3.53Å; W460-K495 HydrophobicContact CZ2-CG 4Å; W460-K495 HydrophobicContact CZ3-CD 4.3Å; W460-K495 HydrophobicContact CZ3-CG 4.03Å; W460-D499 HydrophobicContact CZ2-CB 4.31Å; W460-F503 HydrophobicContact CB-CE2 4.45Å; W460-F503 AromaticContact CD1-CD2 3.81Å; W460-F503 HydrophobicContact CD2-CB 4.37Å; W460-F503 HydrophobicContact CD2-CD1 4.01Å; W460-F503 AromaticContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CE1 4.26Å; W460-F503 HydrophobicContact CD2-CE2 4.08Å; W460-F503 AromaticContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CZ 4.3Å; W460-F503 AromaticContact CE2-CD1 3.96Å; W460-F503 AromaticContact CE2-CD2 3.71Å; W460-F503 AromaticContact CE2-CG 3.45Å; W460-F503 VanDerWaalsContact CE2-CG 3.45Å; W460-F503 AromaticContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD2 4.49Å; W460-F503 AromaticContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CG 4.2Å; W460-F503 HydrophobicContact CE3-CZ 4.32Å; W460-F503 AromaticContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CE2 4Å; W460-F503 HydrophobicContact CG-CG 4.4Å; W460-F503 HydrophobicContact CH2-CB 3.96Å; W460-F503 AromaticContact CH2-CD1 3.78Å; W460-F503 HydrophobicContact CH2-CD1 3.78Å; W460-F503 AromaticContact CH2-CG 4Å; W460-F503 HydrophobicContact CH2-CG 4Å; W460-F503 HydrophobicContact CZ2-CB 3.28Å; W460-F503 AromaticContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD2 4.3Å; W460-F503 AromaticContact CZ2-CG 3.57Å; W460-F503 HydrophobicContact CZ2-CG 3.57Å; W460-F503 AromaticContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CE1 4.15Å; W460-F503 HydrophobicContact CZ3-CG 4.29Å; W460-F503 AromaticContact NE1-CD2 3.68Å; W460-F503 AromaticContact NE1-CG 3.82Å
461S81.8Confident81.5Confident45 Ų4562.9 Ų62.932%0.31532%0.324SS..  trans-72.7153.3171.765.20000111.2K463 E464 M465S461-K463 PolarHBondContact O-N 2.79Å; S461-K463 VanDerWaalsContact O-N 3.13Å; S461-E464 WeakPolarHBondContact CB-OE2 3.33Å; S461-E464 PolarHBondContact N-OE2 3.49Å; S461-E464 PolarHBondContact O-N 3.42Å; S461-E464 VanDerWaalsContact OG-CD 3.3Å; S461-E464 VanDerWaalsContact OG-CG 3.27Å; S461-E464 WeakPolarHBondContact OG-CG 3.15Å; S461-E464 PolarHBondContact OG-N 3.26Å; S461-E464 PolarHBondContact OG-OE2 3.19Å; S461-M465 WeakPolarHBondContact O-CG 3.42Å; S461-M465 PolarHBondContact O-N 3.34Å
462S81.2Confident81.9Confident51 Ų5156 Ų5636%0.35729%0.288SS..Hα-helixtrans-53.7-36.4177.4-49.40000112.7M50 M465 I466M50-S462 WeakPolarHBondContact SD-CB 3.49Å; M50-S462 PolarHBondContact SD-OG 3.44Å; M50-S462 VanDerWaalsContact SD-OG 3.37Å; S462-M465 PolarHBondContact O-N 2.9Å; S462-I466 WeakPolarHBondContact O-CD1 3.48Å; S462-I466 VanDerWaalsContact O-CG1 3.26Å; S462-I466 WeakPolarHBondContact O-CG1 3.3Å; S462-I466 PolarHBondContact O-N 2.92Å
463K85.1Confident82Confident97 Ų9753 Ų5342%0.42228%0.278SS..Hα-helixtrans-67-44.2177.3177.8174.8162.9-162.20112S461 I466 Q467 T489 M490S461-K463 PolarHBondContact O-N 2.79Å; S461-K463 VanDerWaalsContact O-N 3.13Å; K463-I466 PolarHBondContact O-N 3.33Å; K463-Q467 WeakPolarHBondContact O-CB 3.38Å; K463-Q467 VanDerWaalsContact O-CD 3.28Å; K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.19Å; K463-Q467 PolarHBondContact O-OE1 2.92Å; K463-T489 VanDerWaalsContact CE-O 3.31Å; K463-T489 WeakPolarHBondContact CE-O 3.26Å; K463-T489 PolarHBondContact NZ-O 3.39Å; K463-M490 HydrophobicContact CB-CE 3.92Å; K463-M490 HydrophobicContact CD-CE 3.66Å; K463-M490 HydrophobicContact CD-SD 3.76Å; K463-M490 VanDerWaalsContact CE-SD 3.54Å; K463-M490 HydrophobicContact CG-CE 3.92Å; K463-M490 HydrophobicContact CG-SD 4.43Å; K463-M490 PolarHBondContact NZ-SD 3.04Å
464E87.1Confident82.3Confident11 Ų1154.1 Ų54.15%0.05127%0.272CS..Hα-helixtrans-64-39.5173.4-69.6163.7121.600111.7W460 S461 Q467 F468 V486 M490 T494 K495W460-E464 HydrophobicContact CE3-CB 3.98Å; W460-E464 HydrophobicContact CZ3-CB 4.34Å; S461-E464 WeakPolarHBondContact CB-OE2 3.33Å; S461-E464 PolarHBondContact N-OE2 3.49Å; S461-E464 PolarHBondContact O-N 3.42Å; S461-E464 VanDerWaalsContact OG-CD 3.3Å; S461-E464 VanDerWaalsContact OG-CG 3.27Å; S461-E464 WeakPolarHBondContact OG-CG 3.15Å; S461-E464 PolarHBondContact OG-N 3.26Å; S461-E464 PolarHBondContact OG-OE2 3.19Å; E464-Q467 PolarHBondContact O-N 2.72Å; E464-F468 VanDerWaalsContact O-CB 3.26Å; E464-F468 WeakPolarHBondContact O-CB 3.19Å; E464-F468 PolarHBondContact O-N 2.94Å; E464-V486 HydrophobicContact CB-CG1 4.1Å; E464-V486 HydrophobicContact CG-CG1 4Å; E464-M490 HydrophobicContact CG-CE 4.26Å; E464-M490 HydrophobicContact CG-CG 4.34Å; E464-T494 WeakPolarHBondContact OE1-CB 3.44Å; E464-T494 PolarHBondContact OE1-OG1 2.71Å; E464-K495 IonicContact OE1-NZ 3.15Å; E464-K495 PolarHBondContact OE1-NZ 2.9Å; E464-K495 IonicContact OE2-NZ 2.62Å
465M86.2Confident82.1Confident52 Ų5253.6 Ų53.626%0.25627%0.273SS..Hα-helixtrans-64-43.2177.8-66.8178.574.600112.6W460 S461 S462 F468 E469 F503 F511W460-M465 HydrophobicContact CB-CG 3.93Å; W460-M465 HydrophobicContact CB-SD 4.4Å; W460-M465 HydrophobicContact CE3-CG 4.46Å; S461-M465 WeakPolarHBondContact O-CG 3.42Å; S461-M465 PolarHBondContact O-N 3.34Å; S462-M465 PolarHBondContact O-N 2.9Å; M465-F468 PolarHBondContact O-N 2.93Å; M465-E469 PolarHBondContact O-N 3.25Å; M465-F503 HydrophobicContact CE-CE2 4.34Å; M465-F503 HydrophobicContact CE-CZ 3.87Å; M465-F503 HydrophobicContact CG-CZ 3.87Å; M465-F511 HydrophobicContact CE-CE1 4.2Å; M465-F511 HydrophobicContact CE-CZ 4.4Å
466I86.9Confident82.4Confident87 Ų8752.5 Ų52.545%0.44627%0.267SS..Hα-helixtrans-65.1-44.6176.4-69.2163.4000110.2S462 K463 F468 E469 D470S462-I466 WeakPolarHBondContact O-CD1 3.48Å; S462-I466 VanDerWaalsContact O-CG1 3.26Å; S462-I466 WeakPolarHBondContact O-CG1 3.3Å; S462-I466 PolarHBondContact O-N 2.92Å; K463-I466 PolarHBondContact O-N 3.33Å; I466-F468 VanDerWaalsContact C-N 3.3Å; I466-F468 PolarHBondContact O-N 2.82Å; I466-E469 PolarHBondContact O-N 3.17Å; I466-D470 PolarHBondContact O-N 3.26Å
467Q86.4Confident83.2Confident30 Ų3054.5 Ų54.514%0.1427%0.273CS..Hα-helixtrans-63.6-35.9178.2-72.6165.3-4.100112.4K463 E464 A471 V486 T489K463-Q467 WeakPolarHBondContact O-CB 3.38Å; K463-Q467 VanDerWaalsContact O-CD 3.28Å; K463-Q467 WeakPolarHBondContact O-CG 3.46Å; K463-Q467 PolarHBondContact O-N 3.19Å; K463-Q467 PolarHBondContact O-OE1 2.92Å; E464-Q467 PolarHBondContact O-N 2.72Å; Q467-A471 WeakPolarHBondContact O-CB 3.49Å; Q467-A471 PolarHBondContact O-N 3.24Å; Q467-V486 HydrophobicContact CB-CG2 4.27Å; Q467-T489 VanDerWaalsContact NE2-CB 3.29Å
468F89.6Confident84.2Confident0 Ų057.4 Ų57.40%029%0.286CS..Hα-helixtrans-65.8-42.6172.5177-90.9000112.4W460 E464 M465 I466 A471 L472 V482 V486 C500 F503 W507W460-F468 HydrophobicContact CH2-CD2 4.12Å; W460-F468 HydrophobicContact CZ3-CB 4.17Å; W460-F468 HydrophobicContact CZ3-CD2 4.19Å; W460-F468 HydrophobicContact CZ3-CG 4.33Å; E464-F468 VanDerWaalsContact O-CB 3.26Å; E464-F468 WeakPolarHBondContact O-CB 3.19Å; E464-F468 PolarHBondContact O-N 2.94Å; M465-F468 PolarHBondContact O-N 2.93Å; I466-F468 VanDerWaalsContact C-N 3.3Å; I466-F468 PolarHBondContact O-N 2.82Å; F468-A471 PolarHBondContact O-N 3.5Å; F468-L472 HydrophobicContact CD1-CD1 3.83Å; F468-L472 HydrophobicContact CD1-CG 4.46Å; F468-L472 HydrophobicContact CE1-CD1 3.28Å; F468-L472 HydrophobicContact CE1-CG 4.21Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.59Å; F468-L472 HydrophobicContact CZ-CG 4.28Å; F468-L472 WeakPolarHBondContact O-CB 2.82Å; F468-L472 WeakPolarHBondContact O-CG 3.29Å; F468-L472 PolarHBondContact O-N 3.39Å; F468-V482 HydrophobicContact CD2-CG1 3.42Å; F468-V482 VanDerWaalsContact CD2-CG1 3.42Å; F468-V482 HydrophobicContact CE2-CG1 3.75Å; F468-V482 HydrophobicContact CG-CG1 4.31Å; F468-V486 HydrophobicContact CB-CG2 4.05Å; F468-C500 HydrophobicContact CE2-CB 4.04Å; F468-C500 WeakPolarHBondContact CE2-O 3.47Å; F468-F503 HydrophobicContact CB-CE1 4.45Å; F468-F503 AromaticContact CD1-CD1 3.64Å; F468-F503 HydrophobicContact CD1-CD1 3.64Å; F468-F503 AromaticContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD1-CE1 3.44Å; F468-F503 VanDerWaalsContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD2-CD1 4.02Å; F468-F503 HydrophobicContact CD2-CE1 4.49Å; F468-F503 AromaticContact CE1-CD1 3.46Å; F468-F503 HydrophobicContact CE1-CD1 3.46Å; F468-F503 VanDerWaalsContact CE1-CD1 3.46Å; F468-F503 AromaticContact CE1-CE1 3.6Å; F468-F503 HydrophobicContact CE1-CE1 3.6Å; F468-F503 AromaticContact CE2-CD1 3.89Å; F468-F503 HydrophobicContact CE2-CD1 3.89Å; F468-F503 AromaticContact CG-CD1 3.89Å; F468-F503 HydrophobicContact CG-CD1 3.89Å; F468-F503 AromaticContact CG-CE1 3.9Å; F468-F503 HydrophobicContact CG-CE1 3.9Å; F468-F503 AromaticContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CE1 4.22Å; F468-W507 HydrophobicContact CE1-CE3 4.09Å; F468-W507 HydrophobicContact CE1-CZ3 4.31Å
