A0A5K4F131_SCHMA Loading...

SWR1-complex protein 4

AlphaFold DB , UniProt , Accession A0A5K4F131, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 468 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
1M42Very low47.1Very low249 Ų249155.4 Ų155.4100%1.22784%0.84SS**  099.40-61.2-175.594.600107.6
2S48.7Very low46.9Very low123 Ų123153.9 Ų153.986%0.8683%0.832SS**  trans-156.4115.6175.3-171.30000107.9
3T49.7Very low47.4Very low143 Ų143154 Ų15488%0.87783%0.831SS**  trans-90.2102.4-177.247.50000109.4
4G52.3Low47.3Very low72 Ų72152.4 Ų152.474%0.74283%0.833SS**PPolyproline II helixtrans-84.2126.4172.300000111.4
5R46.8Very low47.4Very low237 Ų237148.1 Ų148.189%0.89483%0.826SS**PPolyproline II helixtrans-76.7124.1171.6-70-178-177.7-158.80.4109.5
6L52.8Low47.3Very low153 Ų153149.4 Ų149.480%0.80183%0.831SS**PPolyproline II helixtrans-77.1127.1165.4-102.196.2000109.9
7F46Very low47.5Very low193 Ų193151.1 Ų151.185%0.84683%0.831SS**PPolyproline II helixtrans-98.4116.8159.1-95.9-90.5000107.1
8D47.7Very low47.6Very low147 Ų147153.4 Ų153.479%0.78684%0.835SS**PPolyproline II helixtrans-84.7128.6171.3-90.3-25.1000110.5
9H49.9Very low47.9Very low152 Ų152153.1 Ų153.170%0.70483%0.832SS**  trans-130.9124.4176.7-115.19.1000109.6
10F39.6Very low48.2Very low164 Ų164151.4 Ų151.472%0.71983%0.832SS**  trans67.6128.1152.9-64.1-78.8000120.8
11G43.3Very low48.4Very low76 Ų76149.7 Ų149.778%0.78483%0.826SS**  trans-143.694.4152.300000107.4
12D44.7Very low49Very low138 Ų138142.8 Ų142.874%0.73879%0.794SS**  trans-68121.8168.2-64.2-48.3000108.5
13N53.3Low49.1Very low155 Ų155144.3 Ų144.383%0.82979%0.786SS**  trans-125.3122.1167.9-95-15.5000109
14P45.9Very low49.6Very low132 Ų132144 Ų14486%0.85777%0.774SS**  trans-89.1100.9168.433.3-24.8000108.2
15A48.9Very low49.8Very low87 Ų87147 Ų14772%0.71977%0.767SS**  trans-153.261.9170.900000109.8Q17A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.48Å; A15-Q17 VanDerWaalsContact O-N 3.16Å
16D45.4Very low50.1Low170 Ų170144.1 Ų144.191%0.90976%0.761SS**  trans-77.783.5162.1-72.5-29.3000107.6
17Q51Low50.4Low178 Ų178144 Ų14483%0.83276%0.757SS**  trans-108.5107.2156-106.7174.3-12.800106.4A15 D19A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.48Å; A15-Q17 VanDerWaalsContact O-N 3.16Å; Q17-D19 VanDerWaalsContact C-N 3.31Å; Q17-D19 PolarHBondContact O-N 3.31Å
18E49.2Very low50.8Low192 Ų192142.8 Ų142.890%0.89775%0.754SS**  trans-68.885.6178-63.4-165.116400110.1S20E18-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact O-N 3.14Å
19D52.6Low51Low148 Ų148144.6 Ų144.679%0.79176%0.757SS**  trans-72.8103.4161.7-80.3-18000108.3Q17 V21Q17-D19 VanDerWaalsContact C-N 3.31Å; Q17-D19 PolarHBondContact O-N 3.31Å; D19-V21 PolarHBondContact O-N 3.33Å
20S54.5Low51.1Low119 Ų119148.3 Ų148.383%0.83277%0.765SS**  trans-59.891.6173.2171.60000110.3E18 D22E18-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact O-N 3.14Å; S20-D22 PolarHBondContact O-N 3.47Å
21V53.4Low51.7Low115 Ų115149.3 Ų149.370%0.69777%0.772SS**  trans-74.5120175.8-172.30000110D19 F23D19-V21 PolarHBondContact O-N 3.33Å; V21-F23 WeakPolarHBondContact O-CD2 3.18Å; V21-F23 PolarHBondContact O-N 2.7Å
22D54.6Low52Low104 Ų104151.2 Ų151.256%0.55677%0.773SS**  trans-62123.9-178.9-128.9-23.9000112S20 E24 R233S20-D22 PolarHBondContact O-N 3.47Å; D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.03Å; D22-R233 IonicContact OD1-NH2 2.66Å
23F49.7Very low52.2Low156 Ų156151.3 Ų151.368%0.68477%0.772SS**  trans-89.516.6-179.4-80.6-82.7000113.5V21 F25V21-F23 WeakPolarHBondContact O-CD2 3.18Å; V21-F23 PolarHBondContact O-N 2.7Å; F23-F25 PolarHBondContact O-N 3.31Å
24E59.7Low51.7Low135 Ų135148.1 Ų148.163%0.63176%0.759SS**G310 helixtrans-62.7-7.8178.4-69.6-166.2157.500114.1D22 F26 E27D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.03Å; E24-F26 VanDerWaalsContact C-N 3.25Å; E24-F26 PolarHBondContact O-N 2.87Å; E24-F26 VanDerWaalsContact O-N 3.12Å; E24-E27 PolarHBondContact O-N 2.69Å
25F57.7Low51.9Low135 Ų135149.6 Ų149.659%0.59276%0.755SS**G310 helixtrans-65.1-14.6-176.3-167.2-97.9000116F23 K323F23-F25 PolarHBondContact O-N 3.31Å; F25-K323 VanDerWaalsContact CE1-NZ 3.27Å
26F53.2Low51.8Low178 Ų178150.3 Ų150.378%0.78176%0.755SS**G310 helixtrans-115.62.3-177.4-74.7-77.4000115.3E24E24-F26 VanDerWaalsContact C-N 3.25Å; E24-F26 PolarHBondContact O-N 2.87Å; E24-F26 VanDerWaalsContact O-N 3.12Å
27E57.5Low51.8Low151 Ų151149 Ų14971%0.70675%0.747SS**  trans-101.2-7.3-174.8-124.695.5-140.800114.2E24 H29E24-E27 PolarHBondContact O-N 2.69Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.66Å
28E54.6Low51.6Low167 Ų167148.8 Ų148.878%0.7874%0.743SS**THydrogen-bonded Turntrans-78.714.3-165-147.5-17416500117.1
29H53.1Low51.3Low185 Ų185148.5 Ų148.586%0.85674%0.739SS**THydrogen-bonded Turntrans-133.626.6-179.8-68.3-33.6000115.4E27E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.66Å
30R51.2Low50.6Low230 Ų230148.5 Ų148.587%0.86874%0.739SS**SBendtrans-96103.6163.4-71.5-167.9-179.9-110.7-2.4109.9S32R30-S32 PolarHBondContact O-N 3.01Å
31E52.8Low49.8Very low185 Ų185149.9 Ų149.986%0.86474%0.737SS**  trans-27.3116.6167.6-73.2168147.700112I33E31-I33 PolarHBondContact O-N 3.08Å
32S49.5Very low49Very low115 Ų115152.2 Ų152.280%0.80475%0.746SS**  trans-49.8106.7167.337.50000109.5R30R30-S32 PolarHBondContact O-N 3.01Å
33I47.8Very low48.4Very low141 Ų141153.4 Ų153.472%0.72375%0.751SS**  trans-58.8123.9162.3-62.1173.1000105.9E31 E35E31-I33 PolarHBondContact O-N 3.08Å; I33-E35 PolarHBondContact O-N 3.36Å
34P44.4Very low47.9Very low87 Ų87152.3 Ų152.357%0.56575%0.752SS**  trans-55.9132-177.819.5-29.9000110.3S36P34-S36 PolarHBondContact O-N 2.81Å
35E49.4Very low46.7Very low163 Ų163156.8 Ų156.876%0.76276%0.764SS**G310 helixtrans-64.65.7-172.1-148.3157.9-150.600114.1I33 L37I33-E35 PolarHBondContact O-N 3.36Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.12Å
36S46.8Very low45.8Very low102 Ų102158.2 Ų158.271%0.71377%0.773SS**G310 helixtrans-83.33.9178.258.10000115P34P34-S36 PolarHBondContact O-N 2.81Å
37L45.2Very low44.8Very low142 Ų142157.1 Ų157.174%0.74378%0.776SS**G310 helixtrans-116.511176.9-74.7168.2000114.6E35 K39E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.12Å; L37-K39 PolarHBondContact O-N 3.15Å
38K45.9Very low43.8Very low175 Ų175157.7 Ų157.776%0.76178%0.783SS**  trans-96.639.5178.2-78.1-177.2179.1172.50114.3
39K43.4Very low42.7Very low185 Ų185157.2 Ų157.280%0.80479%0.786SS**  trans-121.9135.6166.1-73.6-179.8179.8176.60107.8L37L37-K39 PolarHBondContact O-N 3.15Å
40N38.3Very low41.8Very low149 Ų149153.5 Ų153.580%0.79778%0.781SS**  trans91.378.9177.3-36-17.6000113
41N37.8Very low41.1Very low148 Ų148150.2 Ų150.279%0.79178%0.78SS**  trans-167.555.8144.7-85.8-21.8000109.5
42N37.4Very low40.1Very low164 Ų164149.2 Ų149.288%0.87778%0.78SS**  trans-88.993.9152.8-104.1-3.2000105.6
43I41.4Very low39.5Very low129 Ų129150 Ų15066%0.66278%0.78SS**  trans-122.598.9166.9-55.6179.2000106.7Y45I43-Y45 PolarHBondContact O-N 3Å
44N38.9Very low38.9Very low132 Ų132152.3 Ų152.371%0.70679%0.785SS**  trans-52.2120.5164.8-72.8-19.6000109.1E46N44-E46 PolarHBondContact O-N 3.39Å; N44-E46 VanDerWaalsContact O-N 3.16Å
45Y33.9Very low38.6Very low229 Ų229151.9 Ų151.990%0.89879%0.789SS**  trans-82.278.5160.9-78.9-83.2000108.2I43I43-Y45 PolarHBondContact O-N 3Å
46E39.2Very low38.2Very low166 Ų166151.3 Ų151.378%0.77679%0.791SS**  trans-102125.2160.8-78.8-168.7158.500109.6N44 N48N44-E46 PolarHBondContact O-N 3.39Å; N44-E46 VanDerWaalsContact O-N 3.16Å; E46-N48 PolarHBondContact O-N 2.97Å
47N33.1Very low37.6Very low155 Ų155153 Ų15383%0.82980%0.797SS**  trans-27.1127161.2-77.5-38.5000112.8
48N36.3Very low37.3Very low163 Ų163155.1 Ų155.187%0.87280%0.8SS**  trans-156.5103143.1-86.2-40.4000110.1E46E46-N48 PolarHBondContact O-N 2.97Å
49N31.6Very low36.8Very low157 Ų157152.7 Ų152.784%0.8480%0.801SS**  trans-58.7157.7156.4-85.9-30.5000110.1
50S34.3Very low36.5Very low106 Ų106152.3 Ų152.374%0.74180%0.799SS**  trans76.297.9170.574.60000115.8
51N36.5Very low36.4Very low161 Ų161150.9 Ų150.986%0.86180%0.796SS**  trans-147.199.9136.3-94.2-36.1000109.9V53N51-V53 PolarHBondContact O-N 3.39Å
52L30.8Very low36.5Very low164 Ų164150 Ų15086%0.85980%0.795SS**  trans-70.1103.4171-165.584.7000107.8
53V37.2Very low36.7Very low133 Ų133150.9 Ų150.981%0.80679%0.791SS**  trans-110.8111.3169.4178.30000108.9N51N51-V53 PolarHBondContact O-N 3.39Å
54K34.1Very low36.6Very low188 Ų188154.1 Ų154.182%0.81780%0.804SS**  trans-58.8128.3172.2-66.9167.2175.5175.10110.2
55A39.7Very low36.9Very low79 Ų79157.5 Ų157.565%0.65381%0.812SS**  trans-156.4102.4152.400000111.6
56N40Very low37.2Very low151 Ų151155.3 Ų155.381%0.80781%0.81SS**  77.192.8129.6-48.3-10.9000118.6
57T33.6Very low37Very low137 Ų137155.4 Ų155.484%0.8481%0.81SS**  trans-16.3118.4146.852.40000116.4
58K40.5Very low37.3Very low186 Ų186155 Ų15581%0.80981%0.808SS**  trans-143.599.8149.5-139.8171.8-172.5177.90110F60K58-F60 PolarHBondContact O-N 3.35Å
59T34.8Very low37.6Very low125 Ų125154 Ų15477%0.76780%0.803SS**  trans-62.1119.2173.9-46.50000109.8V61T59-V61 HydrophobicContact CG2-CG2 4.25Å
60F37.8Very low37.9Very low177 Ų177153.2 Ų153.278%0.77680%0.798SS**  trans-109108.7160.4-91.6-84.2000108.4K58 V62K58-F60 PolarHBondContact O-N 3.35Å; F60-V62 PolarHBondContact O-N 2.92Å
61V36.1Very low38.1Very low119 Ų119157.5 Ų157.572%0.72180%0.799SS**  trans-73.3111.7165.4174.30000106.7T59T59-V61 HydrophobicContact CG2-CG2 4.25Å
62V39.2Very low38.5Very low130 Ų130157.5 Ų157.579%0.78879%0.794SS**  trans-114.4114.1163.9177.90000106.9F60F60-V62 PolarHBondContact O-N 2.92Å
63K42.8Very low38.7Very low182 Ų182159.3 Ų159.379%0.79179%0.789SS**  trans-59.6128.8179.2-73.7176.4172.5-179.70110.3K65K63-K65 PolarHBondContact O-N 3.33Å
64Q37.8Very low39Very low197 Ų197160.6 Ų160.692%0.92179%0.792SS**  trans-56128.7154.1-86.3170.5-40.200108.9
65K46.4Very low39.5Very low202 Ų202158.1 Ų158.188%0.87878%0.783SS**  trans-115.2131.8153.8-91.9-171171.7-171.50107.2K63K63-K65 PolarHBondContact O-N 3.33Å
66Q39.4Very low39.6Very low184 Ų184160.5 Ų160.586%0.8679%0.785SS**  trans-60.6154.9179.5-78.8166.6-77.700112.8
67E35.2Very low39.7Very low167 Ų167160.6 Ų160.678%0.7879%0.785SS**  trans-38.6141.7164.6-63.5154.1154.700113.2