469E87.8Confident85Confident39 Ų3955 Ų5518%0.18227%0.274CS..Hα-helixtrans-64.8-44.7174.9-168.4169.1164.600111.3M465 I466 A471 L472 L473 W507 F518M465-E469 PolarHBondContact O-N 3.25Å; I466-E469 PolarHBondContact O-N 3.17Å; E469-A471 PolarHBondContact O-N 3.2Å; E469-L472 PolarHBondContact O-N 2.86Å; E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 2.87Å; E469-W507 HydrophobicContact CG-CH2 4.25Å; E469-W507 HydrophobicContact CG-CZ2 4.32Å; E469-F518 HydrophobicContact CG-CB 4.37Å; E469-F518 HydrophobicContact CG-CD2 3.72Å; E469-F518 HydrophobicContact CG-CE2 4.5Å; E469-F518 HydrophobicContact CG-CG 4.43Å; E469-F518 WeakPolarHBondContact OE1-CA 3.29Å; E469-F518 WeakPolarHBondContact OE1-CB 3.13Å
470D87.4Confident85.7Confident73 Ų7355 Ų5539%0.3928%0.278SS..Hα-helixtrans-61.7-40.1175.3-93.9-7.6000113I466 L473 K474I466-D470 PolarHBondContact O-N 3.26Å; D470-L473 PolarHBondContact O-N 3.33Å; D470-K474 WeakPolarHBondContact O-CD 3.19Å; D470-K474 VanDerWaalsContact O-CG 3.25Å; D470-K474 WeakPolarHBondContact O-CG 3.47Å; D470-K474 PolarHBondContact O-N 3.38Å; D470-K474 VanDerWaalsContact O-N 3.09Å
471A89.6Confident85.9Confident5 Ų558.5 Ų58.54%0.04130%0.296CS..Hα-helixtrans-69.1-43177.500000111.6Q467 F468 E469 L473 K474 G475 V482 A485Q467-A471 WeakPolarHBondContact O-CB 3.49Å; Q467-A471 PolarHBondContact O-N 3.24Å; F468-A471 PolarHBondContact O-N 3.5Å; E469-A471 PolarHBondContact O-N 3.2Å; A471-L473 PolarHBondContact O-N 3.32Å; A471-K474 PolarHBondContact O-N 3.05Å; A471-G475 PolarHBondContact O-N 3.2Å; A471-V482 HydrophobicContact CB-CB 4.27Å; A471-V482 HydrophobicContact CB-CG1 4.11Å; A471-V482 HydrophobicContact CB-CG2 4.15Å; A471-A485 HydrophobicContact CB-CB 3.76Å
472L90.3Very high86.2Confident0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-64.5-23.1171.8-74.8-179.8000113.6F468 E469 D476 F479 V482 Y504 W507 F518F468-L472 HydrophobicContact CD1-CD1 3.83Å; F468-L472 HydrophobicContact CD1-CG 4.46Å; F468-L472 HydrophobicContact CE1-CD1 3.28Å; F468-L472 HydrophobicContact CE1-CG 4.21Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.59Å; F468-L472 HydrophobicContact CZ-CG 4.28Å; F468-L472 WeakPolarHBondContact O-CB 2.82Å; F468-L472 WeakPolarHBondContact O-CG 3.29Å; F468-L472 PolarHBondContact O-N 3.39Å; E469-L472 PolarHBondContact O-N 2.86Å; L472-D476 WeakPolarHBondContact CD2-O 3.34Å; L472-D476 WeakPolarHBondContact O-CA 3.39Å; L472-F479 HydrophobicContact CD2-CE1 4.24Å; L472-V482 HydrophobicContact CD2-CG2 3.94Å; L472-V482 HydrophobicContact CG-CG2 4.41Å; L472-Y504 HydrophobicContact CD1-CD2 4.06Å; L472-W507 HydrophobicContact CD1-CE3 4.48Å; L472-W507 HydrophobicContact CD1-CH2 4.44Å; L472-W507 HydrophobicContact CD1-CZ3 3.78Å; L472-F518 HydrophobicContact CB-CE2 3.74Å; L472-F518 HydrophobicContact CB-CZ 3.79Å; L472-F518 HydrophobicContact CD1-CZ 4.42Å
473L85.9Confident86.5Confident32 Ų3255 Ų5517%0.16827%0.272CS..Hα-helixtrans-78.9-23.6169.7-73.1174.3000112.6E469 D470 A471 F518 A521 K522 R525E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 2.87Å; D470-L473 PolarHBondContact O-N 3.33Å; A471-L473 PolarHBondContact O-N 3.32Å; L473-F518 HydrophobicContact CD2-CD2 3.8Å; L473-F518 HydrophobicContact CD2-CE2 3.62Å; L473-F518 HydrophobicContact CG-CD2 3.98Å; L473-F518 HydrophobicContact CG-CE2 3.77Å; L473-A521 HydrophobicContact CD2-CB 4.44Å; L473-K522 HydrophobicContact CD2-CB 4.06Å; L473-R525 PolarHBondContact O-NH1 3.36Å; L473-R525 PolarHBondContact O-NH2 3.3Å
474K84.4Confident86.5Confident144 Ų14452.8 Ų52.863%0.62627%0.272SS*.Hα-helixtrans-90.8-61.9-179-71.6162.8-173.1167.60112.4D470 A471D470-K474 WeakPolarHBondContact O-CD 3.19Å; D470-K474 VanDerWaalsContact O-CG 3.25Å; D470-K474 WeakPolarHBondContact O-CG 3.47Å; D470-K474 PolarHBondContact O-N 3.38Å; D470-K474 VanDerWaalsContact O-N 3.09Å; A471-K474 PolarHBondContact O-N 3.05Å
475G75Confident86.3Confident8 Ų854 Ų548%0.08228%0.284CS..SBendtrans-10426.9-176.200000113.7A471 K477 D478A471-G475 PolarHBondContact O-N 3.2Å; G475-K477 PolarHBondContact O-N 3.12Å; G475-D478 WeakPolarHBondContact O-CB 3.19Å; G475-D478 PolarHBondContact O-N 3.44Å
476D81.2Confident86.2Confident83 Ų8351.5 Ų51.544%0.44427%0.272SS..THydrogen-bonded Turntrans55.9-74.5166.5-122.854.7000118.4L472 K522L472-D476 WeakPolarHBondContact CD2-O 3.34Å; L472-D476 WeakPolarHBondContact O-CA 3.39Å; D476-K522 IonicContact OD1-NZ 2.71Å; D476-K522 PolarHBondContact OD1-NZ 2.95Å; D476-K522 IonicContact OD2-NZ 2.68Å; D476-K522 PolarHBondContact OD2-NZ 2.88Å
477K85.7Confident85.5Confident103 Ų10348.2 Ų48.245%0.44826%0.259SS..THydrogen-bonded Turntrans-146.310.6178.2-78.5-162.3168.5-156.40113.1G475 F479 Y504G475-K477 PolarHBondContact O-N 3.12Å; K477-F479 HydrophobicContact CB-CE2 4.5Å; K477-F479 WeakPolarHBondContact O-CD2 3.44Å; K477-F479 WeakPolarHBondContact O-CE2 3.42Å; K477-F479 PolarHBondContact O-N 3.44Å; K477-Y504 VanDerWaalsContact CE-OH 3.27Å; K477-Y504 WeakPolarHBondContact CE-OH 3.16Å; K477-Y504 PolarHBondContact NZ-OH 3.21Å; K477-Y504 VanDerWaalsContact NZ-OH 3.12Å
478D89.5Confident84.3Confident96 Ų9652.4 Ų52.451%0.51329%0.286SS..  trans-80.980.3-177.4-61.3-53.5000108G475 N480 E481 V482G475-D478 WeakPolarHBondContact O-CB 3.19Å; G475-D478 PolarHBondContact O-N 3.44Å; D478-N480 PolarHBondContact O-N 3.37Å; D478-E481 HydrophobicContact CB-CG 4.42Å; D478-E481 WeakPolarHBondContact O-CA 3.2Å; D478-E481 WeakPolarHBondContact O-CB 3.34Å; D478-E481 PolarHBondContact O-N 3Å; D478-V482 PolarHBondContact O-N 3.37Å
479F89.2Confident82.9Confident32 Ų3255.8 Ų55.814%0.1431%0.307CS..Hα-helixtrans-60-15.5-169.3-70.3-75.3000114.2L472 K477 S483 V497 C500 I501 Y504L472-F479 HydrophobicContact CD2-CE1 4.24Å; K477-F479 HydrophobicContact CB-CE2 4.5Å; K477-F479 WeakPolarHBondContact O-CD2 3.44Å; K477-F479 WeakPolarHBondContact O-CE2 3.42Å; K477-F479 PolarHBondContact O-N 3.44Å; F479-S483 WeakPolarHBondContact O-CB 3.29Å; F479-S483 PolarHBondContact O-N 3.34Å; F479-V497 HydrophobicContact CB-CG1 3.86Å; F479-C500 HydrophobicContact CD1-CB 4.08Å; F479-I501 HydrophobicContact CB-CD1 4.33Å; F479-I501 HydrophobicContact CB-CG1 4.05Å; F479-I501 HydrophobicContact CD1-CG1 3.89Å; F479-I501 HydrophobicContact CD2-CD1 4.08Å; F479-I501 HydrophobicContact CD2-CG1 3.57Å; F479-I501 HydrophobicContact CE1-CG1 4.2Å; F479-I501 HydrophobicContact CE2-CG1 3.91Å; F479-I501 HydrophobicContact CG-CD1 4.24Å; F479-I501 HydrophobicContact CG-CG1 3.56Å; F479-I501 HydrophobicContact CZ-CG1 4.21Å; F479-Y504 HydrophobicContact CE1-CG 4.17Å; F479-Y504 HydrophobicContact CZ-CD1 4.1Å; F479-Y504 HydrophobicContact CZ-CD2 4.28Å; F479-Y504 AromaticContact CZ-CG 3.84Å; F479-Y504 HydrophobicContact CZ-CG 3.84Å
480N89.3Confident81.4Confident120 Ų12056.3 Ų56.364%0.64231%0.31SS*.Hα-helixtrans-64.6-47.8167.9-61.5-14.6000111.2D478 V482 A484D478-N480 PolarHBondContact O-N 3.37Å; N480-V482 VanDerWaalsContact C-N 3.35Å; N480-A484 WeakPolarHBondContact O-CB 3.48Å; N480-A484 PolarHBondContact O-N 2.99Å
481E85.4Confident79.7Confident120 Ų12065.3 Ų65.356%0.56134%0.339SS*.Hα-helixtrans-67.4-35.8174.4-60.7-169173.900111.7D478 A484 A485D478-E481 HydrophobicContact CB-CG 4.42Å; D478-E481 WeakPolarHBondContact O-CA 3.2Å; D478-E481 WeakPolarHBondContact O-CB 3.34Å; D478-E481 PolarHBondContact O-N 3Å; E481-A484 PolarHBondContact O-N 3.38Å; E481-A485 VanDerWaalsContact O-CB 3.26Å; E481-A485 WeakPolarHBondContact O-CB 3.44Å; E481-A485 PolarHBondContact O-N 3.39Å
482V87.9Confident77.9Confident0 Ų069.6 Ų69.60%036%0.364CS..Hα-helixtrans-66.6-46.7177.4-178.80000111.4F468 A471 L472 D478 N480 A484 A485 V486 C500F468-V482 HydrophobicContact CD2-CG1 3.42Å; F468-V482 VanDerWaalsContact CD2-CG1 3.42Å; F468-V482 HydrophobicContact CE2-CG1 3.75Å; F468-V482 HydrophobicContact CG-CG1 4.31Å; A471-V482 HydrophobicContact CB-CB 4.27Å; A471-V482 HydrophobicContact CB-CG1 4.11Å; A471-V482 HydrophobicContact CB-CG2 4.15Å; L472-V482 HydrophobicContact CD2-CG2 3.94Å; L472-V482 HydrophobicContact CG-CG2 4.41Å; D478-V482 PolarHBondContact O-N 3.37Å; N480-V482 VanDerWaalsContact C-N 3.35Å; V482-A484 VanDerWaalsContact C-N 3.34Å; V482-A485 PolarHBondContact O-N 3.32Å; V482-V486 WeakPolarHBondContact O-CG2 3.47Å; V482-V486 PolarHBondContact O-N 3.32Å; V482-C500 HydrophobicContact CG1-CB 4.38Å
483S87.4Confident76.3Confident22 Ų2272.6 Ų72.615%0.15440%0.396CS..Hα-helixtrans-62.7-41.5175.3177.30000111F479 G487 K495 V497F479-S483 WeakPolarHBondContact O-CB 3.29Å; F479-S483 PolarHBondContact O-N 3.34Å; S483-G487 PolarHBondContact O-N 3.02Å; S483-K495 PolarHBondContact OG-O 2.68Å; S483-V497 PolarHBondContact OG-N 2.91Å
484A84.8Confident75.5Confident51 Ų5173.4 Ų73.442%0.42140%0.402SS..Hα-helixtrans-62.3-47.8173.300000112.5N480 E481 V482 V486 G487 V488N480-A484 WeakPolarHBondContact O-CB 3.48Å; N480-A484 PolarHBondContact O-N 2.99Å; E481-A484 PolarHBondContact O-N 3.38Å; V482-A484 VanDerWaalsContact C-N 3.34Å; A484-V486 PolarHBondContact O-N 3.11Å; A484-G487 CarbonylContact O-C 3.48Å; A484-G487 PolarHBondContact O-N 2.82Å; A484-V488 VanDerWaalsContact O-CB 3.25Å; A484-V488 WeakPolarHBondContact O-CB 3.36Å; A484-V488 WeakPolarHBondContact O-CG2 3.18Å; A484-V488 PolarHBondContact O-N 3.08Å
485A83.1Confident75.4Confident37 Ų3766.9 Ų66.931%0.30637%0.373SS..Hα-helixtrans-63.2-39.9-178.100000113A471 E481 V482 T489A471-A485 HydrophobicContact CB-CB 3.76Å; E481-A485 VanDerWaalsContact O-CB 3.26Å; E481-A485 WeakPolarHBondContact O-CB 3.44Å; E481-A485 PolarHBondContact O-N 3.39Å; V482-A485 PolarHBondContact O-N 3.32Å; A485-T489 PolarHBondContact O-OG1 2.93Å
486V82.6Confident75.9Confident0 Ų069 Ų690%039%0.387CS..Hα-helixtrans-68.2-47.4173.4175.80000110.3E464 Q467 F468 V482 A484 V488 T489 K495E464-V486 HydrophobicContact CB-CG1 4.1Å; E464-V486 HydrophobicContact CG-CG1 4Å; Q467-V486 HydrophobicContact CB-CG2 4.27Å; F468-V486 HydrophobicContact CB-CG2 4.05Å; V482-V486 WeakPolarHBondContact O-CG2 3.47Å; V482-V486 PolarHBondContact O-N 3.32Å; A484-V486 PolarHBondContact O-N 3.11Å; V486-V488 PolarHBondContact O-N 2.93Å; V486-T489 PolarHBondContact O-N 3.23Å; V486-K495 HydrophobicContact CG1-CB 4.08Å; V486-K495 HydrophobicContact CG1-CG 3.92Å
487G73.5Confident76.3Confident18 Ų1867.4 Ų67.419%0.18638%0.38CS..Hα-helixtrans-75.3-12.8-176.900000116.7S483 A484S483-G487 PolarHBondContact O-N 3.02Å; A484-G487 CarbonylContact O-C 3.48Å; A484-G487 PolarHBondContact O-N 2.82Å
488V61.4Low76.5Confident117 Ų11765.7 Ų65.771%0.70939%0.385SS*.Hα-helixtrans-88.2-31.2174.1163.50000111.8A484 V486 M490A484-V488 VanDerWaalsContact O-CB 3.25Å; A484-V488 WeakPolarHBondContact O-CB 3.36Å; A484-V488 WeakPolarHBondContact O-CG2 3.18Å; A484-V488 PolarHBondContact O-N 3.08Å; V486-V488 PolarHBondContact O-N 2.93Å; V488-M490 CarbonylContact C-O 3.11Å
489T58.8Low76.3Confident71 Ų7162.6 Ų62.644%0.43637%0.369SS..Hα-helixtrans-95.1-8.4-169.5-35.90000113.2K463 Q467 A485 V486K463-T489 VanDerWaalsContact CE-O 3.31Å; K463-T489 WeakPolarHBondContact CE-O 3.26Å; K463-T489 PolarHBondContact NZ-O 3.39Å; Q467-T489 VanDerWaalsContact NE2-CB 3.29Å; A485-T489 PolarHBondContact O-OG1 2.93Å; V486-T489 PolarHBondContact O-N 3.23Å
490M56.7Low76.3Confident51 Ų5161.1 Ų61.125%0.25136%0.362SS..SBendtrans-106.5143.3151-62.7-63.7-150.100107.2K463 E464 V488 V492K463-M490 HydrophobicContact CB-CE 3.92Å; K463-M490 HydrophobicContact CD-CE 3.66Å; K463-M490 HydrophobicContact CD-SD 3.76Å; K463-M490 VanDerWaalsContact CE-SD 3.54Å; K463-M490 HydrophobicContact CG-CE 3.92Å; K463-M490 HydrophobicContact CG-SD 4.43Å; K463-M490 PolarHBondContact NZ-SD 3.04Å; E464-M490 HydrophobicContact CG-CE 4.26Å; E464-M490 HydrophobicContact CG-CG 4.34Å; V488-M490 CarbonylContact C-O 3.11Å; M490-V492 PolarHBondContact O-N 3.21Å
491R52.5Low76.4Confident261 Ų26158.5 Ų58.599%0.98535%0.347SS*.SBendtrans-74.825.7178.9-68.6-175.3176.8173.4-1.8113.8
492V52.4Low76.5Confident95 Ų9555.1 Ų55.158%0.57634%0.34SS*.SBendtrans-144.6123.8-179.6-176.80000105.7M490 T494M490-V492 PolarHBondContact O-N 3.21Å; V492-T494 HydrophobicContact CB-CG2 3.89Å; V492-T494 HydrophobicContact CG1-CG2 3.62Å; V492-T494 PolarHBondContact O-N 3.28Å
493G56.7Low76.5Confident64 Ų6455.9 Ų55.966%0.6634%0.343SS*.  trans-73.460.217700000112.3K495G493-K495 PolarHBondContact O-N 2.76Å
494T68Low76.6Confident48 Ų4855.5 Ų55.529%0.29434%0.339SS..  trans-64.9-18.9-168.149.40000115.4E464 V492E464-T494 WeakPolarHBondContact OE1-CB 3.44Å; E464-T494 PolarHBondContact OE1-OG1 2.71Å; V492-T494 HydrophobicContact CB-CG2 3.89Å; V492-T494 HydrophobicContact CG1-CG2 3.62Å; V492-T494 PolarHBondContact O-N 3.28Å
495K81.8Confident76.9Confident7 Ų758.9 Ų58.93%0.0334%0.341CS..  trans-128.6105.9-171.7-59.1-61.6-176.8-760110.4Q458 Q459 W460 E464 S483 V486 G493 D499Q458-K495 HydrophobicContact CG-CD 3.87Å; Q459-K495 WeakPolarHBondContact O-CE 3.45Å; Q459-K495 PolarHBondContact O-NZ 2.9Å; W460-K495 HydrophobicContact CD2-CD 4.26Å; W460-K495 VanDerWaalsContact CE2-CE 3.47Å; W460-K495 HydrophobicContact CE3-CD 4.49Å; W460-K495 HydrophobicContact CH2-CB 4.12Å; W460-K495 HydrophobicContact CH2-CD 3.83Å; W460-K495 HydrophobicContact CH2-CG 3.73Å; W460-K495 HydrophobicContact CZ2-CB 4.49Å; W460-K495 HydrophobicContact CZ2-CD 3.53Å; W460-K495 HydrophobicContact CZ2-CG 4Å; W460-K495 HydrophobicContact CZ3-CD 4.3Å; W460-K495 HydrophobicContact CZ3-CG 4.03Å; E464-K495 IonicContact OE1-NZ 3.15Å; E464-K495 PolarHBondContact OE1-NZ 2.9Å; E464-K495 IonicContact OE2-NZ 2.62Å; S483-K495 PolarHBondContact OG-O 2.68Å; V486-K495 HydrophobicContact CG1-CB 4.08Å; V486-K495 HydrophobicContact CG1-CG 3.92Å; G493-K495 PolarHBondContact O-N 2.76Å; K495-D499 HydrophobicContact CB-CB 4.17Å; K495-D499 HydrophobicContact CD-CB 3.99Å
496S86.8Confident76.9Confident52 Ų5258.2 Ų58.236%0.36433%0.334SS..  trans-66.5167.8171.672.90000111.6A498 D499 C500S496-A498 PolarHBondContact O-N 3.41Å; S496-A498 PolarHBondContact OG-N 3.4Å; S496-D499 WeakPolarHBondContact CA-OD2 3.23Å; S496-D499 VanDerWaalsContact CB-OD2 3.25Å; S496-D499 WeakPolarHBondContact CB-OD2 3.15Å; S496-D499 PolarHBondContact N-OD2 3.01Å; S496-D499 WeakPolarHBondContact O-CB 3.5Å; S496-D499 PolarHBondContact O-N 3.02Å; S496-D499 VanDerWaalsContact O-N 3.09Å; S496-D499 PolarHBondContact OG-N 2.89Å; S496-D499 VanDerWaalsContact OG-N 3.15Å; S496-D499 PolarHBondContact OG-OD2 3.49Å; S496-C500 PolarHBondContact O-N 3.11Å; S496-C500 PolarHBondContact O-SG 3.48Å; S496-C500 VanDerWaalsContact O-SG 3.38Å