68D39Very low40Very low146 Ų146161.9 Ų161.978%0.78179%0.787SS**  178.4153.8108.4-82-27.8000108.8
69D42.9Very low40.3Very low143 Ų143161.1 Ų161.177%0.76579%0.79SS**  trans102.9102.8165.4-60.8-20.8000119.7
70L38.6Very low40.5Very low140 Ų140162.5 Ų162.573%0.73379%0.793SS**  90.3107.4128.1-65.9160.1000119.2
71Y37.4Very low40.9Very low196 Ų196161.9 Ų161.977%0.76980%0.798SS**  trans21.7135.7136.7-63.6-97.9000117.9
72Q45.8Very low41.4Very low161 Ų161164.8 Ų164.875%0.75280%0.804SS**  cis-166.6136.649-133.9108.51800109.2
73R34.8Very low41.6Very low202 Ų202163.5 Ų163.576%0.76280%0.796SS**  trans-76.4124.8169.4179.1-170.6-80.1160.1-7.2108.7E75R73-E75 HydrophobicContact CG-CG 4.13Å
74N42.1Very low41.6Very low160 Ų160163.7 Ų163.786%0.85679%0.793SS**  trans-122.398.3159.2-74.6-25.7000106.8
75E45.7Very low41.8Very low136 Ų136161.9 Ų161.964%0.63678%0.784SS**  trans-87.1146.5163.8-81.3173.1-178.200108.6R73R73-E75 HydrophobicContact CG-CG 4.13Å
76D41.6Very low41.6Very low129 Ų129156.5 Ų156.569%0.6977%0.772SS**  trans71.5106.1147.7-54.7-17.6000117.7
77L41.4Very low41.7Very low154 Ų154153.2 Ų153.281%0.80677%0.765SS**  60.5105.493.1-73.5170.2000111.2
78D41.7Very low42.4Very low164 Ų164152 Ų15288%0.87776%0.759SS**  trans-150.2129.1142.5-99.2-30.3000113.1
79L44.9Very low43Very low170 Ų170152.5 Ų152.589%0.8976%0.757SS**  trans-75.5118.6171-75.8154.4000108D81L79-D81 PolarHBondContact O-N 2.89Å
80N39.6Very low43.3Very low153 Ų153152.8 Ų152.882%0.81875%0.754SS**  trans-83.9107.8162.5-76.8-31.3000108.7
81D47.3Very low43.8Very low165 Ų165153.6 Ų153.688%0.88275%0.754SS**  trans-133.495.5145.2-88-25.9000107.3L79L79-D81 PolarHBondContact O-N 2.89Å
82E45.2Very low44.5Very low180 Ų180151.1 Ų151.184%0.84175%0.749SS**  trans18.2116.6143-76.4-167.9-168.700119.8
83T44Very low44.5Very low102 Ų102148.5 Ų148.563%0.62674%0.74SS**  116.3116.4112.7-68.90000119.2
84Y42.1Very low45.1Very low187 Ų187147.6 Ų147.673%0.73374%0.742SS**  trans103.4110.1149-76.1-45.9000123
85H43.7Very low45.2Very low159 Ų159147.6 Ų147.674%0.73673%0.734SS**  trans58.3135.6133.1-67.6-41.6000119.9
86S41.5Very low45.3Very low89 Ų89147.5 Ų147.562%0.62273%0.734SS**  cis-168148.52.3-82.50000108.1
87T41.7Very low45.5Very low115 Ų115147.9 Ų147.971%0.70673%0.729SS**  trans33.2144.7142.666.40000121
88E49.8Very low45.6Very low142 Ų142147.3 Ų147.366%0.66472%0.722SS**  cis-170.3145.537-120.2136.6-117.900108.3
89E51Low45.9Very low155 Ų155146.3 Ų146.372%0.72472%0.717SS**  trans59.1138.8136-62.7173.1-171.900119.8
90E49.6Very low46.3Very low150 Ų150145.5 Ų145.570%0.70171%0.709SS**  cis-170.3144.215.5-118.7170.1-173.100108.1
91E49.8Very low46.9Very low157 Ų157143.7 Ų143.773%0.73470%0.699SS**  43.1140.1129.4-67-168.517200121.1
92E50.7Low46.5Very low143 Ų143142.5 Ų142.567%0.66869%0.693SS**  cis-175.5149.220.1-119.8-171.3155.600110.9
93N45.8Very low46.1Very low106 Ų106141.2 Ų141.257%0.56769%0.691SS**  trans56109.7140.5-62.2-32000122.3
94K48.7Very low46Very low184 Ų184141.5 Ų141.580%0.869%0.692SS**  67.8124.183.4-74.7179.6-178.1170.40114.8
95K44.5Very low45.9Very low159 Ų159140.9 Ų140.969%0.69170%0.696SS**  155.8132.783.6-136.8177.4168.6-176.70111.9
96E45.9Very low45.8Very low135 Ų135138.8 Ų138.863%0.63170%0.699SS**  trans60.3147.4137.6-78.4170.9-16000120
97K46.9Very low45.8Very low136 Ų136140.3 Ų140.359%0.59171%0.707SS**  cis-171.913724.2-119.4161176.7-83.80107.2
98E43.3Very low45.6Very low143 Ų143138.5 Ų138.567%0.66870%0.704SS**  79.5153.5104.7-78.3176.4-175.900116.3
99D48.1Very low44.9Very low143 Ų143141 Ų14177%0.76571%0.713SS**  trans94135.6170-49.5-15.7000116.5
100E53.5Low44.3Very low152 Ų152143 Ų14371%0.7172%0.722SS**  cis-179.9156.8-25.7-128-171.9-157.900105.4
101N51.2Low43.7Very low116 Ų116145 Ų14562%0.6273%0.728SS**  trans85.6104.9149.5-57.5-31000122.6
102N40.1Very low43.7Very low140 Ų140142.8 Ų142.875%0.74973%0.727SS**  60.5127.9117.3-64-32.6000120.7
103L36.8Very low43.2Very low152 Ų152142.2 Ų142.280%0.79673%0.733SS**  159.1118.893-157.272.8000110.8
104V40.5Very low43Very low109 Ų109144 Ų14466%0.66174%0.743SS**  trans49.6125.7131.4-170.90000117.3
105E40.1Very low42.6Very low174 Ų174142.3 Ų142.381%0.81374%0.743SS**  177.2150.469.3-145.7151.4-150.900109.8
106S41.6Very low42.4Very low115 Ų115139.1 Ų139.180%0.80474%0.74SS**  trans-138.7143.2163.2-62.90000107.5
107P42Very low42.5Very low120 Ų120138.2 Ų138.278%0.77974%0.74SS**  -154.1142.1113.931.2-10.1000113.7
108A36.9Very low42.2Very low78 Ų78139.9 Ų139.965%0.64574%0.742SS**  89.9129.571.100000116.6
109F35.2Very low42.1Very low193 Ų193142.8 Ų142.885%0.84675%0.747SS**  trans70.8121.7155.5-62.1-76.6000122.6
110H38.8Very low41.9Very low198 Ų198141.7 Ų141.792%0.91774%0.741SS**  -167.9126.3120.9-101.1-73.7000112.4
111K37.2Very low41.6Very low193 Ų193140.7 Ų140.784%0.83974%0.738SS**  trans-114.6-176.4157.4-109.3-176.5-176.1-178.30105.5
112P49.6Very low41.1Very low110 Ų110141.4 Ų141.471%0.71474%0.742SS**  cis-132.3-163.8-23.632.6-10.6000111.5
113V41.2Very low41Very low130 Ų130144.4 Ų144.479%0.78875%0.748SS**  trans159139.6130.2165.60000112.4
114N40.3Very low41Very low145 Ų145141.6 Ų141.678%0.77575%0.747SS**  trans-81.3170.1-179.2-62.5-46.5000113.2
115D40.8Very low40.8Very low148 Ų148142 Ų14279%0.79175%0.75SS**  trans177108.6132-89-15000108.6
116S41.5Very low40.6Very low91 Ų91140.3 Ų140.364%0.63675%0.751SS**  59.3118.196.8630000115
117D46.1Very low41.1Very low117 Ų117143.7 Ų143.763%0.62675%0.751SS**  166.3131.6100.1-107.7-12.3000114.5
118R40.8Very low41Very low170 Ų170144.3 Ų144.364%0.64275%0.748SS**  76.9120.9127.8-74.3170.7-179.3-171.5-8.4123.5
119R42.8Very low41.7Very low204 Ų204148.7 Ų148.777%0.7776%0.758SS**  79.3147.8126.5-68.9-179.4-68.4-174.6-3.9117.3
120N42.8Very low42.3Very low120 Ų120145.6 Ų145.664%0.64275%0.751SS**  cis-179.6165-17.7-163.3-7.9000105.7
121M48.1Very low42.8Very low132 Ų132142.6 Ų142.665%0.6574%0.742SS**  trans97.9104155.7-50.2-50.3178.800121.1
122N40.1Very low43.2Very low130 Ų130139.8 Ų139.870%0.69574%0.736SS**  60120.3115.3-54-18.9000119.6
123K38.6Very low43.2Very low204 Ų204141 Ų14189%0.88774%0.735SS**  105.2140.461-165.2174.7-170.5179.30109.5
124A36.1Very low43.8Very low92 Ų92139.9 Ų139.976%0.7673%0.728SS**  trans108.7144.1167.900000114.8
125V37.1Very low44.3Very low119 Ų119137.6 Ų137.672%0.72172%0.724SS**  cis-168136.1-81370000103.2K127V125-K127 HydrophobicContact CG1-CG 4.38Å
126V36.1Very low44.8Very low138 Ų138136 Ų13684%0.83672%0.715SS**  trans-95.8135.8169172.20000107.3
127K50.8Low45.3Very low186 Ų186138.1 Ų138.181%0.80972%0.72SS**  trans-114136.4170.2-85.7-174.1174.3-175.50109.3V125V125-K127 HydrophobicContact CG1-CG 4.38Å
128D41.2Very low45.7Very low133 Ų133138.5 Ų138.571%0.71172%0.722SS**  trans-63.3165.4174.4-45-63.3000112.6
129I50.2Low46.2Very low169 Ų169135.6 Ų135.687%0.86772%0.719SS**  trans-163123.8133.4-89.5143.8000108.4
130D47.3Very low46.9Very low128 Ų128133.1 Ų133.168%0.68471%0.714SS**  trans-73167.2175.5-58.7-61.7000114.1
131N49.3Very low47.4Very low136 Ų136134.8 Ų134.873%0.72772%0.718SS**  157.1112.2125.3-79.1-15.5000109.1
132D45.5Very low47.1Very low134 Ų134135.8 Ų135.872%0.71772%0.721SS**  74.4138.681.5-85.44.5000111.6
133L50.8Low47.3Very low135 Ų135134.2 Ų134.271%0.70772%0.72SS**  cis-180148.6-0.3-115.5173.8000107
134V54.3Low47.5Very low106 Ų106131 Ų13164%0.64272%0.717SS**  trans53.8139.6150-133.80000124.5
135S49.8Very low47.5Very low97 Ų97132 Ų13268%0.67872%0.718SS**  109.7140.2129.6-70.40000115.8
136D50.6Low47.7Very low115 Ų115131.4 Ų131.462%0.61572%0.719SS**  cis175.7151.4-17.7-96.5-32.5000103.5
137D53.1Low48.5Very low136 Ų136129.5 Ų129.573%0.72771%0.71SS**  trans62.8147.5150.7-55.2-16.8000119.1
138D54.2Low48Very low125 Ų125127.7 Ų127.767%0.66871%0.709SS**  cis-171.3155.9-4.5-110.7-28.2000107.4
139D51.8Low48.3Very low109 Ų109129.8 Ų129.858%0.58372%0.715SS**  trans72.9121.6137.9-77.4-13.5000125.5
140K57.1Low47.8Very low152 Ų152129 Ų12966%0.66171%0.711SS**  89.5113.6122.1-74.8-175.5-179.3115.40120.2
141E53Low47.6Very low155 Ų155127.4 Ų127.472%0.72471%0.71SS**  89.5147.3101.1-66.4-102.2176.700110.8
142E42.9Very low47.3Very low153 Ų153128.1 Ų128.172%0.71571%0.714SS**  cis-174.3150.4-21.6-162.9-170.2-155.300102.7
143S43.6Very low47Very low97 Ų97129.8 Ų129.868%0.67872%0.721SS**  trans69.3149.5153.975.80000118.1
144V42.1Very low46.6Very low135 Ų135135.1 Ų135.182%0.81873%0.731SS**  cis-168.7152.76.6-116.50000109.5
145S36.6Very low45.7Very low114 Ų114140.9 Ų140.980%0.79774%0.742SS**  trans79.296140.6-158.70000123.2
146S41.4Very low45.6Very low106 Ų106142 Ų14274%0.74175%0.749SS**  -7.5178.4126.4-113.60000121.4
147P53.4Low45.1Very low99 Ų99145.7 Ų145.764%0.64376%0.76SS**  cis-141.1178.6-42.731.6-10.1000113.2
148D39.2Very low44.4Very low148 Ų148143.8 Ų143.879%0.79176%0.757SS**  164.9159.1127.8-87-21.2000114.2
149E47.2Very low43.8Very low176 Ų176146.8 Ų146.882%0.82276%0.764SS**  trans107.276164.1-56.6-165.8169.800119.9
150I41.5Very low43Very low152 Ų152150.9 Ų150.978%0.77978%0.779SS**  44.5108.4108.5-50.4158.5000118
151S43Very low42.3Very low95 Ų95149.9 Ų149.966%0.66479%0.786SS**  145.7145.5109.261.30000116.1
152N43.3Very low41.5Very low152 Ų152149.2 Ų149.281%0.81379%0.793SS**  trans95.176.9151.9-55.5-35.4000119.5
153I37.4Very low41.4Very low169 Ų169147.1 Ų147.187%0.86780%0.795SS**  trans-80.5122.6153.9-65.4170.7000109.4
154R42.3Very low41.2Very low246 Ų246153.3 Ų153.393%0.92880%0.803SS**  trans-110.4111162.7-145.6177.8-167.2-173.94109.3
155R35.9Very low41.1Very low228 Ų228153.8 Ų153.886%0.8680%0.801SS**  trans-64.1133.3171.8-101.6173.4176.2164.60.6111.1
156S48.9Very low41.2Very low119 Ų119153.4 Ų153.483%0.83280%0.799SS**  trans-142.8124.2142.649.90000110.3
157K40.2Very low41.4Very low194 Ų194154 Ų15484%0.84380%0.8SS**  trans-69.1149.7172.8-58.3173175.4177.70108.9
158S38.1Very low40.4Very low95 Ų95156 Ų15666%0.66480%0.803SS**  trans172.4114.8131.11730000113.8
159K41.8Very low40.9Very low189 Ų189161 Ų16182%0.82281%0.811SS**  trans65.7121.6131.8-58.2174.9-175.2176.20120.6
160H35Very low40.4Very low194 Ų194161.1 Ų161.190%0.89881%0.812SS**  trans-26129.7151-68-89.1000114.9
161V42.3Very low40.7Very low132 Ų132159.2 Ų159.280%0.881%0.812SS**  trans-151.1116.6142.1179.30000108.5
162T35.2Very low40.7Very low141 Ų141160.2 Ų160.287%0.86582%0.816SS**  trans-63.4131160.941.10000110.2
163S41.8Very low40.8Very low109 Ų109158.5 Ų158.576%0.76281%0.807SS**  trans-153.1105.5168.7177.70000110.5
164R37.6Very low41.3Very low227 Ų227157.6 Ų157.686%0.85780%0.797SS**  trans-67135.7155.7-73.4174.3165161.8-4.9107.3
165N41.2Very low41.3Very low145 Ų145152.2 Ų152.278%0.77579%0.787SS**  trans166.1121.9130.6-80-20.2000113.3
166S38.6Very low41.6Very low106 Ų106147.8 Ų147.874%0.74178%0.78SS**  trans76.9158.5132.4-61.40000119.5
167P45.2Very low41.5Very low119 Ų119149.9 Ų149.977%0.77378%0.782SS**  cis-137.6151.621.137.1-16.3000119
168I33.4Very low41.6Very low139 Ų139149.5 Ų149.571%0.71378%0.783SS**  trans-50.4135.7158.6-71.8160.1000111.6Q170I168-Q170 HydrophobicContact CG2-CG 3.77Å
169R48.1Very low41.6Very low253 Ų253154.3 Ų154.396%0.95579%0.792SS**  trans-114.6115.4152-85.8-174.8172.1-115.40.7108.6
170Q37.6Very low41.8Very low179 Ų179154.4 Ų154.484%0.83679%0.793SS**  trans-83.8145.6167.1-69.3172.5-17.500109.4I168I168-Q170 HydrophobicContact CG2-CG 3.77Å
171S48.7Very low42Very low113 Ų113153.9 Ų153.979%0.7979%0.791SS**  trans-143.3134.1144.364.90000109.3
172P43Very low41.7Very low115 Ų115153.8 Ų153.875%0.74779%0.79SS**  trans-95.3176.2-174.138.7-34.6000112.8
173D44.1Very low42Very low117 Ų117157.4 Ų157.463%0.62679%0.788SS**  trans112.6106.7150.2-83.4-9000120
174K48.3Very low41.8Very low150 Ų150158.3 Ų158.365%0.65279%0.791SS**  97.6101.6121.3-71.6168.9-177.3149.10120.1
175N42.6Very low41.6Very low133 Ų133150.4 Ų150.471%0.71177%0.771SS**  84113.7118.7-59.5-4.6000120.3
176N42.3Very low41.5Very low135 Ų135153 Ų15372%0.72278%0.775SS**  trans56.7108.4132.3-62.3-8000118.6
177N46.4Very low41.5Very low163 Ų163154.6 Ų154.687%0.87277%0.771SS**  -175.2137.795.6-89.7-37.5000112.1
178Q42.3Very low41Very low186 Ų186153.8 Ų153.887%0.86977%0.769SS**  trans-73.3137-174.2-60174.1-2.200111.9
179K38.9Very low41.6Very low195 Ų195153.7 Ų153.785%0.84877%0.774SS**  trans155.3109.2134.7-90.2169.7176.7175.40109.3
180K45.8Very low41.1Very low192 Ų192145.9 Ų145.984%0.83576%0.759SS**  trans170.5125.3131.5-92.1160.8-174.2-175.20112.6
181Q39.1Very low41.1Very low183 Ų183143.6 Ų143.686%0.85575%0.752SS**  trans59.197.2139.9-69.4179.81.200119.3R183Q181-R183 PolarHBondContact O-N 3.07Å
182T36Very low40.7Very low129 Ų129145.9 Ų145.979%0.79176%0.755SS**  trans-75105.4167.4-31.50000110
183R41.1Very low40.7Very low217 Ų217146.8 Ų146.882%0.81975%0.753SS**  trans-47.6158.2148.3-82.5175.4162.8-178-5.4109.8Q181 S185Q181-R183 PolarHBondContact O-N 3.07Å; R183-S185 PolarHBondContact O-N 3.36Å
184P37.5Very low40.9Very low128 Ų128147.5 Ų147.583%0.83176%0.756SS**  trans-66.784.6164.529.8-30.3000107.8F186P184-F186 PolarHBondContact O-N 2.86Å
185S34Very low40.7Very low61 Ų61150.3 Ų150.343%0.42776%0.764SS.*  trans-67.4117.5171.3161.10000105.9R183 H187R183-S185 PolarHBondContact O-N 3.36Å; S185-H187 PolarHBondContact O-CD2 3.19Å; S185-H187 PolarHBondContact O-N 3.39Å; S185-H187 PolarHBondContact OG-CE1 3.05Å; S185-H187 PolarHBondContact OG-ND1 2.86Å
186F37.8Very low40.9Very low199 Ų199149 Ų14987%0.87376%0.756SS**  trans-57.290.3159.4-68.5-86.5000107P184 S188P184-F186 PolarHBondContact O-N 2.86Å; F186-S188 PolarHBondContact O-N 2.87Å
187H38.3Very low41.1Very low140 Ų140148.2 Ų148.265%0.64876%0.757SS**  trans-69.485.9164.8-60.7-62000105.8S185 T189S185-H187 PolarHBondContact O-CD2 3.19Å; S185-H187 PolarHBondContact O-N 3.39Å; S185-H187 PolarHBondContact OG-CE1 3.05Å; S185-H187 PolarHBondContact OG-ND1 2.86Å; H187-T189 PolarHBondContact O-N 3.2Å
188S34.8Very low41Very low103 Ų103146.1 Ų146.172%0.7275%0.745SS**  trans-50.694.6145.2-68.50000106F186 S190F186-S188 PolarHBondContact O-N 2.87Å; S188-S190 PolarHBondContact O-N 2.93Å
189T46Very low41.2Very low136 Ų136145 Ų14583%0.83475%0.746SS**  trans-72.874.216551.80000106.5H187 N191H187-T189 PolarHBondContact O-N 3.2Å; T189-N191 PolarHBondContact O-N 2.87Å
190S37.5Very low41.9Very low89 Ų89144.1 Ų144.162%0.62274%0.744SS**  trans-67116.5162.6530000107.9S188S188-S190 PolarHBondContact O-N 2.93Å
191N37.6Very low42.6Very low131 Ų131140.9 Ų140.970%0.70174%0.744SS**SBendtrans49.579.4138.9-58.4-37.2000116.9T189T189-N191 PolarHBondContact O-N 2.87Å
192L40.8Very low43.8Very low162 Ų162137.6 Ų137.685%0.84873%0.732SS**  trans-168.793.7141.6-135.370.3000107.8
193D42.7Very low45.9Very low134 Ų134135.8 Ų135.872%0.71772%0.717SS**  trans-177.334.7152-85.7-17000110.3Y195D193-Y195 PolarHBondContact O-N 3.18Å; D193-Y195 VanDerWaalsContact O-N 3.15Å
194I49Very low47.9Very low131 Ų131131.1 Ų131.167%0.67271%0.712SS**THydrogen-bonded Turntrans-70.3-7.7179.4-65.4174.1000111.5
195Y43.1Very low50.2Low210 Ų210127.4 Ų127.482%0.82469%0.693SS**THydrogen-bonded Turntrans-14660.1175-63.4-81.1000111.6D193D193-Y195 PolarHBondContact O-N 3.18Å; D193-Y195 VanDerWaalsContact O-N 3.15Å
196N47.3Very low52.7Low104 Ų104130.7 Ų130.756%0.55670%0.701SS**  trans-110.380.7159-162.44000109.1N198N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact O-N 2.98Å; N196-N198 PolarHBondContact OD1-ND2 3.27Å
197V46.6Very low55.1Low120 Ų120125 Ų12573%0.72768%0.679SS**  trans-7875.2178.3-1760000107.7
198N45.7Very low57.5Low118 Ų118120.1 Ų120.163%0.63166%0.663SS**  trans-140.680.6175.1-74.8-46.2000110.2N196 E200N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact O-N 2.98Å; N196-N198 PolarHBondContact OD1-ND2 3.27Å; N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 3.46Å
199N45.6Very low60Low164 Ų164120 Ų12088%0.87765%0.654SS**  trans44.731.5140-64.5-9.3000120.9C201N199-C201 PolarHBondContact O-N 2.98Å
200E54.3Low62Low175 Ų175116.1 Ų116.182%0.81864%0.636SS**  trans-89.7103.1159.4-70.8-175.4-178.500107.6N198 I202N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 3.46Å; E200-I202 VanDerWaalsContact C-N 3.28Å; E200-I202 PolarHBondContact O-N 3.34Å
201C59.2Low64.4Low124 Ų124116.7 Ų116.784%0.83863%0.631SS**  trans-55.898.4169.651.60000107.9N199 N203N199-C201 PolarHBondContact O-N 2.98Å; C201-N203 PolarHBondContact O-N 3.14Å
202I65.9Low66.7Low115 Ų115116.7 Ų116.759%0.5963%0.625SS**  trans-61.1108176-52.8174.3000105.1E200 V204 I207E200-I202 VanDerWaalsContact C-N 3.28Å; E200-I202 PolarHBondContact O-N 3.34Å; I202-V204 PolarHBondContact O-N 3.3Å; I202-I207 HydrophobicContact CB-CD1 3.99Å; I202-I207 HydrophobicContact CB-CG1 4.36Å; I202-I207 HydrophobicContact CG2-CD1 3.59Å; I202-I207 HydrophobicContact CG2-CG1 3.41Å; I202-I207 VanDerWaalsContact CG2-CG1 3.41Å
203N79.3Confident68.7Low91 Ų91111.3 Ų111.349%0.48760%0.601SS.*  trans-59126.5-175.2-175.7-27.6000107.7C201 A205 Q206 I207C201-N203 PolarHBondContact O-N 3.14Å; N203-A205 PolarHBondContact O-N 3.33Å; N203-A205 WeakPolarHBondContact OD1-CB 3.28Å; N203-A205 PolarHBondContact OD1-N 3.27Å; N203-Q206 HydrophobicContact CB-CG 4.13Å; N203-Q206 WeakPolarHBondContact O-CA 3.16Å; N203-Q206 WeakPolarHBondContact O-CB 3.49Å; N203-Q206 PolarHBondContact O-N 3.47Å; N203-I207 PolarHBondContact O-N 3.05Å
204V83Confident70.6Confident118 Ų118110.2 Ų110.272%0.71559%0.59SS**Hα-helixtrans-50.7-33.5-179.21790000111I202 I207 A208I202-V204 PolarHBondContact O-N 3.3Å; V204-I207 PolarHBondContact O-N 2.77Å; V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.37Å
205A85Confident71.9Confident51 Ų51108.5 Ų108.542%0.42158%0.582SS.*Hα-helixtrans-63.3-40.9174.700000113.2N203 A208 D209N203-A205 PolarHBondContact O-N 3.33Å; N203-A205 WeakPolarHBondContact OD1-CB 3.28Å; N203-A205 PolarHBondContact OD1-N 3.27Å; A205-A208 PolarHBondContact O-N 3.15Å; A205-D209 WeakPolarHBondContact O-CB 3.21Å; A205-D209 PolarHBondContact O-N 3.45Å
206Q87.4Confident73.5Confident130 Ų130105.6 Ų105.661%0.60757%0.574SS**Hα-helixtrans-67.3-38.8178.1-68.2178.52.300111.6N203 D209 A210N203-Q206 HydrophobicContact CB-CG 4.13Å; N203-Q206 WeakPolarHBondContact O-CA 3.16Å; N203-Q206 WeakPolarHBondContact O-CB 3.49Å; N203-Q206 PolarHBondContact O-N 3.47Å; Q206-D209 PolarHBondContact O-N 3.38Å; Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3Å
207I87.8Confident74.7Confident78 Ų78107.1 Ų107.140%0.458%0.576SS.*Hα-helixtrans-64.3-45.7173.7-63.8167.8000110I202 N203 V204 D209 A210 L211I202-I207 HydrophobicContact CB-CD1 3.99Å; I202-I207 HydrophobicContact CB-CG1 4.36Å; I202-I207 HydrophobicContact CG2-CD1 3.59Å; I202-I207 HydrophobicContact CG2-CG1 3.41Å; I202-I207 VanDerWaalsContact CG2-CG1 3.41Å; N203-I207 PolarHBondContact O-N 3.05Å; V204-I207 PolarHBondContact O-N 2.77Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 3.33Å; I207-A210 PolarHBondContact O-N 2.93Å; I207-L211 HydrophobicContact CG2-CD1 3.97Å; I207-L211 HydrophobicContact CG2-CG 4.36Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.4Å; I207-L211 PolarHBondContact O-N 3.46Å
208A88.1Confident75.8Confident38 Ų38104.1 Ų104.131%0.31456%0.555SS.*Hα-helixtrans-61.7-40.7178.900000112.2V204 A205 K212V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.37Å; A205-A208 PolarHBondContact O-N 3.15Å; A208-K212 WeakPolarHBondContact O-CB 3.26Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 2.86Å
209D88.1Confident76.6Confident101 Ų101105.5 Ų105.554%0.5456%0.557SS.*Hα-helixtrans-70.8-38.6176.6-75.8-16.5000112.1A205 Q206 I207 K212 S213A205-D209 WeakPolarHBondContact O-CB 3.21Å; A205-D209 PolarHBondContact O-N 3.45Å; Q206-D209 PolarHBondContact O-N 3.38Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 3.33Å; D209-K212 PolarHBondContact O-N 2.9Å; D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 2.99Å; D209-S213 PolarHBondContact O-N 3.46Å
210A87.7Confident77.5Confident54 Ų54108.5 Ų108.545%0.44656%0.556SS.*Hα-helixtrans-59.8-47.517300000110.8Q206 I207 S213 F214Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3Å; I207-A210 PolarHBondContact O-N 2.93Å; A210-S213 PolarHBondContact O-N 3.3Å; A210-S213 PolarHBondContact O-OG 3.4Å; A210-F214 VanDerWaalsContact O-CB 3.3Å; A210-F214 WeakPolarHBondContact O-CB 3.39Å; A210-F214 PolarHBondContact O-N 2.83Å
211L87.7Confident77.8Confident101 Ų101105.5 Ų105.553%0.52955%0.545SS..Hα-helixtrans-64-44.7177.1-70.5174.2000112.3I207 S213 F214 D215I207-L211 HydrophobicContact CG2-CD1 3.97Å; I207-L211 HydrophobicContact CG2-CG 4.36Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.4Å; I207-L211 PolarHBondContact O-N 3.46Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.26Å; L211-F214 WeakPolarHBondContact O-CB 3.37Å; L211-F214 PolarHBondContact O-N 3.43Å; L211-F214 VanDerWaalsContact O-N 3.11Å; L211-D215 PolarHBondContact O-N 3.41Å