497V89.3Confident77Confident51 Ų5158.4 Ų58.431%0.30934%0.335SS..Hα-helixtrans-54.5-34.8170.2179.60000111.3F479 S483 I501F479-V497 HydrophobicContact CB-CG1 3.86Å; S483-V497 PolarHBondContact OG-N 2.91Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CB 3.22Å; V497-I501 WeakPolarHBondContact O-CD1 3.35Å; V497-I501 VanDerWaalsContact O-CG1 3.22Å; V497-I501 WeakPolarHBondContact O-CG1 3.36Å; V497-I501 PolarHBondContact O-N 3.26Å
498A88.4Confident77.7Confident67 Ų6761.7 Ų61.755%0.55434%0.344SS*.Hα-helixtrans-68.6-43.1176.200000112.3S496 C500 I501 A502S496-A498 PolarHBondContact O-N 3.41Å; S496-A498 PolarHBondContact OG-N 3.4Å; A498-C500 PolarHBondContact O-N 3.47Å; A498-I501 PolarHBondContact O-N 3.43Å; A498-A502 WeakPolarHBondContact O-CB 3.31Å; A498-A502 PolarHBondContact O-N 2.89Å
499D87.2Confident78.9Confident31 Ų3161.5 Ų61.517%0.16634%0.338CS..Hα-helixtrans-60.5-45.1174.8-61.7-79.6000111.2Q458 W460 K495 S496 I501 A502 F503Q458-D499 WeakPolarHBondContact CG-OD1 3.21Å; Q458-D499 PolarHBondContact NE2-OD1 3.49Å; W460-D499 HydrophobicContact CZ2-CB 4.31Å; K495-D499 HydrophobicContact CB-CB 4.17Å; K495-D499 HydrophobicContact CD-CB 3.99Å; S496-D499 WeakPolarHBondContact CA-OD2 3.23Å; S496-D499 VanDerWaalsContact CB-OD2 3.25Å; S496-D499 WeakPolarHBondContact CB-OD2 3.15Å; S496-D499 PolarHBondContact N-OD2 3.01Å; S496-D499 WeakPolarHBondContact O-CB 3.5Å; S496-D499 PolarHBondContact O-N 3.02Å; S496-D499 VanDerWaalsContact O-N 3.09Å; S496-D499 PolarHBondContact OG-N 2.89Å; S496-D499 VanDerWaalsContact OG-N 3.15Å; S496-D499 PolarHBondContact OG-OD2 3.49Å; D499-I501 VanDerWaalsContact C-N 3.32Å; D499-I501 PolarHBondContact O-N 3.41Å; D499-A502 PolarHBondContact O-N 3.34Å; D499-F503 VanDerWaalsContact O-CB 3.3Å; D499-F503 WeakPolarHBondContact O-CB 3.26Å; D499-F503 PolarHBondContact O-N 2.92Å
500C89.2Confident79.8Confident0 Ų061.6 Ų61.60%034%0.338CS..Hα-helixtrans-62.4-38177.9-66.50000112.3F468 F479 V482 S496 A498 Y504F468-C500 HydrophobicContact CE2-CB 4.04Å; F468-C500 WeakPolarHBondContact CE2-O 3.47Å; F479-C500 HydrophobicContact CD1-CB 4.08Å; V482-C500 HydrophobicContact CG1-CB 4.38Å; S496-C500 PolarHBondContact O-N 3.11Å; S496-C500 PolarHBondContact O-SG 3.48Å; S496-C500 VanDerWaalsContact O-SG 3.38Å; A498-C500 PolarHBondContact O-N 3.47Å; C500-Y504 WeakPolarHBondContact O-CB 3.26Å; C500-Y504 PolarHBondContact O-N 3.36Å
501I90.9Very high80.9Confident65 Ų6563.7 Ų63.733%0.33335%0.346SS..Hα-helixtrans-70.3-45.2175.4-71.2167.5000111F479 V497 A498 D499 Y504 Y505F479-I501 HydrophobicContact CB-CD1 4.33Å; F479-I501 HydrophobicContact CB-CG1 4.05Å; F479-I501 HydrophobicContact CD1-CG1 3.89Å; F479-I501 HydrophobicContact CD2-CD1 4.08Å; F479-I501 HydrophobicContact CD2-CG1 3.57Å; F479-I501 HydrophobicContact CE1-CG1 4.2Å; F479-I501 HydrophobicContact CE2-CG1 3.91Å; F479-I501 HydrophobicContact CG-CD1 4.24Å; F479-I501 HydrophobicContact CG-CG1 3.56Å; F479-I501 HydrophobicContact CZ-CG1 4.21Å; V497-I501 HydrophobicContact CG1-CD1 3.91Å; V497-I501 WeakPolarHBondContact O-CB 3.22Å; V497-I501 WeakPolarHBondContact O-CD1 3.35Å; V497-I501 VanDerWaalsContact O-CG1 3.22Å; V497-I501 WeakPolarHBondContact O-CG1 3.36Å; V497-I501 PolarHBondContact O-N 3.26Å; A498-I501 PolarHBondContact O-N 3.43Å; D499-I501 VanDerWaalsContact C-N 3.32Å; D499-I501 PolarHBondContact O-N 3.41Å; I501-Y504 WeakPolarHBondContact O-CB 3.45Å; I501-Y504 PolarHBondContact O-N 3.45Å; I501-Y505 HydrophobicContact CG2-CD2 4.14Å; I501-Y505 HydrophobicContact CG2-CE2 3.93Å; I501-Y505 WeakPolarHBondContact O-CD2 3.38Å; I501-Y505 PolarHBondContact O-N 2.81Å
502A87.3Confident82.5Confident49 Ų4958.1 Ų58.141%0.40533%0.329SS..Hα-helixtrans-58.3-52.5176.600000110.7A498 D499 Y504 Y505 S506A498-A502 WeakPolarHBondContact O-CB 3.31Å; A498-A502 PolarHBondContact O-N 2.89Å; D499-A502 PolarHBondContact O-N 3.34Å; A502-Y504 VanDerWaalsContact C-N 3.32Å; A502-Y504 PolarHBondContact O-N 3.45Å; A502-Y505 PolarHBondContact O-N 3.45Å; A502-S506 PolarHBondContact O-N 3.08Å; A502-S506 PolarHBondContact O-OG 2.96Å
503F87.6Confident84Confident16 Ų1664.6 Ų64.67%0.0734%0.343CS..Hα-helixtrans-59.9-37.1177.6-177.4-113.3000112.6W460 M465 F468 D499 Y505 S506 W507W460-F503 HydrophobicContact CB-CE2 4.45Å; W460-F503 AromaticContact CD1-CD2 3.81Å; W460-F503 HydrophobicContact CD2-CB 4.37Å; W460-F503 HydrophobicContact CD2-CD1 4.01Å; W460-F503 AromaticContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CD2 3.82Å; W460-F503 HydrophobicContact CD2-CE1 4.26Å; W460-F503 HydrophobicContact CD2-CE2 4.08Å; W460-F503 AromaticContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CG 3.81Å; W460-F503 HydrophobicContact CD2-CZ 4.3Å; W460-F503 AromaticContact CE2-CD1 3.96Å; W460-F503 AromaticContact CE2-CD2 3.71Å; W460-F503 AromaticContact CE2-CG 3.45Å; W460-F503 VanDerWaalsContact CE2-CG 3.45Å; W460-F503 AromaticContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD1 3.92Å; W460-F503 HydrophobicContact CE3-CD2 4.49Å; W460-F503 AromaticContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CE1 3.99Å; W460-F503 HydrophobicContact CE3-CG 4.2Å; W460-F503 HydrophobicContact CE3-CZ 4.32Å; W460-F503 AromaticContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CD2 3.93Å; W460-F503 HydrophobicContact CG-CE2 4Å; W460-F503 HydrophobicContact CG-CG 4.4Å; W460-F503 HydrophobicContact CH2-CB 3.96Å; W460-F503 AromaticContact CH2-CD1 3.78Å; W460-F503 HydrophobicContact CH2-CD1 3.78Å; W460-F503 AromaticContact CH2-CG 4Å; W460-F503 HydrophobicContact CH2-CG 4Å; W460-F503 HydrophobicContact CZ2-CB 3.28Å; W460-F503 AromaticContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD1 3.86Å; W460-F503 HydrophobicContact CZ2-CD2 4.3Å; W460-F503 AromaticContact CZ2-CG 3.57Å; W460-F503 HydrophobicContact CZ2-CG 3.57Å; W460-F503 AromaticContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CD1 3.8Å; W460-F503 HydrophobicContact CZ3-CE1 4.15Å; W460-F503 HydrophobicContact CZ3-CG 4.29Å; W460-F503 AromaticContact NE1-CD2 3.68Å; W460-F503 AromaticContact NE1-CG 3.82Å; M465-F503 HydrophobicContact CE-CE2 4.34Å; M465-F503 HydrophobicContact CE-CZ 3.87Å; M465-F503 HydrophobicContact CG-CZ 3.87Å; F468-F503 HydrophobicContact CB-CE1 4.45Å; F468-F503 AromaticContact CD1-CD1 3.64Å; F468-F503 HydrophobicContact CD1-CD1 3.64Å; F468-F503 AromaticContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD1-CE1 3.44Å; F468-F503 VanDerWaalsContact CD1-CE1 3.44Å; F468-F503 HydrophobicContact CD2-CD1 4.02Å; F468-F503 HydrophobicContact CD2-CE1 4.49Å; F468-F503 AromaticContact CE1-CD1 3.46Å; F468-F503 HydrophobicContact CE1-CD1 3.46Å; F468-F503 VanDerWaalsContact CE1-CD1 3.46Å; F468-F503 AromaticContact CE1-CE1 3.6Å; F468-F503 HydrophobicContact CE1-CE1 3.6Å; F468-F503 AromaticContact CE2-CD1 3.89Å; F468-F503 HydrophobicContact CE2-CD1 3.89Å; F468-F503 AromaticContact CG-CD1 3.89Å; F468-F503 HydrophobicContact CG-CD1 3.89Å; F468-F503 AromaticContact CG-CE1 3.9Å; F468-F503 HydrophobicContact CG-CE1 3.9Å; F468-F503 AromaticContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CD1 3.6Å; F468-F503 HydrophobicContact CZ-CE1 4.22Å; D499-F503 VanDerWaalsContact O-CB 3.3Å; D499-F503 WeakPolarHBondContact O-CB 3.26Å; D499-F503 PolarHBondContact O-N 2.92Å; F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 PolarHBondContact O-N 3.48Å; F503-S506 PolarHBondContact O-N 3.19Å; F503-W507 HydrophobicContact CE2-CB 4.47Å; F503-W507 HydrophobicContact CZ-CB 4.36Å; F503-W507 HydrophobicContact CZ-CG 4.47Å; F503-W507 WeakPolarHBondContact O-CA 3.35Å; F503-W507 WeakPolarHBondContact O-CB 3.2Å; F503-W507 PolarHBondContact O-N 3.3Å