212K85.6Confident77.8Confident131 Ų131105.8 Ų105.857%0.5753%0.534SS*.Hα-helixtrans-61.2-36.5174.3-77.6173.7-176.91710112.5A208 D209 K216A208-K212 WeakPolarHBondContact O-CB 3.26Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 2.86Å; D209-K212 PolarHBondContact O-N 2.9Å; K212-K216 VanDerWaalsContact O-CG 3.29Å; K212-K216 WeakPolarHBondContact O-CG 3.37Å; K212-K216 PolarHBondContact O-N 3.28Å
213S83.8Confident77.4Confident49 Ų49106.1 Ų106.134%0.34354%0.536SS..Hα-helixtrans-72.5-33.1175.884.70000112D209 A210 L211 K217D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 2.99Å; D209-S213 PolarHBondContact O-N 3.46Å; A210-S213 PolarHBondContact O-N 3.3Å; A210-S213 PolarHBondContact O-OG 3.4Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.26Å; S213-K217 WeakPolarHBondContact O-CG 3.47Å; S213-K217 PolarHBondContact O-N 3.47Å; S213-K217 VanDerWaalsContact O-N 3.14Å
214F82.5Confident76.5Confident112 Ų112105.9 Ų105.949%0.49153%0.528SS..Hα-helixtrans-69.3-47.2178-177.1-108.5000111.2A210 L211 K216 K217 I218A210-F214 VanDerWaalsContact O-CB 3.3Å; A210-F214 WeakPolarHBondContact O-CB 3.39Å; A210-F214 PolarHBondContact O-N 2.83Å; L211-F214 WeakPolarHBondContact O-CB 3.37Å; L211-F214 PolarHBondContact O-N 3.43Å; L211-F214 VanDerWaalsContact O-N 3.11Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 2.97Å; F214-K217 CarbonylContact O-C 3.56Å; F214-K217 WeakPolarHBondContact O-CA 3.4Å; F214-K217 WeakPolarHBondContact O-CB 3.27Å; F214-K217 PolarHBondContact O-N 2.9Å; F214-I218 HydrophobicContact CD1-CD1 3.7Å; F214-I218 HydrophobicContact CD1-CG1 4.38Å; F214-I218 HydrophobicContact CE1-CD1 3.14Å; F214-I218 HydrophobicContact CE1-CG1 4.15Å; F214-I218 HydrophobicContact CE2-CD1 4.09Å; F214-I218 HydrophobicContact CE2-CG1 4.41Å; F214-I218 HydrophobicContact CG-CD1 4.39Å; F214-I218 HydrophobicContact CZ-CD1 3.38Å; F214-I218 HydrophobicContact CZ-CG1 4.17Å; F214-I218 PolarHBondContact O-N 3.17Å
215D77Confident75.4Confident94 Ų94102.8 Ų102.850%0.50351%0.51SS..Hα-helixtrans-59.5-41.2175-88.7-8000112.1L211 K217 I218 H219L211-D215 PolarHBondContact O-N 3.41Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.35Å; D215-I218 PolarHBondContact O-N 3.44Å; D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 3.02Å
216K75.9Confident74.2Confident150 Ų150106.4 Ų106.465%0.65253%0.53SS*.Hα-helixtrans-62.1-34.9174.2-73.5172.9-175.2176.40112.7K212 F214 R220K212-K216 VanDerWaalsContact O-CG 3.29Å; K212-K216 WeakPolarHBondContact O-CG 3.37Å; K212-K216 PolarHBondContact O-N 3.28Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 2.97Å; K216-R220 PolarHBondContact O-N 3.42Å
217K73.3Confident73Confident136 Ų136110 Ų11059%0.59154%0.538SS*.Hα-helixtrans-75.3-41.1176.9-74.9173-178.3175.70111.1S213 F214 D215 R220 L221S213-K217 WeakPolarHBondContact O-CG 3.47Å; S213-K217 PolarHBondContact O-N 3.47Å; S213-K217 VanDerWaalsContact O-N 3.14Å; F214-K217 CarbonylContact O-C 3.56Å; F214-K217 WeakPolarHBondContact O-CA 3.4Å; F214-K217 WeakPolarHBondContact O-CB 3.27Å; F214-K217 PolarHBondContact O-N 2.9Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.35Å; K217-R220 PolarHBondContact O-N 2.88Å; K217-L221 WeakPolarHBondContact O-CG 3.29Å; K217-L221 PolarHBondContact O-N 3.05Å
218I69.8Low71.5Confident57 Ų57109.6 Ų109.629%0.29253%0.533SS..Hα-helixtrans-64.9-41.3174.9-70.8-175.5000111F214 D215 R220 L221 I223F214-I218 HydrophobicContact CD1-CD1 3.7Å; F214-I218 HydrophobicContact CD1-CG1 4.38Å; F214-I218 HydrophobicContact CE1-CD1 3.14Å; F214-I218 HydrophobicContact CE1-CG1 4.15Å; F214-I218 HydrophobicContact CE2-CD1 4.09Å; F214-I218 HydrophobicContact CE2-CG1 4.41Å; F214-I218 HydrophobicContact CG-CD1 4.39Å; F214-I218 HydrophobicContact CZ-CD1 3.38Å; F214-I218 HydrophobicContact CZ-CG1 4.17Å; F214-I218 PolarHBondContact O-N 3.17Å; D215-I218 PolarHBondContact O-N 3.44Å; I218-R220 PolarHBondContact O-N 2.66Å; I218-L221 CarbonylContact O-C 3.16Å; I218-L221 WeakPolarHBondContact O-CA 3.21Å; I218-L221 PolarHBondContact O-N 2.97Å; I218-I223 HydrophobicContact CG2-CD1 4.45Å
219H62.3Low70.4Confident147 Ų147112 Ų11268%0.68154%0.541SS*.Hα-helixtrans-62-27.1176.2-78.3-8.3000113.4D215D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 3.02Å
220R63.9Low69.4Low226 Ų226112.2 Ų112.285%0.85355%0.547SS*.Hα-helixtrans-81.2-30.7172.9-73.7-179.5159.4176.4-5.3113K216 K217 I218 H222K216-R220 PolarHBondContact O-N 3.42Å; K217-R220 PolarHBondContact O-N 2.88Å; I218-R220 PolarHBondContact O-N 2.66Å; R220-H222 VanDerWaalsContact C-N 3.33Å; R220-H222 PolarHBondContact O-N 3.4Å; R220-H222 VanDerWaalsContact O-N 3.15Å
221L60.5Low68.4Low112 Ų112116.4 Ų116.459%0.58656%0.563SS**SBendtrans-81.586.3169.3-64.2169.4000106.7K217 I218 I223K217-L221 WeakPolarHBondContact O-CG 3.29Å; K217-L221 PolarHBondContact O-N 3.05Å; I218-L221 CarbonylContact O-C 3.16Å; I218-L221 WeakPolarHBondContact O-CA 3.21Å; I218-L221 PolarHBondContact O-N 2.97Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 WeakPolarHBondContact O-CG1 3.47Å; L221-I223 PolarHBondContact O-N 3.07Å
222H58.9Low67.5Low131 Ų131113.3 Ų113.361%0.60655%0.549SS*.  trans-56.690.7158.3-72.6-178.5000106.5R220 R224 N245R220-H222 VanDerWaalsContact C-N 3.33Å; R220-H222 PolarHBondContact O-N 3.4Å; R220-H222 VanDerWaalsContact O-N 3.15Å; H222-R224 PolarHBondContact O-N 2.9Å; H222-N245 PolarHBondContact NE2-ND2 2.91Å
223I57.7Low66.7Low121 Ų121114.6 Ų114.662%0.62155%0.55SS**  trans-69.286.1174.9-60.5174.9000103I218 L221I218-I223 HydrophobicContact CG2-CD1 4.45Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 WeakPolarHBondContact O-CG1 3.47Å; L221-I223 PolarHBondContact O-N 3.07Å
224R60.9Low65.9Low87 Ų87116.6 Ų116.633%0.32856%0.562SS.*  trans-50.5132.2159.5-72.5-172175.7-169.2-2.5104.6H222 K228 D229 P230 S232H222-R224 PolarHBondContact O-N 2.9Å; R224-K228 HydrophobicContact CB-CB 3.95Å; R224-D229 PolarHBondContact NH1-O 3.44Å; R224-P230 PolarHBondContact NH1-O 3.18Å; R224-P230 VanDerWaalsContact NH1-O 3.1Å; R224-S232 PolarHBondContact NH1-O 3.38Å; R224-S232 PolarHBondContact NH1-OG 3.47Å; R224-S232 PolarHBondContact NH2-O 2.92Å
225P60Low65.1Low53 Ų53114.7 Ų114.734%0.34456%0.557SS.*  trans-50.8141.9176.821-31.4000108.5W227 K228P225-W227 HydrophobicContact CB-CD2 3.79Å; P225-W227 HydrophobicContact CB-CE3 3.89Å; P225-W227 HydrophobicContact CB-CH2 3.52Å; P225-W227 HydrophobicContact CB-CZ2 3.39Å; P225-W227 HydrophobicContact CB-CZ3 3.76Å; P225-W227 HydrophobicContact CG-CD2 4.38Å; P225-W227 HydrophobicContact CG-CH2 4.4Å; P225-W227 HydrophobicContact CG-CZ2 3.8Å; P225-W227 PolarHBondContact O-N 2.93Å; P225-K228 HydrophobicContact CG-CB 4.43Å; P225-K228 HydrophobicContact CG-CG 3.98Å; P225-K228 WeakPolarHBondContact O-CB 3.38Å; P225-K228 PolarHBondContact O-N 3.26Å
226P59.1Low64.6Low127 Ų127115.2 Ų115.283%0.82557%0.565SS**THydrogen-bonded Turntrans-59.1-7.7-163.120-32.5000115.2
227W61.9Low64.1Low205 Ų205110.8 Ų110.878%0.77755%0.553SS**THydrogen-bonded Turntrans-95.65.4174.862.682.1000114.7P225P225-W227 HydrophobicContact CB-CD2 3.79Å; P225-W227 HydrophobicContact CB-CE3 3.89Å; P225-W227 HydrophobicContact CB-CH2 3.52Å; P225-W227 HydrophobicContact CB-CZ2 3.39Å; P225-W227 HydrophobicContact CB-CZ3 3.76Å; P225-W227 HydrophobicContact CG-CD2 4.38Å; P225-W227 HydrophobicContact CG-CH2 4.4Å; P225-W227 HydrophobicContact CG-CZ2 3.8Å; P225-W227 PolarHBondContact O-N 2.93Å
228K57.9Low63.6Low69 Ų69106.7 Ų106.730%0.354%0.538SS..SBendtrans-105115.4-179.7-87.8-80.7-176.2-169.20110.7R224 P225 L235R224-K228 HydrophobicContact CB-CB 3.95Å; P225-K228 HydrophobicContact CG-CB 4.43Å; P225-K228 HydrophobicContact CG-CG 3.98Å; P225-K228 WeakPolarHBondContact O-CB 3.38Å; P225-K228 PolarHBondContact O-N 3.26Å; K228-L235 VanDerWaalsContact NZ-CD1 3.26Å
229D64.4Low63.5Low89 Ų89112.9 Ų112.948%0.47656%0.558SS.*  trans-51.7125.7174.6178.33.1000110.9R224 N231 S232R224-D229 PolarHBondContact NH1-O 3.44Å; D229-N231 PolarHBondContact O-N 2.94Å; D229-N231 VanDerWaalsContact O-N 3.14Å; D229-N231 PolarHBondContact OD1-N 3.38Å; D229-S232 PolarHBondContact O-N 2.95Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 2.9Å
230P66.7Low63.8Low105 Ų105109.5 Ų109.568%0.68255%0.547SS*.THydrogen-bonded Turntrans-56.5-21.2174.621.5-32.6000114R224R224-P230 PolarHBondContact NH1-O 3.18Å; R224-P230 VanDerWaalsContact NH1-O 3.1Å
231N67.2Low64.1Low143 Ų143102.8 Ų102.877%0.76553%0.528SS*.THydrogen-bonded Turntrans-90.5-6.2178.5-62-32.3000114.2D229D229-N231 PolarHBondContact O-N 2.94Å; D229-N231 VanDerWaalsContact O-N 3.14Å; D229-N231 PolarHBondContact OD1-N 3.38Å
232S69.1Low64.6Low35 Ų35100 Ų10025%0.24552%0.521CS..SBendtrans-68.6138.8-179.160.70000112.5R224 D229R224-S232 PolarHBondContact NH1-O 3.38Å; R224-S232 PolarHBondContact NH1-OG 3.47Å; R224-S232 PolarHBondContact NH2-O 2.92Å; D229-S232 PolarHBondContact O-N 2.95Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 2.9Å
233R67.7Low65.4Low158 Ų15899.7 Ų99.760%0.59652%0.518SS*.PPolyproline II helixtrans-56.2139.4174.6-65.1-174.4-175-172.76109.4D22 L235D22-R233 IonicContact OD1-NH2 2.66Å; R233-L235 PolarHBondContact O-N 3.3Å
234P67.5Low66.3Low92 Ų92100.9 Ų100.960%0.59752%0.515SS*.PPolyproline II helixtrans-60.4127.5-17924.4-32.4000110D238P234-D238 HydrophobicContact CB-CB 3.97Å
235L64.9Low67Low72 Ų7299.8 Ų99.838%0.37752%0.516SS..PPolyproline II helixtrans-66.3159.4174.6-72.3180000110.2K228 R233 S237 D238 R239K228-L235 VanDerWaalsContact NZ-CD1 3.26Å; R233-L235 PolarHBondContact O-N 3.3Å; L235-S237 WeakPolarHBondContact CB-OG 3.41Å; L235-S237 PolarHBondContact O-N 3Å; L235-S237 VanDerWaalsContact O-N 3.08Å; L235-D238 PolarHBondContact N-OD2 3.44Å; L235-D238 WeakPolarHBondContact O-CA 3.3Å; L235-D238 WeakPolarHBondContact O-CB 3.37Å; L235-D238 PolarHBondContact O-N 3.13Å; L235-R239 PolarHBondContact O-N 3.48Å
236P67Low68Low104 Ų104102.7 Ų102.768%0.67553%0.526SS*.Hα-helixtrans-52.2-30.2169.9-2835.8000113.5R239 T240P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.42Å; P236-T240 PolarHBondContact O-N 2.92Å
237S65.1Low69Low58 Ų58102.1 Ų102.141%0.40651%0.508SS..Hα-helixtrans-64.8-40.6171.155.70000112.8L235 R239 T240 I241L235-S237 WeakPolarHBondContact CB-OG 3.41Å; L235-S237 PolarHBondContact O-N 3Å; L235-S237 VanDerWaalsContact O-N 3.08Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.37Å; S237-T240 WeakPolarHBondContact CA-OG1 3.39Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.32Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 2.98Å
238D64.3Low69.8Low50 Ų5097.6 Ų97.627%0.26750%0.496SS..Hα-helixtrans-69.1-33.7178-54.1-18.5000110.3P234 L235 I241 A242P234-D238 HydrophobicContact CB-CB 3.97Å; L235-D238 PolarHBondContact N-OD2 3.44Å; L235-D238 WeakPolarHBondContact O-CA 3.3Å; L235-D238 WeakPolarHBondContact O-CB 3.37Å; L235-D238 PolarHBondContact O-N 3.13Å; D238-I241 PolarHBondContact O-N 3.31Å; D238-A242 PolarHBondContact O-N 2.68Å
239R66Low70.7Confident187 Ų18798.2 Ų98.271%0.70650%0.503SS*.Hα-helixtrans-64.4-39.8171.2-166.2-178.4-167.6-179.18.1111.9L235 P236 S237 I241 A242 F243L235-R239 PolarHBondContact O-N 3.48Å; P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.42Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.37Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-A242 PolarHBondContact O-N 2.9Å; R239-F243 PolarHBondContact O-N 3.02Å
240T69.7Low71.3Confident75 Ų75100.5 Ų100.546%0.4651%0.505SS..Hα-helixtrans-66.3-37.5173.8540000111.9P236 S237 F243 Y244P236-T240 PolarHBondContact O-N 2.92Å; S237-T240 WeakPolarHBondContact CA-OG1 3.39Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.32Å; T240-F243 WeakPolarHBondContact O-CB 3.47Å; T240-F243 PolarHBondContact O-N 3.23Å; T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.43Å
241I70.6Confident71.9Confident86 Ų8698 Ų9844%0.44149%0.486SS..Hα-helixtrans-64.5-42174.1-67.2162000110.8S237 D238 R239 F243 Y244 N245S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 2.98Å; D238-I241 PolarHBondContact O-N 3.31Å; R239-I241 VanDerWaalsContact C-N 3.34Å; I241-F243 VanDerWaalsContact C-N 3.28Å; I241-F243 PolarHBondContact O-N 3.48Å; I241-Y244 PolarHBondContact O-N 3.39Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; I241-N245 PolarHBondContact O-N 3.38Å; I241-N245 PolarHBondContact O-OD1 2.83Å
242A71.2Confident72.3Confident53 Ų5397 Ų9744%0.43848%0.475SS..Hα-helixtrans-60.5-37.9173.900000112.3D238 R239 N245 M246D238-A242 PolarHBondContact O-N 2.68Å; R239-A242 PolarHBondContact O-N 2.9Å; A242-N245 PolarHBondContact O-N 2.95Å; A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 2.94Å
243F75.5Confident72.4Confident125 Ų125101.6 Ų101.655%0.54849%0.488SS..Hα-helixtrans-65.2-42.6173.1-176.2-90.3000112R239 T240 I241 M246 Y247R239-F243 PolarHBondContact O-N 3.02Å; T240-F243 WeakPolarHBondContact O-CB 3.47Å; T240-F243 PolarHBondContact O-N 3.23Å; I241-F243 VanDerWaalsContact C-N 3.28Å; I241-F243 PolarHBondContact O-N 3.48Å; F243-M246 HydrophobicContact CD2-CE 3.97Å; F243-M246 HydrophobicContact CE2-CE 3.98Å; F243-M246 PolarHBondContact O-N 3.12Å; F243-Y247 WeakPolarHBondContact O-CB 3.48Å; F243-Y247 PolarHBondContact O-N 3.44Å
244Y75.4Confident72.2Confident146 Ų146101.5 Ų101.557%0.57349%0.488SS*.Hα-helixtrans-63-43.7174.8-75.5-65.5000111.7T240 I241 M246 Y247 E248T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.43Å; I241-Y244 PolarHBondContact O-N 3.39Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; Y244-M246 PolarHBondContact O-N 2.93Å; Y244-Y247 CarbonylContact O-C 3.6Å; Y244-Y247 WeakPolarHBondContact O-CB 3.31Å; Y244-Y247 PolarHBondContact O-N 3.12Å; Y244-Y247 VanDerWaalsContact O-N 3.12Å; Y244-E248 WeakPolarHBondContact O-CG 3.46Å; Y244-E248 PolarHBondContact O-N 3.39Å
245N77Confident72Confident63 Ų63104 Ų10434%0.33750%0.496SS..Hα-helixtrans-61.1-43.3175.5-69.7-4.2000111.8H222 I241 A242 Y247 E248 D249H222-N245 PolarHBondContact NE2-ND2 2.91Å; I241-N245 PolarHBondContact O-N 3.38Å; I241-N245 PolarHBondContact O-OD1 2.83Å; A242-N245 PolarHBondContact O-N 2.95Å; N245-Y247 VanDerWaalsContact C-N 3.29Å; N245-Y247 PolarHBondContact O-N 3.25Å; N245-E248 PolarHBondContact O-N 3.46Å; N245-D249 WeakPolarHBondContact O-CB 3.5Å; N245-D249 PolarHBondContact O-N 2.85Å
246M79.5Confident71.9Confident114 Ų114106.9 Ų106.956%0.56251%0.508SS*.Hα-helixtrans-63.3-35.7175-172.8-166.770.900112A242 F243 Y244 Y250A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 2.94Å; F243-M246 HydrophobicContact CD2-CE 3.97Å; F243-M246 HydrophobicContact CE2-CE 3.98Å; F243-M246 PolarHBondContact O-N 3.12Å; Y244-M246 PolarHBondContact O-N 2.93Å; M246-Y250 WeakPolarHBondContact O-CB 3.31Å; M246-Y250 PolarHBondContact O-N 3.17Å
247Y81Confident71.2Confident115 Ų115108.4 Ų108.445%0.45150%0.5SS..Hα-helixtrans-69.8-41.9175.8-178.2-103.9000111.9F243 Y244 N245 Y250 L251F243-Y247 WeakPolarHBondContact O-CB 3.48Å; F243-Y247 PolarHBondContact O-N 3.44Å; Y244-Y247 CarbonylContact O-C 3.6Å; Y244-Y247 WeakPolarHBondContact O-CB 3.31Å; Y244-Y247 PolarHBondContact O-N 3.12Å; Y244-Y247 VanDerWaalsContact O-N 3.12Å; N245-Y247 VanDerWaalsContact C-N 3.29Å; N245-Y247 PolarHBondContact O-N 3.25Å; Y247-Y250 WeakPolarHBondContact O-CB 3.36Å; Y247-Y250 PolarHBondContact O-N 3.06Å; Y247-L251 HydrophobicContact CD1-CD1 4Å; Y247-L251 HydrophobicContact CD1-CG 4.45Å; Y247-L251 HydrophobicContact CE1-CD1 3.49Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.49Å; Y247-L251 HydrophobicContact CE1-CG 4.12Å; Y247-L251 WeakPolarHBondContact O-CG 3.42Å; Y247-L251 PolarHBondContact O-N 2.83Å
248E78.3Confident70.5Confident111 Ų111110.1 Ų110.152%0.51951%0.51SS..Hα-helixtrans-62.4-44173-70.9-59.5141.400111.4Y244 N245 Y250 L251 K252Y244-E248 WeakPolarHBondContact O-CG 3.46Å; Y244-E248 PolarHBondContact O-N 3.39Å; N245-E248 PolarHBondContact O-N 3.46Å; E248-Y250 VanDerWaalsContact C-N 3.35Å; E248-Y250 PolarHBondContact O-N 3.41Å; E248-L251 PolarHBondContact O-N 3.08Å; E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 PolarHBondContact O-N 3.16Å
249D77.6Confident69.9Low81 Ų81116.5 Ų116.543%0.43354%0.543SS..Hα-helixtrans-60.2-45.5173.1-78.7-23.2000110.8N245 L251 K252 Y253N245-D249 WeakPolarHBondContact O-CB 3.5Å; N245-D249 PolarHBondContact O-N 2.85Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-K252 PolarHBondContact O-N 3.29Å; D249-Y253 HydrophobicContact CB-CD2 4.29Å; D249-Y253 HydrophobicContact CB-CE2 4.2Å; D249-Y253 WeakPolarHBondContact O-CD2 3.5Å; D249-Y253 PolarHBondContact O-N 2.93Å
250Y77.1Confident69.1Low137 Ų137112.8 Ų112.854%0.53755%0.545SS..Hα-helixtrans-57.7-43.2175.6172-96.2000112.1M246 Y247 E248 R254M246-Y250 WeakPolarHBondContact O-CB 3.31Å; M246-Y250 PolarHBondContact O-N 3.17Å; Y247-Y250 WeakPolarHBondContact O-CB 3.36Å; Y247-Y250 PolarHBondContact O-N 3.06Å; E248-Y250 VanDerWaalsContact C-N 3.35Å; E248-Y250 PolarHBondContact O-N 3.41Å; Y250-R254 WeakPolarHBondContact O-CB 3.3Å; Y250-R254 PolarHBondContact O-N 3Å
251L77.9Confident68.3Low53 Ų53113.4 Ų113.428%0.27755%0.553SS.*Hα-helixtrans-65.4-43.6175.9-69.9179.9000111.6Y247 E248 D249 Y253 R254Y247-L251 HydrophobicContact CD1-CD1 4Å; Y247-L251 HydrophobicContact CD1-CG 4.45Å; Y247-L251 HydrophobicContact CE1-CD1 3.49Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.49Å; Y247-L251 HydrophobicContact CE1-CG 4.12Å; Y247-L251 WeakPolarHBondContact O-CG 3.42Å; Y247-L251 PolarHBondContact O-N 2.83Å; E248-L251 PolarHBondContact O-N 3.08Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.27Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 2.65Å; L251-R254 WeakPolarHBondContact O-CB 3.46Å; L251-R254 PolarHBondContact O-N 3.14Å
252K76.9Confident67.3Low122 Ų122114.4 Ų114.453%0.5356%0.558SS.*Hα-helixtrans-62.7-37.5178.4-174.9-177.9174.8-169.80112.9E248 D249E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 PolarHBondContact O-N 3.16Å; D249-K252 PolarHBondContact O-N 3.29Å
253Y69.5Low65.8Low131 Ų131115.8 Ų115.851%0.51458%0.577SS.*Hα-helixtrans-85.6-14.6177.1-67.7-64000113.4D249 L251 D255 Q256 R257D249-Y253 HydrophobicContact CB-CD2 4.29Å; D249-Y253 HydrophobicContact CB-CE2 4.2Å; D249-Y253 WeakPolarHBondContact O-CD2 3.5Å; D249-Y253 PolarHBondContact O-N 2.93Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 2.65Å; Y253-D255 VanDerWaalsContact C-N 3.28Å; Y253-D255 PolarHBondContact O-N 2.72Å; Y253-Q256 CarbonylContact O-C 3.57Å; Y253-Q256 PolarHBondContact O-N 2.98Å; Y253-Q256 VanDerWaalsContact O-N 3.16Å; Y253-R257 WeakPolarHBondContact O-CB 3.36Å; Y253-R257 PolarHBondContact O-N 3.47Å
254R64.9Low64.7Low157 Ų157118.6 Ų118.659%0.59259%0.586SS**Hα-helixtrans-60.1-40.2174.1-179.8-179.9163.7175.4-5.4111.3Y250 L251 Q256 R257Y250-R254 WeakPolarHBondContact O-CB 3.3Å; Y250-R254 PolarHBondContact O-N 3Å; L251-R254 WeakPolarHBondContact O-CB 3.46Å; L251-R254 PolarHBondContact O-N 3.14Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.25Å; R254-R257 PolarHBondContact O-N 2.94Å
255D63.7Low63Low145 Ų145117 Ų11778%0.77560%0.596SS**THydrogen-bonded Turntrans-76.3-16.2179.1-61.8-22.1000112.8Y253Y253-D255 VanDerWaalsContact C-N 3.28Å; Y253-D255 PolarHBondContact O-N 2.72Å
256Q61.6Low61.6Low132 Ų132120.7 Ų120.762%0.61762%0.621SS**THydrogen-bonded Turntrans-100.3-5.5178-61.5-178.816.400113.1Y253 R254 P258Y253-Q256 CarbonylContact O-C 3.57Å; Y253-Q256 PolarHBondContact O-N 2.98Å; Y253-Q256 VanDerWaalsContact O-N 3.16Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.25Å; Q256-P258 WeakPolarHBondContact O-CD 3.42Å
257R52Low60.2Low136 Ų136120.6 Ų120.651%0.51363%0.627SS.*SBendtrans-83.7120.3-178.4-160.7176.3-157.9-173.45.5109.5Y253 R254 L259Y253-R257 WeakPolarHBondContact O-CB 3.36Å; Y253-R257 PolarHBondContact O-N 3.47Å; R254-R257 PolarHBondContact O-N 2.94Å; R257-L259 PolarHBondContact O-N 2.84Å; R257-L259 VanDerWaalsContact O-N 3.08Å
258P51.1Low58.7Low94 Ų94124.3 Ų124.361%0.6165%0.645SS**  trans-56.6120170-18.730.1000108.6Q256 S260Q256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-S260 PolarHBondContact O-N 3.14Å
259L51.5Low57Low184 Ų184125 Ų12596%0.96366%0.662SS**THydrogen-bonded Turntrans-63.716.6-177.6-73.3161000114.1R257R257-L259 PolarHBondContact O-N 2.84Å; R257-L259 VanDerWaalsContact O-N 3.08Å
260S50.3Low55.5Low109 Ų109128.7 Ų128.776%0.76268%0.68SS**THydrogen-bonded Turntrans-100.9-3.2-167.766.60000116.1P258P258-S260 PolarHBondContact O-N 3.14Å