504Y90.2Very high85.3Confident14 Ų1463.5 Ų63.56%0.05533%0.325CS..Hα-helixtrans-55.9-41.8173175.6-103.1000113L472 K477 F479 C500 I501 A502 K508 Y515L472-Y504 HydrophobicContact CD1-CD2 4.06Å; K477-Y504 VanDerWaalsContact CE-OH 3.27Å; K477-Y504 WeakPolarHBondContact CE-OH 3.16Å; K477-Y504 PolarHBondContact NZ-OH 3.21Å; K477-Y504 VanDerWaalsContact NZ-OH 3.12Å; F479-Y504 HydrophobicContact CE1-CG 4.17Å; F479-Y504 HydrophobicContact CZ-CD1 4.1Å; F479-Y504 HydrophobicContact CZ-CD2 4.28Å; F479-Y504 AromaticContact CZ-CG 3.84Å; F479-Y504 HydrophobicContact CZ-CG 3.84Å; C500-Y504 WeakPolarHBondContact O-CB 3.26Å; C500-Y504 PolarHBondContact O-N 3.36Å; I501-Y504 WeakPolarHBondContact O-CB 3.45Å; I501-Y504 PolarHBondContact O-N 3.45Å; A502-Y504 VanDerWaalsContact C-N 3.32Å; A502-Y504 PolarHBondContact O-N 3.45Å; Y504-K508 VanDerWaalsContact O-CB 3.27Å; Y504-K508 WeakPolarHBondContact O-CB 3.45Å; Y504-K508 PolarHBondContact O-N 3.3Å; Y504-Y515 HydrophobicContact CE2-CE2 4.45Å
505Y89.7Confident86.2Confident123 Ų12363.2 Ų63.248%0.48232%0.319SS..Hα-helixtrans-75.7-43179.3-74.4-72.5000112.2I501 A502 F503 K508 I509I501-Y505 HydrophobicContact CG2-CD2 4.14Å; I501-Y505 HydrophobicContact CG2-CE2 3.93Å; I501-Y505 WeakPolarHBondContact O-CD2 3.38Å; I501-Y505 PolarHBondContact O-N 2.81Å; A502-Y505 PolarHBondContact O-N 3.45Å; F503-Y505 VanDerWaalsContact C-N 3.29Å; F503-Y505 PolarHBondContact O-N 3.48Å; Y505-K508 PolarHBondContact O-N 2.93Å; Y505-I509 WeakPolarHBondContact O-CG1 3.35Å; Y505-I509 PolarHBondContact O-N 2.91Å; Y505-I509 VanDerWaalsContact O-N 3.16Å
506S83.7Confident86.4Confident22 Ų2268.1 Ų68.115%0.15434%0.342CS..Hα-helixtrans-65.7-42176.9-56.90000112D456 A502 F503 K508 I509 V510D456-S506 WeakPolarHBondContact OD1-CB 3.42Å; D456-S506 PolarHBondContact OD1-OG 3.32Å; A502-S506 PolarHBondContact O-N 3.08Å; A502-S506 PolarHBondContact O-OG 2.96Å; F503-S506 PolarHBondContact O-N 3.19Å; S506-K508 PolarHBondContact O-N 3.38Å; S506-I509 PolarHBondContact O-N 2.86Å; S506-I509 VanDerWaalsContact O-N 3.08Å; S506-V510 WeakPolarHBondContact O-CB 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.26Å; S506-V510 PolarHBondContact O-N 3.03Å
507W85.9Confident86.4Confident5 Ų568.2 Ų68.22%0.01935%0.346CS..Hα-helixtrans-57-45.1173.6-17962.4000112.5F468 E469 L472 F503 I509 F511 S514 Y515 F518F468-W507 HydrophobicContact CE1-CE3 4.09Å; F468-W507 HydrophobicContact CE1-CZ3 4.31Å; E469-W507 HydrophobicContact CG-CH2 4.25Å; E469-W507 HydrophobicContact CG-CZ2 4.32Å; L472-W507 HydrophobicContact CD1-CE3 4.48Å; L472-W507 HydrophobicContact CD1-CH2 4.44Å; L472-W507 HydrophobicContact CD1-CZ3 3.78Å; F503-W507 HydrophobicContact CE2-CB 4.47Å; F503-W507 HydrophobicContact CZ-CB 4.36Å; F503-W507 HydrophobicContact CZ-CG 4.47Å; F503-W507 WeakPolarHBondContact O-CA 3.35Å; F503-W507 WeakPolarHBondContact O-CB 3.2Å; F503-W507 PolarHBondContact O-N 3.3Å; W507-I509 VanDerWaalsContact C-N 3.28Å; W507-I509 PolarHBondContact O-N 3.45Å; W507-F511 AromaticContact CD1-CG 3.99Å; W507-F511 HydrophobicContact CG-CB 4.39Å; W507-F511 CarbonylContact O-C 3.57Å; W507-F511 WeakPolarHBondContact O-CA 3.43Å; W507-F511 WeakPolarHBondContact O-CB 3.32Å; W507-F511 PolarHBondContact O-N 2.96Å; W507-S514 WeakPolarHBondContact CZ2-OG 3.49Å; W507-S514 PolarHBondContact NE1-OG 2.89Å; W507-Y515 HydrophobicContact CD2-CD2 4.34Å; W507-Y515 AromaticContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CH2-CD2 4.43Å; W507-Y515 AromaticContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CE2 4.5Å; W507-F518 HydrophobicContact CH2-CB 3.49Å; W507-F518 VanDerWaalsContact CH2-CB 3.49Å; W507-F518 AromaticContact CH2-CD1 3.62Å; W507-F518 HydrophobicContact CH2-CD1 3.62Å; W507-F518 AromaticContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CE1 4.29Å; W507-F518 HydrophobicContact CH2-CE2 4.47Å; W507-F518 AromaticContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CZ2-CB 3.87Å; W507-F518 HydrophobicContact CZ2-CG 4.25Å; W507-F518 AromaticContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CE1 4.22Å; W507-F518 HydrophobicContact CZ3-CG 4.11Å
508K88.2Confident86.3Confident87 Ų8766.3 Ų66.338%0.37833%0.333SS..Hα-helixtrans-64.6-26.9175.9173.8-178169.4-1630113.7Y504 Y505 S506 Y515Y504-K508 VanDerWaalsContact O-CB 3.27Å; Y504-K508 WeakPolarHBondContact O-CB 3.45Å; Y504-K508 PolarHBondContact O-N 3.3Å; Y505-K508 PolarHBondContact O-N 2.93Å; S506-K508 PolarHBondContact O-N 3.38Å; K508-Y515 HydrophobicContact CB-CD2 4.04Å; K508-Y515 HydrophobicContact CB-CE2 4.07Å; K508-Y515 HydrophobicContact CB-CG 4.27Å; K508-Y515 HydrophobicContact CD-CE2 4.41Å; K508-Y515 HydrophobicContact CG-CD1 4.25Å; K508-Y515 HydrophobicContact CG-CD2 4.41Å; K508-Y515 HydrophobicContact CG-CE1 3.93Å; K508-Y515 HydrophobicContact CG-CE2 4.09Å; K508-Y515 HydrophobicContact CG-CG 4.48Å
509I84.6Confident86.3Confident113 Ų11368.4 Ų68.458%0.57933%0.327SS*.Hα-helixtrans-93.2-48.7-178.4-67.9167.8000111.7Y505 S506 W507 K512Y505-I509 WeakPolarHBondContact O-CG1 3.35Å; Y505-I509 PolarHBondContact O-N 2.91Å; Y505-I509 VanDerWaalsContact O-N 3.16Å; S506-I509 PolarHBondContact O-N 2.86Å; S506-I509 VanDerWaalsContact O-N 3.08Å; W507-I509 VanDerWaalsContact C-N 3.28Å; W507-I509 PolarHBondContact O-N 3.45Å; I509-K512 WeakPolarHBondContact O-CE 3.38Å; I509-K512 VanDerWaalsContact O-CG 3.29Å; I509-K512 WeakPolarHBondContact O-CG 3.42Å
510V78.1Confident86.3Confident72 Ų7270.4 Ų70.444%0.43634%0.336SS..THydrogen-bonded Turntrans-84.7-56.3-174.3179.40000110.4I413 S506 K512I413-V510 HydrophobicContact CD1-CG2 3.82Å; S506-V510 WeakPolarHBondContact O-CB 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.26Å; S506-V510 PolarHBondContact O-N 3.03Å; V510-K512 PolarHBondContact O-N 3.29Å
511F80.7Confident86.1Confident95 Ų9572.1 Ų72.142%0.41735%0.351SS..  trans-87.843.9-169.7-62.5-96.2000113M465 W507 R513 S514 Y515M465-F511 HydrophobicContact CE-CE1 4.2Å; M465-F511 HydrophobicContact CE-CZ 4.4Å; W507-F511 AromaticContact CD1-CG 3.99Å; W507-F511 HydrophobicContact CG-CB 4.39Å; W507-F511 CarbonylContact O-C 3.57Å; W507-F511 WeakPolarHBondContact O-CA 3.43Å; W507-F511 WeakPolarHBondContact O-CB 3.32Å; W507-F511 PolarHBondContact O-N 2.96Å; F511-R513 PolarHBondContact O-N 3.16Å; F511-S514 PolarHBondContact O-N 2.88Å; F511-Y515 PolarHBondContact O-N 3.28Å
512K84.9Confident85.9Confident145 Ų14570.8 Ų70.863%0.6334%0.342SS*.Hα-helixtrans-49.8-29.6-171.4-58.7-178.3-171.4176.30114.9I509 V510 H516I509-K512 WeakPolarHBondContact O-CE 3.38Å; I509-K512 VanDerWaalsContact O-CG 3.29Å; I509-K512 WeakPolarHBondContact O-CG 3.42Å; V510-K512 PolarHBondContact O-N 3.29Å; K512-H516 WeakPolarHBondContact O-CB 3.46Å; K512-H516 PolarHBondContact O-N 3.4Å; K512-H516 VanDerWaalsContact O-N 3.11Å
513R84.2Confident85.8Confident231 Ų23172 Ų7287%0.87234%0.34SS*.Hα-helixtrans-71.4-48.3175.8-71.3-176.9178.4171.60112.6F511 H516 A517F511-R513 PolarHBondContact O-N 3.16Å; R513-H516 PolarHBondContact O-N 3.49Å; R513-A517 PolarHBondContact O-N 3.33Å
514S83.8Confident85.7Confident40 Ų4080 Ų8028%0.2837%0.369SS..Hα-helixtrans-66.7-48.4177.4158.60000110.4W507 F511 H516 A517 F518W507-S514 WeakPolarHBondContact CZ2-OG 3.49Å; W507-S514 PolarHBondContact NE1-OG 2.89Å; F511-S514 PolarHBondContact O-N 2.88Å; S514-H516 PolarHBondContact O-N 2.93Å; S514-H516 VanDerWaalsContact O-N 3.16Å; S514-A517 CarbonylContact O-C 3.57Å; S514-A517 WeakPolarHBondContact O-CA 3.29Å; S514-A517 WeakPolarHBondContact O-CB 3.38Å; S514-A517 PolarHBondContact O-N 2.94Å; S514-F518 PolarHBondContact O-N 3.06Å
515Y87.5Confident85.3Confident42 Ų4285.2 Ų85.217%0.16539%0.389CS..Hα-helixtrans-57.5-33.6174178-100.4000113.3Y504 W507 K508 F511 F518 R519Y504-Y515 HydrophobicContact CE2-CE2 4.45Å; W507-Y515 HydrophobicContact CD2-CD2 4.34Å; W507-Y515 AromaticContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CE3-CD2 3.75Å; W507-Y515 HydrophobicContact CH2-CD2 4.43Å; W507-Y515 AromaticContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CD2 3.81Å; W507-Y515 HydrophobicContact CZ3-CE2 4.5Å; K508-Y515 HydrophobicContact CB-CD2 4.04Å; K508-Y515 HydrophobicContact CB-CE2 4.07Å; K508-Y515 HydrophobicContact CB-CG 4.27Å; K508-Y515 HydrophobicContact CD-CE2 4.41Å; K508-Y515 HydrophobicContact CG-CD1 4.25Å; K508-Y515 HydrophobicContact CG-CD2 4.41Å; K508-Y515 HydrophobicContact CG-CE1 3.93Å; K508-Y515 HydrophobicContact CG-CE2 4.09Å; K508-Y515 HydrophobicContact CG-CG 4.48Å; F511-Y515 PolarHBondContact O-N 3.28Å; Y515-F518 HydrophobicContact CD2-CD1 4.46Å; Y515-R519 HydrophobicContact CE1-CG 4.19Å; Y515-R519 WeakPolarHBondContact O-CB 3.38Å; Y515-R519 WeakPolarHBondContact O-CG 3.48Å; Y515-R519 PolarHBondContact O-N 2.8Å
516H87Confident84.8Confident111 Ų11182.9 Ų82.951%0.51438%0.382SS..Hα-helixtrans-70.6-40.9171.9-178.7-79.5000112.4K512 R513 S514 R519 M520K512-H516 WeakPolarHBondContact O-CB 3.46Å; K512-H516 PolarHBondContact O-N 3.4Å; K512-H516 VanDerWaalsContact O-N 3.11Å; R513-H516 PolarHBondContact O-N 3.49Å; S514-H516 PolarHBondContact O-N 2.93Å; S514-H516 VanDerWaalsContact O-N 3.16Å; H516-R519 PolarHBondContact O-N 2.86Å; H516-M520 WeakPolarHBondContact O-CG 3.4Å; H516-M520 PolarHBondContact O-N 3.42Å
517A86.9Confident84.6Confident53 Ų5389.3 Ų89.344%0.43841%0.408SS..Hα-helixtrans-61.3-51.3175.300000111.3R513 S514 R519 M520 A521R513-A517 PolarHBondContact O-N 3.33Å; S514-A517 CarbonylContact O-C 3.57Å; S514-A517 WeakPolarHBondContact O-CA 3.29Å; S514-A517 WeakPolarHBondContact O-CB 3.38Å; S514-A517 PolarHBondContact O-N 2.94Å; A517-R519 VanDerWaalsContact C-N 3.32Å; A517-R519 PolarHBondContact O-N 2.8Å; A517-M520 CarbonylContact O-C 3.44Å; A517-M520 WeakPolarHBondContact O-CA 3.45Å; A517-M520 WeakPolarHBondContact O-CB 3.3Å; A517-M520 PolarHBondContact O-N 3.33Å; A517-A521 PolarHBondContact O-N 3.38Å
518F87.1Confident84.3Confident12 Ų1294.7 Ų94.75%0.05344%0.436CS..Hα-helixtrans-49.2-50.1170.2167.6-105.9000111.9E469 L472 L473 W507 S514 Y515 M520 A521 K522E469-F518 HydrophobicContact CG-CB 4.37Å; E469-F518 HydrophobicContact CG-CD2 3.72Å; E469-F518 HydrophobicContact CG-CE2 4.5Å; E469-F518 HydrophobicContact CG-CG 4.43Å; E469-F518 WeakPolarHBondContact OE1-CA 3.29Å; E469-F518 WeakPolarHBondContact OE1-CB 3.13Å; L472-F518 HydrophobicContact CB-CE2 3.74Å; L472-F518 HydrophobicContact CB-CZ 3.79Å; L472-F518 HydrophobicContact CD1-CZ 4.42Å; L473-F518 HydrophobicContact CD2-CD2 3.8Å; L473-F518 HydrophobicContact CD2-CE2 3.62Å; L473-F518 HydrophobicContact CG-CD2 3.98Å; L473-F518 HydrophobicContact CG-CE2 3.77Å; W507-F518 HydrophobicContact CH2-CB 3.49Å; W507-F518 VanDerWaalsContact CH2-CB 3.49Å; W507-F518 AromaticContact CH2-CD1 3.62Å; W507-F518 HydrophobicContact CH2-CD1 3.62Å; W507-F518 AromaticContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CD2 3.86Å; W507-F518 HydrophobicContact CH2-CE1 4.29Å; W507-F518 HydrophobicContact CH2-CE2 4.47Å; W507-F518 AromaticContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CH2-CG 3.38Å; W507-F518 HydrophobicContact CZ2-CB 3.87Å; W507-F518 HydrophobicContact CZ2-CG 4.25Å; W507-F518 AromaticContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CD1 3.88Å; W507-F518 HydrophobicContact CZ3-CE1 4.22Å; W507-F518 HydrophobicContact CZ3-CG 4.11Å; S514-F518 PolarHBondContact O-N 3.06Å; Y515-F518 HydrophobicContact CD2-CD1 4.46Å; F518-M520 PolarHBondContact O-N 3.42Å; F518-A521 PolarHBondContact O-N 3.49Å; F518-A521 VanDerWaalsContact O-N 3.12Å; F518-K522 HydrophobicContact CZ-CD 4.44Å; F518-K522 WeakPolarHBondContact O-CB 3.5Å; F518-K522 PolarHBondContact O-N 2.82Å
519R88.1Confident83.5Confident110 Ų11096.3 Ų96.342%0.41545%0.445SS..Hα-helixtrans-59.1-31177-87.7-158.460.771.913.9113.3Y515 H516 A517 Q523Y515-R519 HydrophobicContact CE1-CG 4.19Å; Y515-R519 WeakPolarHBondContact O-CB 3.38Å; Y515-R519 WeakPolarHBondContact O-CG 3.48Å; Y515-R519 PolarHBondContact O-N 2.8Å; H516-R519 PolarHBondContact O-N 2.86Å; A517-R519 VanDerWaalsContact C-N 3.32Å; A517-R519 PolarHBondContact O-N 2.8Å; R519-Q523 WeakPolarHBondContact O-CB 3.37Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 3.27Å; R519-Q523 PolarHBondContact O-NE2 3.38Å
520M86.3Confident82.6Confident73 Ų7397.9 Ų97.936%0.3645%0.448SS..Hα-helixtrans-81.3-35.8175-64.1-58.4138.900112.2H516 A517 F518 Q523 R524H516-M520 WeakPolarHBondContact O-CG 3.4Å; H516-M520 PolarHBondContact O-N 3.42Å; A517-M520 CarbonylContact O-C 3.44Å; A517-M520 WeakPolarHBondContact O-CA 3.45Å; A517-M520 WeakPolarHBondContact O-CB 3.3Å; A517-M520 PolarHBondContact O-N 3.33Å; F518-M520 PolarHBondContact O-N 3.42Å; M520-Q523 PolarHBondContact O-N 3.42Å; M520-R524 WeakPolarHBondContact O-CB 3.2Å; M520-R524 VanDerWaalsContact O-CG 3.27Å; M520-R524 WeakPolarHBondContact O-CG 3.12Å; M520-R524 PolarHBondContact O-N 2.86Å
521A85.2Confident81.7Confident37 Ų3796.1 Ų96.131%0.30644%0.444SS..Hα-helixtrans-61.8-48.2173.200000111.1L473 A517 F518 R524 R525L473-A521 HydrophobicContact CD2-CB 4.44Å; A517-A521 PolarHBondContact O-N 3.38Å; F518-A521 PolarHBondContact O-N 3.49Å; F518-A521 VanDerWaalsContact O-N 3.12Å; A521-R524 WeakPolarHBondContact O-CB 3.44Å; A521-R524 PolarHBondContact O-N 3.48Å; A521-R524 VanDerWaalsContact O-N 3.15Å; A521-R525 PolarHBondContact O-N 3.03Å
522K86.4Confident80.6Confident36 Ų36100.4 Ų100.416%0.15746%0.458CS..Hα-helixtrans-57.9-51173.5175157.5177.2158.70112.5L473 D476 F518 R524 R525 E526L473-K522 HydrophobicContact CD2-CB 4.06Å; D476-K522 IonicContact OD1-NZ 2.71Å; D476-K522 PolarHBondContact OD1-NZ 2.95Å; D476-K522 IonicContact OD2-NZ 2.68Å; D476-K522 PolarHBondContact OD2-NZ 2.88Å; F518-K522 HydrophobicContact CZ-CD 4.44Å; F518-K522 WeakPolarHBondContact O-CB 3.5Å; F518-K522 PolarHBondContact O-N 2.82Å; K522-R524 PolarHBondContact O-N 3.39Å; K522-R525 PolarHBondContact O-N 2.94Å; K522-R525 VanDerWaalsContact O-N 3.09Å; K522-E526 WeakPolarHBondContact CE-OE1 3.41Å; K522-E526 HydrophobicContact CG-CG 4.24Å; K522-E526 VanDerWaalsContact CG-OE1 3.31Å; K522-E526 WeakPolarHBondContact CG-OE1 3.18Å; K522-E526 WeakPolarHBondContact O-CB 3.32Å; K522-E526 WeakPolarHBondContact O-CG 3.43Å; K522-E526 PolarHBondContact O-N 3.39Å
523Q84.8Confident79Confident76 Ų76100.1 Ų100.136%0.35546%0.462SS..Hα-helixtrans-59.7-30.6176.2-81.1169.894.500113.2R519 M520 E526 F527R519-Q523 WeakPolarHBondContact O-CB 3.37Å; R519-Q523 WeakPolarHBondContact O-CG 3.27Å; R519-Q523 PolarHBondContact O-N 3.27Å; R519-Q523 PolarHBondContact O-NE2 3.38Å; M520-Q523 PolarHBondContact O-N 3.42Å; Q523-E526 WeakPolarHBondContact CA-OE2 3.21Å; Q523-F527 WeakPolarHBondContact O-CB 3.5Å; Q523-F527 PolarHBondContact O-N 3.37Å
524R85.5Confident77.4Confident183 Ų18399.7 Ų99.769%0.69146%0.461SS*.Hα-helixtrans-71.3-44.5172.5-74.8169.6175.6-169.7-1.7112M520 A521 K522 F527 L528M520-R524 WeakPolarHBondContact O-CB 3.2Å; M520-R524 VanDerWaalsContact O-CG 3.27Å; M520-R524 WeakPolarHBondContact O-CG 3.12Å; M520-R524 PolarHBondContact O-N 2.86Å; A521-R524 WeakPolarHBondContact O-CB 3.44Å; A521-R524 PolarHBondContact O-N 3.48Å; A521-R524 VanDerWaalsContact O-N 3.15Å; K522-R524 PolarHBondContact O-N 3.39Å; R524-F527 PolarHBondContact O-N 3.14Å; R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 VanDerWaalsContact O-CG 3.29Å; R524-L528 WeakPolarHBondContact O-CG 3.46Å; R524-L528 PolarHBondContact O-N 2.9Å