261S52.2Low54.1Low88 Ų88129.6 Ų129.662%0.61569%0.694SS**SBendtrans-127.13.8-170.570.80000118.1
262L48.8Very low52.7Low107 Ų107134.1 Ų134.156%0.5672%0.719SS**  trans-130.186.2179-136.872.8000111.8Y264L262-Y264 HydrophobicContact CD1-CE2 4.45Å; L262-Y264 HydrophobicContact CD2-CD2 4.2Å; L262-Y264 HydrophobicContact CD2-CE2 4.4Å; L262-Y264 HydrophobicContact CG-CD2 3.86Å; L262-Y264 HydrophobicContact CG-CE2 3.95Å; L262-Y264 PolarHBondContact O-N 2.93Å
263G40.9Very low51.6Low81 Ų81137.2 Ų137.284%0.83574%0.735SS**  trans-69.161.2179.600000114.8
264Y51.5Low50.5Low184 Ų184138 Ų13872%0.72275%0.753SS**  trans-118.792.4167.2-59.6-70.8000110.1L262 T266L262-Y264 HydrophobicContact CD1-CE2 4.45Å; L262-Y264 HydrophobicContact CD2-CD2 4.2Å; L262-Y264 HydrophobicContact CD2-CE2 4.4Å; L262-Y264 HydrophobicContact CG-CD2 3.86Å; L262-Y264 HydrophobicContact CG-CE2 3.95Å; L262-Y264 PolarHBondContact O-N 2.93Å; Y264-T266 PolarHBondContact O-N 2.91Å
265S40.7Very low50.1Low113 Ų113134 Ų13479%0.7975%0.753SS**  trans16.671.6146.4-171.20000117.3
266T47.1Very low49.8Very low141 Ų141132.1 Ų132.187%0.86575%0.747SS**  trans-100.769163.1360000109.7Y264Y264-T266 PolarHBondContact O-N 2.91Å
267T48.7Very low50Low111 Ų111136.7 Ų136.768%0.68176%0.759SS**  trans-86.9119.1164.156.40000109
268K50.4Low51Low193 Ų193140 Ų14084%0.83977%0.771SS**SBendtrans88.983.2162.1-50.7178.4-175.2-174.80116.9
269C43.5Very low52.4Low127 Ų127140.1 Ų140.186%0.85877%0.766SS**  -173.669.6128.5-96.30000107.1
270L45.2Very low54Low158 Ų158140.3 Ų140.383%0.82776%0.756SS**  trans-95.5136.5157.3-67.7173.3000105
271N47.9Very low56Low156 Ų156142.1 Ų142.183%0.83475%0.752SS**  trans93.681.7-174-41.9-23.9000113.4
272D48.5Very low57.7Low147 Ų147141.9 Ų141.979%0.78675%0.75SS**  trans-152.1100.4146.1-89.9-22.8000106.4V274D272-V274 PolarHBondContact O-N 3.38Å
273E53.3Low59.7Low188 Ų188139.4 Ų139.488%0.87974%0.739SS**  trans-50.4126.1166.9-72.8166133.100109.9A275E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 3.38Å
274V47.6Very low62Low146 Ų146138.6 Ų138.689%0.88572%0.715SS**  trans25.156.1152.7-161.70000116D272 V276D272-V274 PolarHBondContact O-N 3.38Å; V274-V276 PolarHBondContact O-N 3.22Å
275A56Low64Low73 Ų73133.8 Ų133.860%0.60370%0.702SS**  trans-88.9103.316600000107.2E273 R277E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 3.38Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.02Å
276V57Low66.5Low107 Ų107136.7 Ų136.765%0.64870%0.696SS**  trans-51.3100.4165.7177.70000106.8V274 R278V274-V276 PolarHBondContact O-N 3.22Å; V276-R278 HydrophobicContact CG1-CG 3.99Å; V276-R278 PolarHBondContact O-N 2.96Å
277R65.3Low68.6Low228 Ų228134.3 Ų134.386%0.8668%0.677SS**  trans-7172.8179.2-79.6-173.9170.4-151.3-1.8108.6A275 L279A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.02Å; R277-L279 PolarHBondContact O-N 3.48Å
278R74.3Confident70.9Confident205 Ų205135.8 Ų135.877%0.77467%0.671SS**PPolyproline II helixtrans-55.8126.2167.5-67.5-171.9173.8101.7-3106.9V276 Y280V276-R278 HydrophobicContact CG1-CG 3.99Å; V276-R278 PolarHBondContact O-N 2.96Å; R278-Y280 PolarHBondContact O-N 3.39Å
279L79.5Confident73Confident97 Ų97132.4 Ų132.451%0.50866%0.658SS.*PPolyproline II helixtrans-55.4129.4173.3-69.2172.4000108.3R277 T283 L284 L287R277-L279 PolarHBondContact O-N 3.48Å; L279-T283 HydrophobicContact CB-CG2 4.47Å; L279-T283 HydrophobicContact CD1-CG2 4.47Å; L279-T283 HydrophobicContact CD2-CG2 4.14Å; L279-L284 HydrophobicContact CB-CD2 4.08Å; L279-L284 HydrophobicContact CB-CG 4.11Å; L279-L284 HydrophobicContact CD1-CD2 4.19Å; L279-L287 HydrophobicContact CD1-CD1 4.18Å
280Y85.7Confident75.5Confident187 Ų187129.5 Ų129.573%0.73363%0.634SS**PPolyproline II helixtrans-51.3145.5174.3-65.8-82.2000110.5R278 S282 T283 L284R278-Y280 PolarHBondContact O-N 3.39Å; Y280-S282 PolarHBondContact O-N 3.47Å; Y280-S282 VanDerWaalsContact O-N 3.07Å; Y280-T283 WeakPolarHBondContact O-CA 3.42Å; Y280-T283 WeakPolarHBondContact O-CB 3.37Å; Y280-T283 PolarHBondContact O-N 3.06Å; Y280-L284 PolarHBondContact O-N 2.87Å; Y280-L284 VanDerWaalsContact O-N 3.12Å
281H91.4Very high77.8Confident148 Ų148127.5 Ų127.569%0.68562%0.62SS**Hα-helixtrans-53.7-31.7179.9-68.5-65.5000113.4L284 N285H281-L284 PolarHBondContact O-N 2.74Å; H281-N285 VanDerWaalsContact O-CB 3.31Å; H281-N285 WeakPolarHBondContact O-CB 3.4Å; H281-N285 PolarHBondContact O-N 3.48Å; H281-N285 PolarHBondContact O-ND2 2.83Å
282S87.9Confident80Confident82 Ų82127.2 Ų127.257%0.57361%0.611SS**Hα-helixtrans-61.6-43.3174.253.90000112.4Y280 N285 R286Y280-S282 PolarHBondContact O-N 3.47Å; Y280-S282 VanDerWaalsContact O-N 3.07Å; S282-N285 PolarHBondContact O-N 3.29Å; S282-R286 WeakPolarHBondContact O-CB 3.38Å; S282-R286 PolarHBondContact O-N 3.08Å
283T91Very high82Confident55 Ų55123.7 Ų123.734%0.33759%0.592SS.*Hα-helixtrans-66.4-44.1175.8-54.90000110.8L279 Y280 N285 R286 L287L279-T283 HydrophobicContact CB-CG2 4.47Å; L279-T283 HydrophobicContact CD1-CG2 4.47Å; L279-T283 HydrophobicContact CD2-CG2 4.14Å; Y280-T283 WeakPolarHBondContact O-CA 3.42Å; Y280-T283 WeakPolarHBondContact O-CB 3.37Å; Y280-T283 PolarHBondContact O-N 3.06Å; T283-N285 PolarHBondContact O-N 3.21Å; T283-R286 PolarHBondContact O-N 2.76Å; T283-L287 HydrophobicContact CG2-CD1 4.31Å; T283-L287 VanDerWaalsContact O-CG 3.3Å; T283-L287 WeakPolarHBondContact O-CG 3.44Å; T283-L287 PolarHBondContact O-N 2.85Å
284L90.4Very high83.9Confident64 Ų64121 Ų12134%0.33558%0.579SS.*Hα-helixtrans-61.2-42.7175.4-67.8175.8000112.1L279 Y280 H281 L287 R288L279-L284 HydrophobicContact CB-CD2 4.08Å; L279-L284 HydrophobicContact CB-CG 4.11Å; L279-L284 HydrophobicContact CD1-CD2 4.19Å; Y280-L284 PolarHBondContact O-N 2.87Å; Y280-L284 VanDerWaalsContact O-N 3.12Å; H281-L284 PolarHBondContact O-N 2.74Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-R288 PolarHBondContact O-N 2.93Å
285N92.2Very high86.1Confident84 Ų84119.4 Ų119.445%0.44957%0.565SS.*Hα-helixtrans-62.2-43.7175.4-76.6-18.7000111.8H281 S282 T283 L287 R288 Q289H281-N285 VanDerWaalsContact O-CB 3.31Å; H281-N285 WeakPolarHBondContact O-CB 3.4Å; H281-N285 PolarHBondContact O-N 3.48Å; H281-N285 PolarHBondContact O-ND2 2.83Å; S282-N285 PolarHBondContact O-N 3.29Å; T283-N285 PolarHBondContact O-N 3.21Å; N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.38Å; N285-R288 PolarHBondContact O-N 3.47Å; N285-R288 PolarHBondContact OD1-NH2 3.2Å; N285-Q289 WeakPolarHBondContact O-CB 3.42Å; N285-Q289 PolarHBondContact O-N 2.9Å
286R92.5Very high87.8Confident174 Ų174121.8 Ų121.866%0.65756%0.564SS**Hα-helixtrans-62.4-40.3176.2-172.1174.6-176-131.50.2111.7S282 T283 Q289 N290S282-R286 WeakPolarHBondContact O-CB 3.38Å; S282-R286 PolarHBondContact O-N 3.08Å; T283-R286 PolarHBondContact O-N 2.76Å; R286-Q289 PolarHBondContact O-N 3.44Å; R286-N290 WeakPolarHBondContact O-CB 3.02Å; R286-N290 PolarHBondContact O-N 3.32Å; R286-N290 PolarHBondContact O-ND2 3.42Å
287L93Very high89.3Confident90 Ų90121.1 Ų121.147%0.47156%0.557SS.*Hα-helixtrans-64.5-47.7176-71172.8000111.7L279 T283 L284 N285 Q289 N290 E291L279-L287 HydrophobicContact CD1-CD1 4.18Å; T283-L287 HydrophobicContact CG2-CD1 4.31Å; T283-L287 VanDerWaalsContact O-CG 3.3Å; T283-L287 WeakPolarHBondContact O-CG 3.44Å; T283-L287 PolarHBondContact O-N 2.85Å; L284-L287 PolarHBondContact O-N 3.49Å; N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.38Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 3.23Å; L287-N290 WeakPolarHBondContact O-CB 3.46Å; L287-N290 PolarHBondContact O-N 2.82Å; L287-E291 PolarHBondContact O-N 2.91Å
288R95.4Very high90.6Very high143 Ų143118 Ų11854%0.5455%0.546SS..Hα-helixtrans-60.3-38.9174.8-74.3-167.9-71.2-120.56.2112.9L284 N285 E291 K292L284-R288 PolarHBondContact O-N 2.93Å; N285-R288 PolarHBondContact O-N 3.47Å; N285-R288 PolarHBondContact OD1-NH2 3.2Å; R288-E291 PolarHBondContact O-N 3.12Å; R288-K292 PolarHBondContact O-N 3.27Å
289Q95Very high91.3Very high122 Ų122112.8 Ų112.857%0.5753%0.53SS*.Hα-helixtrans-65.6-42.8175.8-175.4178.22.700111.3N285 R286 L287 E291 K292 I293N285-Q289 WeakPolarHBondContact O-CB 3.42Å; N285-Q289 PolarHBondContact O-N 2.9Å; R286-Q289 PolarHBondContact O-N 3.44Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 3.23Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; Q289-E291 PolarHBondContact O-N 3.44Å; Q289-K292 PolarHBondContact O-N 2.85Å; Q289-I293 HydrophobicContact CG-CD1 4.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.3Å; Q289-I293 WeakPolarHBondContact O-CG1 3.34Å; Q289-I293 PolarHBondContact O-N 3.14Å
290N95.2Very high91.7Very high66 Ų66112.4 Ų112.435%0.35353%0.528SS..Hα-helixtrans-61.8-41.5175.4-72.4-17.9000111.5R286 L287 I293 Q294R286-N290 WeakPolarHBondContact O-CB 3.02Å; R286-N290 PolarHBondContact O-N 3.32Å; R286-N290 PolarHBondContact O-ND2 3.42Å; L287-N290 WeakPolarHBondContact O-CB 3.46Å; L287-N290 PolarHBondContact O-N 2.82Å; N290-I293 PolarHBondContact O-N 2.89Å; N290-Q294 VanDerWaalsContact O-CG 3.31Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.86Å
291E93.7Very high91.7Very high115 Ų115105.6 Ų105.654%0.53751%0.511SS..Hα-helixtrans-61.7-45.5175.1-176.6177.5-159.600111.6L287 R288 Q289 I293 Q294 L295L287-E291 PolarHBondContact O-N 2.91Å; R288-E291 PolarHBondContact O-N 3.12Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; Q289-E291 PolarHBondContact O-N 3.44Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.1Å; E291-Q294 WeakPolarHBondContact O-CB 3.37Å; E291-Q294 PolarHBondContact O-N 3.37Å; E291-Q294 VanDerWaalsContact O-N 3.13Å; E291-L295 WeakPolarHBondContact O-CG 3.43Å; E291-L295 PolarHBondContact O-N 3.38Å
292K95.9Very high91.3Very high150 Ų150103.7 Ų103.765%0.65250%0.501SS*.Hα-helixtrans-57.4-44.7174.7-174.9178.9178.6-1790112.1R288 Q289 Q294 L295 E296R288-K292 PolarHBondContact O-N 3.27Å; Q289-K292 PolarHBondContact O-N 2.85Å; K292-Q294 VanDerWaalsContact C-N 3.32Å; K292-Q294 PolarHBondContact O-N 2.77Å; K292-L295 PolarHBondContact O-N 3.49Å; K292-E296 PolarHBondContact O-N 2.79Å
293I90.1Very high91.3Very high73 Ų73106.7 Ų106.737%0.37450%0.5SS..Hα-helixtrans-62.7-39.7177.4-68.5164.7000110.9Q289 N290 E291 E296 N297Q289-I293 HydrophobicContact CG-CD1 4.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.3Å; Q289-I293 WeakPolarHBondContact O-CG1 3.34Å; Q289-I293 PolarHBondContact O-N 3.14Å; N290-I293 PolarHBondContact O-N 2.89Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.1Å; I293-E296 PolarHBondContact O-N 2.79Å; I293-N297 WeakPolarHBondContact O-CB 3.37Å; I293-N297 PolarHBondContact O-N 3.45Å; I293-N297 PolarHBondContact O-ND2 2.89Å