525R82.4Confident75.3Confident124 Ų124102.3 Ų102.347%0.46848%0.479SS..Hα-helixtrans-61-48.6175.8177.7171.2163.2166.8-11.7111.2L473 A521 K522 F527 L528 Q529L473-R525 PolarHBondContact O-NH1 3.36Å; L473-R525 PolarHBondContact O-NH2 3.3Å; A521-R525 PolarHBondContact O-N 3.03Å; K522-R525 PolarHBondContact O-N 2.94Å; K522-R525 VanDerWaalsContact O-N 3.09Å; R525-F527 PolarHBondContact O-N 3.23Å; R525-L528 PolarHBondContact O-N 3.43Å; R525-Q529 WeakPolarHBondContact O-CB 3.34Å; R525-Q529 PolarHBondContact O-N 2.67Å
526E79.6Confident73.2Confident73 Ų73105.7 Ų105.734%0.34151%0.506SS..Hα-helixtrans-53.6-51.5171.7-70.1167.2175.100111K522 Q523 L528 Q529 F530K522-E526 WeakPolarHBondContact CE-OE1 3.41Å; K522-E526 HydrophobicContact CG-CG 4.24Å; K522-E526 VanDerWaalsContact CG-OE1 3.31Å; K522-E526 WeakPolarHBondContact CG-OE1 3.18Å; K522-E526 WeakPolarHBondContact O-CB 3.32Å; K522-E526 WeakPolarHBondContact O-CG 3.43Å; K522-E526 PolarHBondContact O-N 3.39Å; Q523-E526 WeakPolarHBondContact CA-OE2 3.21Å; E526-L528 PolarHBondContact O-N 3.07Å; E526-Q529 PolarHBondContact O-N 3.11Å; E526-F530 WeakPolarHBondContact O-CD2 3.36Å; E526-F530 PolarHBondContact O-N 3.05Å
527F79.5Confident71.1Confident158 Ų158105.5 Ų105.569%0.69352%0.523SS*.Hα-helixtrans-64.4-36.8-178.9-176.6-94.5000113.4Q523 R524 R525 G531Q523-F527 WeakPolarHBondContact O-CB 3.5Å; Q523-F527 PolarHBondContact O-N 3.37Å; R524-F527 PolarHBondContact O-N 3.14Å; R525-F527 PolarHBondContact O-N 3.23Å; F527-G531 WeakPolarHBondContact O-CA 3.29Å; F527-G531 PolarHBondContact O-N 3.28Å
528L79.4Confident69.2Low117 Ų117108.1 Ų108.161%0.61354%0.539SS*.Hα-helixtrans-70.3-36.2175.5-71.8168.8000111.9R524 R525 E526 G531 R532R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 VanDerWaalsContact O-CG 3.29Å; R524-L528 WeakPolarHBondContact O-CG 3.46Å; R524-L528 PolarHBondContact O-N 2.9Å; R525-L528 PolarHBondContact O-N 3.43Å; E526-L528 PolarHBondContact O-N 3.07Å; L528-G531 PolarHBondContact O-N 2.77Å; L528-R532 PolarHBondContact O-N 3.14Å
529Q71.7Confident67.2Low122 Ų122110.9 Ų110.957%0.5756%0.559SS**Hα-helixtrans-65.6-50.5175.1-168172.89.700111.1R525 E526 G531 R532 L533R525-Q529 WeakPolarHBondContact O-CB 3.34Å; R525-Q529 PolarHBondContact O-N 2.67Å; E526-Q529 PolarHBondContact O-N 3.11Å; Q529-G531 VanDerWaalsContact C-N 3.27Å; Q529-G531 PolarHBondContact O-N 3.48Å; Q529-R532 PolarHBondContact O-N 3.4Å; Q529-L533 WeakPolarHBondContact O-CG 3.21Å; Q529-L533 PolarHBondContact O-N 3.42Å
530F65.5Low65.1Low146 Ų146114.6 Ų114.664%0.6459%0.588SS**Hα-helixtrans-67.8-25173.1-71-62.7000113.5E526 L533E526-F530 WeakPolarHBondContact O-CD2 3.36Å; E526-F530 PolarHBondContact O-N 3.05Å; F530-L533 HydrophobicContact CD1-CD1 4.39Å
531G58.9Low62.8Low34 Ų34113.5 Ų113.535%0.35160%0.595SS.*Hα-helixtrans-70.5-44.9174.700000112.6F527 L528 Q529 L533 R534 S535F527-G531 WeakPolarHBondContact O-CA 3.29Å; F527-G531 PolarHBondContact O-N 3.28Å; L528-G531 PolarHBondContact O-N 2.77Å; Q529-G531 VanDerWaalsContact C-N 3.27Å; Q529-G531 PolarHBondContact O-N 3.48Å; G531-L533 VanDerWaalsContact C-N 3.29Å; G531-L533 PolarHBondContact O-N 2.94Å; G531-R534 PolarHBondContact O-N 3.01Å; G531-S535 PolarHBondContact O-N 3.1Å
532R57.7Low60.5Low186 Ų186117.5 Ų117.570%0.70262%0.615SS**Hα-helixtrans-61.2-37.2173.3-78-172.6175.2-174.50.2112L528 Q529 R534L528-R532 PolarHBondContact O-N 3.14Å; Q529-R532 PolarHBondContact O-N 3.4Å; R532-R534 PolarHBondContact O-N 2.99Å; R532-R534 VanDerWaalsContact O-N 3.1Å
533L51.9Low58.1Low139 Ų139124.2 Ų124.273%0.72865%0.647SS**THydrogen-bonded Turntrans-691.5173.2-66.9172.9000114.6Q529 F530 G531Q529-L533 WeakPolarHBondContact O-CG 3.21Å; Q529-L533 PolarHBondContact O-N 3.42Å; F530-L533 HydrophobicContact CD1-CD1 4.39Å; G531-L533 VanDerWaalsContact C-N 3.29Å; G531-L533 PolarHBondContact O-N 2.94Å
534R50.8Low55.5Low222 Ų222126.2 Ų126.284%0.83867%0.669SS**THydrogen-bonded Turntrans-135.18-176.7-147.6-175.9-178.1173.14.2115G531 R532G531-R534 PolarHBondContact O-N 3.01Å; R532-R534 PolarHBondContact O-N 2.99Å; R532-R534 VanDerWaalsContact O-N 3.1Å
535S39.4Very low53.4Low94 Ų94123.8 Ų123.866%0.65767%0.674SS**  trans-84.7119.5168.1-165.10000108.8G531G531-S535 PolarHBondContact O-N 3.1Å
536P43.9Very low51.2Low113 Ų113121.4 Ų121.473%0.73468%0.682SS**  trans-64138.7169.428.5-33.1000109.2S538P536-S538 PolarHBondContact O-N 3.4Å; P536-S538 VanDerWaalsContact O-N 3.14Å
537A43.2Very low48.9Very low107 Ų107124.6 Ų124.688%0.88471%0.706SS**  trans-74.8102175.300000109.1S539A537-S539 PolarHBondContact O-N 3.43Å; A537-S539 VanDerWaalsContact O-N 3.09Å
538S45.6Very low47Very low108 Ų108123.1 Ų123.176%0.75570%0.704SS**  trans-77.798.9-177.2-145.10000111.1P536P536-S538 PolarHBondContact O-N 3.4Å; P536-S538 VanDerWaalsContact O-N 3.14Å
539S46.1Very low44.8Very low70 Ų70123.5 Ų123.549%0.4971%0.711SS.*  43.6102.3125.2640000118.7A537 G541A537-S539 PolarHBondContact O-N 3.43Å; A537-S539 VanDerWaalsContact O-N 3.09Å; S539-G541 VanDerWaalsContact C-N 3.35Å; S539-G541 WeakPolarHBondContact CB-O 3.44Å; S539-G541 PolarHBondContact O-N 3.18Å
540N43.2Very low43.4Very low189 Ų189128.2 Ų128.2100%1.01172%0.724SS**SBendtrans-77.995.3132-91.6-16.2000107
541G38.2Very low41.8Very low49 Ų49126 Ų12651%0.50573%0.727SS.*SBendtrans148.4110.4-178.800000113.6S539S539-G541 VanDerWaalsContact C-N 3.35Å; S539-G541 WeakPolarHBondContact CB-O 3.44Å; S539-G541 PolarHBondContact O-N 3.18Å
542V36.3Very low40.7Very low122 Ų122135.6 Ų135.674%0.73975%0.752SS**SBendtrans70.6105160.2-167.70000117.6
543Q35.7Very low39.8Very low177 Ų177135.8 Ų135.883%0.82776%0.761SS**  trans67114.7149.7-63.417546.200121.7
544S31.8Very low38.9Very low117 Ų117134.6 Ų134.682%0.81876%0.759SS**  trans69.3155.9143.6-124.60000117.3
545V40.9Very low38.1Very low132 Ų132132.8 Ų132.880%0.875%0.752SS**  cis-133.4153.318.9178.40000111.1
546A35.1Very low37.8Very low75 Ų75135.8 Ų135.862%0.6276%0.756SS**  trans-56145.6-175.900000116.3I548A546-I548 HydrophobicContact CB-CG1 4.33Å; A546-I548 PolarHBondContact O-N 3.46Å
547V32.1Very low37.2Very low140 Ų140136.8 Ų136.885%0.84875%0.745SS**  trans-65.4116.6162.4176.60000109.1
548I40.3Very low36.8Very low126 Ų126140.3 Ų140.365%0.64674%0.74SS**  trans-125.7108.2174.1-60.2-178.6000110.4A546 R550A546-I548 HydrophobicContact CB-CG1 4.33Å; A546-I548 PolarHBondContact O-N 3.46Å; I548-R550 PolarHBondContact O-N 3.13Å
549T33Very low36.5Very low126 Ų126146 Ų14677%0.77375%0.745SS**  trans-80.3104.9170.941.60000111.2
550R41.2Very low36Very low221 Ų221145.5 Ų145.583%0.83475%0.745SS**  trans-152.6134.1159.5-85.5113.5-170.3-121.74.9107.8I548I548-R550 PolarHBondContact O-N 3.13Å
551S32.8Very low36Very low100 Ų100140.8 Ų140.870%0.69972%0.723SS**  cis86.996.640.2-164.70000114.8
552R35.8Very low35.9Very low235 Ų235141 Ų14189%0.88772%0.72SS**  trans67.7167.3155.9-65.1-177.7168.2-170-2.6119.7
553Q38.7Very low36Very low189 Ų189140.2 Ų140.288%0.88372%0.718SS**  trans76.6155.6172.3-59.1177.2-16.400118.8
554V32Very low36.2Very low114 Ų114138 Ų13869%0.69172%0.716SS**  177.1130.3-83.8158.30000109.9
555R34.6Very low36.6Very low185 Ų185136 Ų13670%0.69871%0.707SS**  trans68.1166.1168.6-67.7163.4-161.6-1775.6116
556Q33.8Very low36.5Very low156 Ų156137 Ų13773%0.72971%0.708SS**  cis-155.4133.2-5.3-120.5169.9-23.700109.3
557W30.6Very low36.5Very low134 Ų134144.9 Ų144.951%0.50872%0.722SS.*  81.1149.489-85.175000122.1R594W557-R594 HydrophobicContact CH2-CB 4.32Å; W557-R594 HydrophobicContact CH2-CG 3.87Å; W557-R594 HydrophobicContact CZ2-CB 4.13Å; W557-R594 HydrophobicContact CZ2-CG 4.09Å
558K34.7Very low36.6Very low181 Ų181142.6 Ų142.679%0.78771%0.708SS**  trans74.7158.8166.1-66.7179.5-179.7-179.10117.6
559R39.9Very low36.4Very low228 Ų228144.7 Ų144.786%0.8671%0.712SS**  cis-126.6155.66.6-97129.4177.7179.1-0110.4
560A35.9Very low36.5Very low59 Ų59147.4 Ų147.449%0.48871%0.714SS.*  73.1146.867.400000114
561V42.8Very low36Very low90 Ų90141 Ų14155%0.54570%0.696SS.*  cis-153.5143.334.5178.80000108.5
562A35.9Very low35.9Very low54 Ų54146.4 Ų146.445%0.44670%0.7SS.*  64.716171.400000115.9H609A562-H609 HydrophobicContact CB-CB 4.3Å
563P38.8Very low35.6Very low106 Ų106138.8 Ų138.869%0.68869%0.688SS**  cis-144.1-168.215.343.8-22.5000118.3
564T40.6Very low35.4Very low129 Ų129137.1 Ų137.179%0.79168%0.683SS**  trans65.5146.1156.9440000121.6
565A39.1Very low35.3Very low76 Ų76136.9 Ų136.963%0.62869%0.687SS**  cis-153.9137.4-10.900000115.1
566N38.1Very low35.1Very low153 Ų153131.2 Ų131.282%0.81868%0.68SS**  trans28.3122.5139.2-51.3-18.4000123.2
567R35.6Very low34.9Very low241 Ų241132.8 Ų132.891%0.90969%0.687SS**  -155.574.8120.9-154161.2-177.4170.9-1.1115.1
568T34.4Very low34.9Very low91 Ų91129.6 Ų129.656%0.55870%0.696SS**  48131.1127620000124
569K36.8Very low34.6Very low170 Ų170128.1 Ų128.174%0.73969%0.692SS**  trans67.6132.3147.7-57.9158-172.8176.90114.8I571K569-I571 HydrophobicContact CB-CD1 4.16Å; K569-I571 HydrophobicContact CG-CD1 4.1Å
570F33.7Very low34.2Very low184 Ų184126.3 Ų126.381%0.80769%0.686SS**  cis-115.2152.136.3-95.5-121.6000113.4
571I32.2Very low33.8Very low87 Ų87130.1 Ų130.145%0.44670%0.698SS.*  cis76.4123.642.4-64.6169.3000110.7K569K569-I571 HydrophobicContact CB-CD1 4.16Å; K569-I571 HydrophobicContact CG-CD1 4.1Å
572R30.3Very low33.2Very low212 Ų212132.9 Ų132.980%0.871%0.71SS**  cis-145.7163.14-122.1165.8-158.3126.2-1.5110.1
573A28.9Very low33.1Very low76 Ų76136.6 Ų136.663%0.62873%0.727SS**  34.2135.310700000115
574I34.5Very low32.7Very low153 Ų153139.4 Ų139.479%0.78573%0.729SS**  -149.3138.651.1-69.5137.8000107.7A576I574-A576 VanDerWaalsContact CG2-O 3.29Å; I574-A576 WeakPolarHBondContact CG2-O 3.01Å
575S29.7Very low32.2Very low109 Ų109140 Ų14076%0.76272%0.721SS**  cis76.683.49.9-1570000117.3
576A31.2Very low32.1Very low67 Ų67140.4 Ų140.455%0.55472%0.717SS**  trans68.6163.9170.100000115.2I574I574-A576 VanDerWaalsContact CG2-O 3.29Å; I574-A576 WeakPolarHBondContact CG2-O 3.01Å
577E30Very low31.6Very low188 Ų188141.3 Ų141.388%0.87972%0.716SS**  cis-118.1173.8-2.6-56.7-63.4160.900109
578G30.2Very low31.5Very low67 Ų67139.6 Ų139.669%0.69172%0.715SS**  cis-149.8-156.3-6.600000108
579E28.1Very low31.5Very low151 Ų151140.8 Ų140.871%0.70673%0.725SS**  cis-164.71754.5-160.8175.314500107.8
580Y31Very low31.3Very low190 Ų190138.3 Ų138.375%0.74573%0.726SS**  trans77.1117.6173.1-62.8-78.5000120.3
581D28.4Very low31.3Very low138 Ų138134.6 Ų134.674%0.73871%0.714SS**  trans-70.1-169.6174.7-58-89.4000115.4
582N29.8Very low31.1Very low148 Ų148138 Ų13879%0.79173%0.726SS**  trans82.9133169.4-44.7-72.9000113.5
583V34.8Very low31.1Very low132 Ų132137.3 Ų137.380%0.873%0.729SS**  cis-141.4155.115.1177.20000111.2
584F28.8Very low31.5Very low165 Ų165140.5 Ų140.572%0.72472%0.724SS**  trans-11.1153.3147-110.1-141000117.5
585F30.7Very low31.8Very low142 Ų142137.9 Ų137.962%0.62372%0.715SS**  cis-174.4179.67.8-142.9-146.7000109.3
586P36.3Very low32Very low85 Ų85138.8 Ų138.855%0.55271%0.706SS**  cis-123.8146.7-48.131.7-15.9000115.2
587Q28.9Very low32.4Very low171 Ų171145.3 Ų145.380%0.79972%0.718SS**  trans42.8117.5136.6-51.7-177.618.800122.3
588K33.3Very low33Very low206 Ų206145.3 Ų145.390%0.89672%0.715SS**  trans-154.8148.1135.1-109.9150.6-171.9165.20111.3
589P34.3Very low33.7Very low116 Ų116149.3 Ų149.375%0.75372%0.719SS**  trans-84.6159.8-154.9-15.233000116.7
590P32.5Very low34.3Very low117 Ų117151.2 Ų151.276%0.7673%0.725SS**  trans-89.7131.5-16734.1-35000114.6
591L33.5Very low34.8Very low107 Ų107146 Ų14656%0.5672%0.716SS**  trans-140.689176.4-72.3177.4000115.5
592F28.4Very low35.5Very low158 Ų158151.2 Ų151.269%0.69373%0.725SS**  trans53.770.6145.9-68.4-81.9000120.3R594F592-R594 PolarHBondContact O-N 2.73Å
593F30.2Very low36.2Very low198 Ų198149.2 Ų149.287%0.86872%0.723SS**  trans-75.6100.8154.6-64.7-71.4000111V595F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 HydrophobicContact CB-CG2 4.32Å; F593-V595 PolarHBondContact O-N 3.3Å
594R36.6Very low36.7Very low142 Ų142147.1 Ų147.154%0.53672%0.719SS.*  trans-81.665.7-179.8-164.7-170.6-169.2161.7-2.7112.2W557 F592 F596W557-R594 HydrophobicContact CH2-CB 4.32Å; W557-R594 HydrophobicContact CH2-CG 3.87Å; W557-R594 HydrophobicContact CZ2-CB 4.13Å; W557-R594 HydrophobicContact CZ2-CG 4.09Å; F592-R594 PolarHBondContact O-N 2.73Å; R594-F596 HydrophobicContact CG-CE2 4.17Å; R594-F596 HydrophobicContact CG-CZ 4.4Å; R594-F596 PolarHBondContact O-N 2.64Å
595V40.5Very low37.5Very low98 Ų98146.7 Ų146.759%0.59472%0.719SS**  trans-69.5118.6-180-174.40000110.6F593 Y597F593-V595 VanDerWaalsContact C-N 3.28Å; F593-V595 HydrophobicContact CB-CG2 4.32Å; F593-V595 PolarHBondContact O-N 3.3Å; V595-Y597 HydrophobicContact CG1-CD2 3.86Å; V595-Y597 HydrophobicContact CG1-CE2 3.6Å
596F35.4Very low37.9Very low129 Ų129148 Ų14857%0.56673%0.73SS**  trans-99.297171.9-79-63.6000110.8R594 K598R594-F596 HydrophobicContact CG-CE2 4.17Å; R594-F596 HydrophobicContact CG-CZ 4.4Å; R594-F596 PolarHBondContact O-N 2.64Å; F596-K598 PolarHBondContact O-N 2.81Å
597Y38.1Very low38.9Very low204 Ų204149.2 Ų149.280%0.873%0.726SS**  trans-68.8116.5167.4-79.7-77.9000110.6V595 I599V595-Y597 HydrophobicContact CG1-CD2 3.86Å; V595-Y597 HydrophobicContact CG1-CE2 3.6Å; Y597-I599 PolarHBondContact O-N 2.79Å
598K43.7Very low39.9Very low188 Ų188147.6 Ų147.682%0.81772%0.721SS**  trans-91.773.7-177.8-170175.5-178.4175.10110.7F596 K600F596-K598 PolarHBondContact O-N 2.81Å; K598-K600 PolarHBondContact O-N 3.16Å
599I43.8Very low40.9Very low151 Ų151142.2 Ų142.277%0.77470%0.699SS**  trans-64.3114.8173.8-58.2176.4000108.6Y597 S601Y597-I599 PolarHBondContact O-N 2.79Å; I599-S601 PolarHBondContact O-N 2.77Å
600K41.9Very low41.7Very low191 Ų191146.9 Ų146.983%0.8370%0.704SS**  trans-88.186.4173.4-82.4-173.9171.4-176.40110.1K598K598-K600 PolarHBondContact O-N 3.16Å
601S41Very low42.6Very low81 Ų81151.7 Ų151.757%0.56671%0.707SS**  trans-76.3153.6151.853.10000109.4I599 S603I599-S601 PolarHBondContact O-N 2.77Å; S601-S603 PolarHBondContact OG-O 2.95Å
602R43.8Very low43Very low247 Ų247155.7 Ų155.793%0.93274%0.743SS**SBendtrans-83.8-7.4-175.1-116.7177.3177167.7-2.5114.6
603S42.9Very low43.7Very low105 Ų105155.6 Ų155.673%0.73475%0.746SS**SBendtrans-151.7154.5174.8-170.70000110.4S601S601-S603 PolarHBondContact OG-O 2.95Å
604A47Very low44.4Very low88 Ų88153.3 Ų153.373%0.72774%0.739SS**  trans56.3133.5-179.600000117.7
605H45Very low44.9Very low156 Ų156153.9 Ų153.972%0.72275%0.75SS**  trans-120.4106.7173.5164.5-74.9000109.2
606M39.1Very low45.1Very low171 Ų171157.2 Ų157.284%0.84276%0.76SS**  trans-112.2132.7178.3-162.991.48000110
607K56.9Low45.7Very low109 Ų109159 Ų15947%0.47477%0.772SS.*  trans-143.197.3-174-162.7173.2-161.31590111.4
608I49.9Very low46.2Very low137 Ų137156 Ų15670%0.70377%0.77SS**  trans-72133.8-176.5-57.7173.8000109.9Y610I608-Y610 HydrophobicContact CG2-CD2 3.97Å; I608-Y610 HydrophobicContact CG2-CE2 3.78Å
609H55.4Low46.4Very low94 Ų94153.7 Ų153.744%0.43577%0.767SS.*  trans-120106.6173.4-84.1-82.2000109.3A562A562-H609 HydrophobicContact CB-CB 4.3Å
610Y49.7Very low46.6Very low214 Ų214153.9 Ų153.984%0.83977%0.766SS**  trans-73140.5166.6-77.6-94.6000110.1I608I608-Y610 HydrophobicContact CG2-CD2 3.97Å; I608-Y610 HydrophobicContact CG2-CE2 3.78Å
611R52.1Low47Very low218 Ų218150.8 Ų150.882%0.82376%0.761SS**  trans-96.5129.7159.8-89.4-171.6177-175.30.4108.4
612S41.5Very low47.6Very low190 Ų190157.2 Ų157.2100%1.32978%0.778SS**  trans-122.30146.960.60000104.8

Retrieved 612 of 612 residues in 273.6 ms (Link to these results)