294Q92.5Very high90.8Very high133 Ų133107.8 Ų107.862%0.62150%0.503SS*.Hα-helixtrans-65.3-42.5178-73172.79.600112.2N290 E291 K292 N297 Y298N290-Q294 VanDerWaalsContact O-CG 3.31Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.86Å; E291-Q294 WeakPolarHBondContact O-CB 3.37Å; E291-Q294 PolarHBondContact O-N 3.37Å; E291-Q294 VanDerWaalsContact O-N 3.13Å; K292-Q294 VanDerWaalsContact C-N 3.32Å; K292-Q294 PolarHBondContact O-N 2.77Å; Q294-N297 PolarHBondContact O-N 3.19Å; Q294-Y298 WeakPolarHBondContact O-CB 3.41Å; Q294-Y298 PolarHBondContact O-N 2.75Å
295L93.4Very high90.4Very high112 Ų112111.9 Ų111.959%0.58652%0.52SS*.Hα-helixtrans-63.8-43.1176.2-69.2173.1000111.9E291 K292 Y298 E299E291-L295 WeakPolarHBondContact O-CG 3.43Å; E291-L295 PolarHBondContact O-N 3.38Å; K292-L295 PolarHBondContact O-N 3.49Å; L295-Y298 PolarHBondContact O-N 3.39Å; L295-E299 PolarHBondContact O-N 3.2Å
296E92.2Very high89.8Confident122 Ų122115.7 Ų115.757%0.5753%0.533SS*.Hα-helixtrans-62.7-44175.8-175.9177.317800111.7K292 I293 Y298 E299 L300K292-E296 PolarHBondContact O-N 2.79Å; I293-E296 PolarHBondContact O-N 2.79Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.08Å; E296-E299 PolarHBondContact O-N 3.43Å; E296-L300 WeakPolarHBondContact O-CB 3.47Å; E296-L300 PolarHBondContact O-N 2.72Å
297N89.3Confident88.9Confident94 Ų94112.5 Ų112.550%0.50353%0.528SS..Hα-helixtrans-62.9-39.8176-74.6-14.1000112.1I293 Q294 L300 A301I293-N297 WeakPolarHBondContact O-CB 3.37Å; I293-N297 PolarHBondContact O-N 3.45Å; I293-N297 PolarHBondContact O-ND2 2.89Å; Q294-N297 PolarHBondContact O-N 3.19Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-A301 WeakPolarHBondContact O-CB 3.34Å; N297-A301 PolarHBondContact O-N 3.16Å
298Y91.4Very high87.9Confident161 Ų161117.4 Ų117.463%0.63154%0.54SS*.Hα-helixtrans-63.9-44.5175.7176.4-104.2000111.5Q294 L295 E296 A301 K302Q294-Y298 WeakPolarHBondContact O-CB 3.41Å; Q294-Y298 PolarHBondContact O-N 2.75Å; L295-Y298 PolarHBondContact O-N 3.39Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.08Å; Y298-A301 PolarHBondContact O-N 3.05Å; Y298-K302 WeakPolarHBondContact O-CB 3.37Å; Y298-K302 PolarHBondContact O-N 3.47Å
299E89.5Confident86.7Confident96 Ų96113.5 Ų113.545%0.44953%0.533SS..Hα-helixtrans-64.1-41.8176.1-167.9-177.7-178.500111.7L295 E296 K302 R303L295-E299 PolarHBondContact O-N 3.2Å; E296-E299 PolarHBondContact O-N 3.43Å; E299-K302 PolarHBondContact O-N 3Å; E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.19Å; E299-R303 IonicContact OE1-CZ 3.37Å; E299-R303 IonicContact OE1-NE 3.54Å; E299-R303 PolarHBondContact OE1-NE 3.14Å; E299-R303 IonicContact OE1-NH2 3.42Å; E299-R303 PolarHBondContact OE1-NH2 3.35Å; E299-R303 IonicContact OE2-NH2 3.93Å
300L88.7Confident85.7Confident89 Ų89111.7 Ų111.747%0.46653%0.531SS..Hα-helixtrans-60.7-46.5175.1-176.465.5000111.1E296 N297 K302 R303 L304E296-L300 WeakPolarHBondContact O-CB 3.47Å; E296-L300 PolarHBondContact O-N 2.72Å; N297-L300 PolarHBondContact O-N 3.15Å; L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.5Å; L300-R303 PolarHBondContact O-N 2.97Å; L300-R303 VanDerWaalsContact O-N 3.17Å; L300-L304 HydrophobicContact CD1-CG 4.5Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3Å
301A84Confident84.5Confident45 Ų45114.5 Ų114.537%0.37255%0.55SS..Hα-helixtrans-58.7-43.5176.100000111.6N297 Y298 R303 L304 Q305N297-A301 WeakPolarHBondContact O-CB 3.34Å; N297-A301 PolarHBondContact O-N 3.16Å; Y298-A301 PolarHBondContact O-N 3.05Å; A301-R303 PolarHBondContact O-N 2.64Å; A301-L304 PolarHBondContact O-N 3.36Å; A301-Q305 WeakPolarHBondContact O-CG 3Å; A301-Q305 PolarHBondContact O-N 3.33Å
302K84.6Confident83.8Confident107 Ų107113 Ų11347%0.46557%0.566SS.*Hα-helixtrans-62.9-39175.5-172.3176.4-175.9174.70112.5Y298 E299 L300 K306Y298-K302 WeakPolarHBondContact O-CB 3.37Å; Y298-K302 PolarHBondContact O-N 3.47Å; E299-K302 PolarHBondContact O-N 3Å; L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.5Å; K302-K306 PolarHBondContact O-N 3.32Å
303R86.7Confident82.9Confident146 Ų146108.3 Ų108.355%0.55155%0.547SS*.Hα-helixtrans-65.6-45.7173.7-70.7173.3-173.2176.92.4110.8E299 L300 A301 Q305 K306 I307E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.19Å; E299-R303 IonicContact OE1-CZ 3.37Å; E299-R303 IonicContact OE1-NE 3.54Å; E299-R303 PolarHBondContact OE1-NE 3.14Å; E299-R303 IonicContact OE1-NH2 3.42Å; E299-R303 PolarHBondContact OE1-NH2 3.35Å; E299-R303 IonicContact OE2-NH2 3.93Å; L300-R303 PolarHBondContact O-N 2.97Å; L300-R303 VanDerWaalsContact O-N 3.17Å; A301-R303 PolarHBondContact O-N 2.64Å; R303-Q305 VanDerWaalsContact C-N 3.28Å; R303-Q305 PolarHBondContact O-N 3.22Å; R303-K306 PolarHBondContact O-N 2.83Å; R303-I307 PolarHBondContact O-N 2.82Å
304L82.1Confident82.5Confident78 Ų78108.4 Ų108.441%0.40855%0.551SS.*Hα-helixtrans-62.7-32.6178-69.9177.4000112.7L300 A301 K306 I307L300-L304 HydrophobicContact CD1-CG 4.5Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3Å; A301-L304 PolarHBondContact O-N 3.36Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.34Å; L304-I307 HydrophobicContact CD2-CD1 3.7Å; L304-I307 PolarHBondContact O-N 2.89Å
305Q80.7Confident81.7Confident150 Ų150107 Ų10770%0.70154%0.54SS*.Hα-helixtrans-64.5-31.9172.9-76.9173.6-5.900112.8A301 R303A301-Q305 WeakPolarHBondContact O-CG 3Å; A301-Q305 PolarHBondContact O-N 3.33Å; R303-Q305 VanDerWaalsContact C-N 3.28Å; R303-Q305 PolarHBondContact O-N 3.22Å
306K79.8Confident81.2Confident164 Ų164107.2 Ų107.271%0.71354%0.538SS*.Hα-helixtrans-83.1-12.9178.1-66.2-177.9177.9-166.50113.6K302 R303 L304 R308K302-K306 PolarHBondContact O-N 3.32Å; R303-K306 PolarHBondContact O-N 2.83Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.34Å; K306-R308 PolarHBondContact O-N 3.16Å; K306-R308 VanDerWaalsContact O-N 3.15Å
307I74Confident80.7Confident107 Ų107104.8 Ų104.855%0.54953%0.527SS..SBendtrans-70113.8174-61.9179.1000106.7R303 L304R303-I307 PolarHBondContact O-N 2.82Å; L304-I307 HydrophobicContact CD2-CD1 3.7Å; L304-I307 PolarHBondContact O-N 2.89Å
308R71.6Confident80.3Confident193 Ų193101.8 Ų101.873%0.72851%0.51SS*.PPolyproline II helixtrans-51.7137176.4-171.8-176.2170.6165.3-0.6109.1K306 T310K306-R308 PolarHBondContact O-N 3.16Å; K306-R308 VanDerWaalsContact O-N 3.15Å; R308-T310 PolarHBondContact O-N 2.87Å
309P70.5Confident79.8Confident60 Ų6097.5 Ų97.539%0.3950%0.497SS..PPolyproline II helixtrans-52.8139.4168.221.5-31.3000109.6T311P309-T311 PolarHBondContact O-N 3.34Å
310T73.9Confident79.6Confident85 Ų85100.9 Ų100.952%0.52151%0.506SS..PPolyproline II helixtrans-54124.1176.6-57.30000106.7R308 G312 M313 Q318R308-T310 PolarHBondContact O-N 2.87Å; T310-G312 PolarHBondContact O-N 3.25Å; T310-M313 PolarHBondContact O-N 2.91Å; T310-Q318 PolarHBondContact OG1-NE2 3.42Å
311T70.5Confident79.1Confident124 Ų12499.2 Ų99.276%0.76150%0.498SS*.THydrogen-bonded Turntrans-50.3118.3-178.3-54.50000109.8P309P309-T311 PolarHBondContact O-N 3.34Å
312G78.5Confident78.8Confident85 Ų85103.3 Ų103.388%0.87650%0.504SS*.THydrogen-bonded Turntrans97.7-2.1-177.200000116T310T310-G312 PolarHBondContact O-N 3.25Å
313M76.7Confident78.6Confident51 Ų51102.2 Ų102.225%0.25150%0.5SS..  trans-126.5130-180-163142.196.400110.6T310 E317 Q318 D321T310-M313 PolarHBondContact O-N 2.91Å; M313-E317 HydrophobicContact CG-CB 3.63Å; M313-E317 HydrophobicContact CG-CG 3.55Å; M313-E317 WeakPolarHBondContact CG-OE2 3.47Å; M313-E317 HydrophobicContact SD-CB 4.47Å; M313-E317 HydrophobicContact SD-CG 3.82Å; M313-Q318 HydrophobicContact CB-CG 4.35Å; M313-Q318 HydrophobicContact CE-CB 4.3Å; M313-Q318 HydrophobicContact CE-CG 3.69Å; M313-Q318 HydrophobicContact CG-CG 3.97Å; M313-D321 HydrophobicContact CE-CB 4.45Å
314T81.7Confident78.2Confident75 Ų75103 Ų10346%0.4651%0.507SS..  trans-73.4161.3178.382.70000111.1E316 E317 Q318T314-E316 WeakPolarHBondContact CB-OE2 3.48Å; T314-E316 PolarHBondContact O-N 2.84Å; T314-E316 PolarHBondContact OG1-OE2 3.43Å; T314-E317 WeakPolarHBondContact O-CB 3.41Å; T314-E317 PolarHBondContact O-N 2.88Å; T314-E317 VanDerWaalsContact O-N 3.14Å; T314-E317 PolarHBondContact OG1-N 3.46Å; T314-Q318 WeakPolarHBondContact O-CG 3.38Å; T314-Q318 PolarHBondContact O-N 2.87Å
315R75.9Confident77.7Confident103 Ų103107.8 Ų107.839%0.38952%0.521SS..Hα-helixtrans-59.6-37.3179.5178.960.3179.8130.50.1111.6Q318 L319R315-Q318 PolarHBondContact O-N 3.11Å; R315-L319 HydrophobicContact CG-CD1 4.39Å; R315-L319 WeakPolarHBondContact O-CG 3.45Å; R315-L319 PolarHBondContact O-N 3.48Å
316E81.9Confident77Confident116 Ų116107.1 Ų107.154%0.54252%0.516SS..Hα-helixtrans-65.5-42.1177.8-57.966-136.200110.3T314 L319 R320T314-E316 WeakPolarHBondContact CB-OE2 3.48Å; T314-E316 PolarHBondContact O-N 2.84Å; T314-E316 PolarHBondContact OG1-OE2 3.43Å; E316-L319 PolarHBondContact O-N 2.78Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.89Å
317E83.2Confident76.3Confident72 Ų72103.1 Ų103.134%0.33650%0.501SS..Hα-helixtrans-65.5-44.5177.3-168.5174.6-170.400111.5M313 T314 L319 R320 D321M313-E317 HydrophobicContact CG-CB 3.63Å; M313-E317 HydrophobicContact CG-CG 3.55Å; M313-E317 WeakPolarHBondContact CG-OE2 3.47Å; M313-E317 HydrophobicContact SD-CB 4.47Å; M313-E317 HydrophobicContact SD-CG 3.82Å; T314-E317 WeakPolarHBondContact O-CB 3.41Å; T314-E317 PolarHBondContact O-N 2.88Å; T314-E317 VanDerWaalsContact O-N 3.14Å; T314-E317 PolarHBondContact OG1-N 3.46Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.28Å; E317-R320 PolarHBondContact O-N 2.83Å; E317-D321 PolarHBondContact O-N 3.33Å
318Q80.4Confident75.6Confident31 Ų31102 Ų10215%0.14550%0.499CS..Hα-helixtrans-58.3-40.6171.4-67.1-174.7-41.400113.1T310 M313 T314 R315 Y322T310-Q318 PolarHBondContact OG1-NE2 3.42Å; M313-Q318 HydrophobicContact CB-CG 4.35Å; M313-Q318 HydrophobicContact CE-CB 4.3Å; M313-Q318 HydrophobicContact CE-CG 3.69Å; M313-Q318 HydrophobicContact CG-CG 3.97Å; T314-Q318 WeakPolarHBondContact O-CG 3.38Å; T314-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 PolarHBondContact O-N 3.11Å; Q318-Y322 VanDerWaalsContact O-CB 3.26Å; Q318-Y322 WeakPolarHBondContact O-CB 3.42Å; Q318-Y322 PolarHBondContact O-N 2.95Å
319L81.5Confident75Confident70 Ų7098 Ų9837%0.36650%0.498SS..Hα-helixtrans-68.5-37.9177-75173.6000111.9R315 E316 E317 K323R315-L319 HydrophobicContact CG-CD1 4.39Å; R315-L319 WeakPolarHBondContact O-CG 3.45Å; R315-L319 PolarHBondContact O-N 3.48Å; E316-L319 PolarHBondContact O-N 2.78Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.28Å; L319-K323 WeakPolarHBondContact O-CB 3.41Å; L319-K323 VanDerWaalsContact O-CG 3.27Å; L319-K323 WeakPolarHBondContact O-CG 3.33Å; L319-K323 PolarHBondContact O-N 3.42Å
320R83.8Confident74.3Confident167 Ų167100.6 Ų100.663%0.6351%0.509SS*.Hα-helixtrans-63.2-45.5173.6-76-166.9-63.3-137.50.8111.4E316 E317 K323 K324E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.89Å; E317-R320 PolarHBondContact O-N 2.83Å; R320-K323 WeakPolarHBondContact O-CB 3.29Å; R320-K323 PolarHBondContact O-N 3.25Å; R320-K324 PolarHBondContact O-N 3.4Å
321D79.7Confident73.5Confident55 Ų55101 Ų10129%0.29452%0.516SS..Hα-helixtrans-64.5-46.3177-87.22000111.6M313 E317 K323 K324 Y325M313-D321 HydrophobicContact CE-CB 4.45Å; E317-D321 PolarHBondContact O-N 3.33Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.9Å; D321-K324 WeakPolarHBondContact O-CA 3.47Å; D321-K324 VanDerWaalsContact O-CB 3.28Å; D321-K324 WeakPolarHBondContact O-CB 3.32Å; D321-K324 PolarHBondContact O-N 3.37Å; D321-Y325 HydrophobicContact CB-CE2 4.39Å; D321-Y325 WeakPolarHBondContact O-CD2 3.33Å; D321-Y325 PolarHBondContact O-N 3.45Å; D321-Y325 VanDerWaalsContact O-N 3.12Å
322Y76.4Confident72.6Confident130 Ų130101.6 Ų101.651%0.5151%0.514SS..Hα-helixtrans-58.1-43.4175.5-171.3-93.9000111.5Q318 K324 Y325 F326Q318-Y322 VanDerWaalsContact O-CB 3.26Å; Q318-Y322 WeakPolarHBondContact O-CB 3.42Å; Q318-Y322 PolarHBondContact O-N 2.95Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.44Å; Y322-Y325 PolarHBondContact O-N 3.48Å; Y322-Y325 VanDerWaalsContact O-N 3.15Å; Y322-F326 AromaticContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CE2 4.4Å; Y322-F326 AromaticContact CD2-CD2 3.88Å; Y322-F326 HydrophobicContact CD2-CD2 3.88Å; Y322-F326 AromaticContact CD2-CE2 3.7Å; Y322-F326 HydrophobicContact CD2-CE2 3.7Å; Y322-F326 AromaticContact CE1-CD2 3.5Å; Y322-F326 HydrophobicContact CE1-CD2 3.5Å; Y322-F326 AromaticContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CG 4.01Å; Y322-F326 AromaticContact CE2-CD2 3.55Å; Y322-F326 HydrophobicContact CE2-CD2 3.55Å; Y322-F326 AromaticContact CE2-CE2 3.08Å; Y322-F326 HydrophobicContact CE2-CE2 3.08Å; Y322-F326 AromaticContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CG-CD2 4.03Å; Y322-F326 HydrophobicContact CG-CE2 4.32Å; Y322-F326 AromaticContact CZ-CD2 3.34Å; Y322-F326 AromaticContact CZ-CE2 3.17Å; Y322-F326 AromaticContact CZ-CZ 3.72Å; Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.35Å; Y322-F326 WeakPolarHBondContact OH-CE2 3.39Å; Y322-F326 WeakPolarHBondContact OH-CZ 3.25Å
323K80.1Confident71.3Confident85 Ų85106.3 Ų106.337%0.3751%0.506SS..Hα-helixtrans-59.5-39.6173.5-78.9177.3-176-1800112F25 L319 R320 D321 Y325 F326 I327F25-K323 VanDerWaalsContact CE1-NZ 3.27Å; L319-K323 WeakPolarHBondContact O-CB 3.41Å; L319-K323 VanDerWaalsContact O-CG 3.27Å; L319-K323 WeakPolarHBondContact O-CG 3.33Å; L319-K323 PolarHBondContact O-N 3.42Å; R320-K323 WeakPolarHBondContact O-CB 3.29Å; R320-K323 PolarHBondContact O-N 3.25Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.9Å; K323-Y325 VanDerWaalsContact C-N 3.28Å; K323-Y325 PolarHBondContact O-N 2.67Å; K323-F326 PolarHBondContact O-N 2.84Å; K323-I327 HydrophobicContact CB-CD1 3.89Å; K323-I327 HydrophobicContact CB-CG1 4.48Å; K323-I327 HydrophobicContact CG-CD1 4.28Å; K323-I327 WeakPolarHBondContact O-CA 3.35Å; K323-I327 WeakPolarHBondContact O-CB 3.4Å; K323-I327 WeakPolarHBondContact O-CG1 3.3Å; K323-I327 PolarHBondContact O-N 3.18Å
324K79.6Confident70.1Confident162 Ų162108.4 Ų108.470%0.70452%0.524SS*.Hα-helixtrans-62.4-32.7176.3-171-179.3177.9-177.50113R320 D321 Y322R320-K324 PolarHBondContact O-N 3.4Å; D321-K324 WeakPolarHBondContact O-CA 3.47Å; D321-K324 VanDerWaalsContact O-CB 3.28Å; D321-K324 WeakPolarHBondContact O-CB 3.32Å; D321-K324 PolarHBondContact O-N 3.37Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.44Å
325Y70.1Confident68.5Low178 Ų178115.3 Ų115.370%0.69854%0.543SS*.Hα-helixtrans-81.3-32.3178-68.2-69.3000113.9D321 Y322 K323D321-Y325 HydrophobicContact CB-CE2 4.39Å; D321-Y325 WeakPolarHBondContact O-CD2 3.33Å; D321-Y325 PolarHBondContact O-N 3.45Å; D321-Y325 VanDerWaalsContact O-N 3.12Å; Y322-Y325 PolarHBondContact O-N 3.48Å; Y322-Y325 VanDerWaalsContact O-N 3.15Å; K323-Y325 VanDerWaalsContact C-N 3.28Å; K323-Y325 PolarHBondContact O-N 2.67Å
326F66.8Low67.2Low136 Ų136118.4 Ų118.460%0.59656%0.562SS**Hα-helixtrans-99.5-25.8-176-77.4-89.2000114.3Y322 K323 T328Y322-F326 AromaticContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CE2 4.4Å; Y322-F326 AromaticContact CD2-CD2 3.88Å; Y322-F326 HydrophobicContact CD2-CD2 3.88Å; Y322-F326 AromaticContact CD2-CE2 3.7Å; Y322-F326 HydrophobicContact CD2-CE2 3.7Å; Y322-F326 AromaticContact CE1-CD2 3.5Å; Y322-F326 HydrophobicContact CE1-CD2 3.5Å; Y322-F326 AromaticContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CG 4.01Å; Y322-F326 AromaticContact CE2-CD2 3.55Å; Y322-F326 HydrophobicContact CE2-CD2 3.55Å; Y322-F326 AromaticContact CE2-CE2 3.08Å; Y322-F326 HydrophobicContact CE2-CE2 3.08Å; Y322-F326 AromaticContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CG-CD2 4.03Å; Y322-F326 HydrophobicContact CG-CE2 4.32Å; Y322-F326 AromaticContact CZ-CD2 3.34Å; Y322-F326 AromaticContact CZ-CE2 3.17Å; Y322-F326 AromaticContact CZ-CZ 3.72Å; Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.35Å; Y322-F326 WeakPolarHBondContact OH-CE2 3.39Å; Y322-F326 WeakPolarHBondContact OH-CZ 3.25Å; K323-F326 PolarHBondContact O-N 2.84Å; F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 3.37Å
327I65.1Low65.5Low80 Ų80121.7 Ų121.741%0.4157%0.574SS.*SBendtrans-77.392166.6-57.8172000105.7K323K323-I327 HydrophobicContact CB-CD1 3.89Å; K323-I327 HydrophobicContact CB-CG1 4.48Å; K323-I327 HydrophobicContact CG-CD1 4.28Å; K323-I327 WeakPolarHBondContact O-CA 3.35Å; K323-I327 WeakPolarHBondContact O-CB 3.4Å; K323-I327 WeakPolarHBondContact O-CG1 3.3Å; K323-I327 PolarHBondContact O-N 3.18Å
328T59.2Low63.8Low83 Ų83122.2 Ų122.251%0.50959%0.586SS.*  trans-49129.9166.9-55.30000107F326 N330 S331F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 3.37Å; T328-N330 HydrophobicContact CG2-CB 3.9Å; T328-N330 PolarHBondContact O-N 2.76Å; T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 VanDerWaalsContact O-N 3.08Å
329P59.1Low61.9Low109 Ų109125.2 Ų125.271%0.70861%0.61SS**THydrogen-bonded Turntrans-59.74.3179.321.6-31.7000114.3
330N56.3Low60.4Low115 Ų115131 Ų13162%0.61563%0.628SS**THydrogen-bonded Turntrans-91.5-11.4175.4-66.6-15.8000114.6T328T328-N330 HydrophobicContact CG2-CB 3.9Å; T328-N330 PolarHBondContact O-N 2.76Å
331S56.4Low58.6Low94 Ų94130.4 Ų130.466%0.65764%0.637SS**SBendtrans-97.2-3.5175.378.30000114.1T328T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 VanDerWaalsContact O-N 3.08Å
332L52.8Low57.1Low137 Ų137135.8 Ų135.872%0.71766%0.66SS**  trans-11653.1174-153.778.9000109.2P334L332-P334 WeakPolarHBondContact O-CD 3.46Å
333Y49.3Very low55.5Low183 Ų183136.1 Ų136.172%0.71867%0.671SS**  trans-68.5114.8156.5-92.1-86.7000106.2Y335Y333-Y335 PolarHBondContact O-N 2.79Å
334P53.4Low53.7Low96 Ų96141.2 Ų141.262%0.62369%0.693SS**  trans-56.9130.816126.5-30.1000105.4L332 Q336L332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-Q336 PolarHBondContact O-N 3.03Å
335Y46.8Very low51.7Low220 Ų220140.3 Ų140.386%0.86369%0.691SS**  trans-61.276.6169.6-156.5-90.7000107.4Y333 K337Y333-Y335 PolarHBondContact O-N 2.79Å; Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 HydrophobicContact CD1-CG 4.36Å; Y335-K337 PolarHBondContact O-N 3.01Å
336Q48.7Very low50.5Low167 Ų167137.5 Ų137.578%0.7869%0.687SS**  trans-65.5101163.9-90.1-174.1-11.400104.4P334 S338P334-Q336 PolarHBondContact O-N 3.03Å; Q336-S338 PolarHBondContact O-N 3.18Å
337K47.6Very low49.1Very low186 Ų186137.6 Ų137.681%0.80969%0.694SS**  trans-48.981.6155.4-81.9175.5172.1173.20107.7Y335 S339Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 HydrophobicContact CD1-CG 4.36Å; Y335-K337 PolarHBondContact O-N 3.01Å; K337-S339 PolarHBondContact O-N 2.84Å
338S45.6Very low48.3Very low83 Ų83143.6 Ų143.658%0.5872%0.72SS**  trans-82.6105.9170.171.40000106.1Q336 Y340Q336-S338 PolarHBondContact O-N 3.18Å; S338-Y340 PolarHBondContact O-N 2.77Å
339S42Very low47.8Very low93 Ų93148 Ų14865%0.6573%0.732SS**  trans-6841.4177.642.40000112.8K337K337-S339 PolarHBondContact O-N 2.84Å
340Y48.7Very low47.1Very low192 Ų192150.1 Ų150.175%0.75374%0.738SS**  trans-122.446.8-179.9-51.5-73.7000112.2S338S338-Y340 PolarHBondContact O-N 2.77Å
341L45.9Very low46.7Very low154 Ų154152.8 Ų152.881%0.80675%0.75SS**  trans-128.821.2160.9-79.4175.6000112.7F344L341-F344 HydrophobicContact CD2-CD2 4.42Å
342Q49.7Very low46.4Very low169 Ų169157 Ų15779%0.7976%0.757SS**SBendtrans-91.35.2179.5-156.1160.92.200114.3
343N42.7Very low46.2Very low137 Ų137157.3 Ų157.373%0.73376%0.759SS**  trans-126.513.7-177-78.5-28.7000116.3H345N343-H345 PolarHBondContact O-N 3.15Å
344F41.4Very low46.2Very low192 Ų192158.6 Ų158.684%0.84277%0.768SS**  trans-86.167.3158.7-73.4-72.3000109.9L341L341-F344 HydrophobicContact CD2-CD2 4.42Å
345H38.7Very low45.8Very low143 Ų143163.5 Ų163.566%0.66278%0.78SS**  trans-51.4132.7162.5-101.4-34.3000111.2N343N343-H345 PolarHBondContact O-N 3.15Å
346I43.5Very low46Very low118 Ų118160 Ų16061%0.60578%0.781SS**  62.8102.4125.5-57.6168.6000116
347N38.4Very low46Very low138 Ų138161.2 Ų161.274%0.73878%0.784SS**  trans135.982.6138.8-77.5-34.6000113
348Q48.3Very low46.1Very low206 Ų206160.4 Ų160.496%0.96379%0.789SS**SBendtrans-111.528.6155.9-76.2-16016.200112.7
349K47.6Very low45.9Very low176 Ų176162.5 Ų162.577%0.76580%0.798SS**SBendtrans-127.5131.8166.8-70.4-178.2179.81750108.4
350N45.7Very low45.9Very low153 Ų153166 Ų16682%0.81881%0.808SS**  trans97.173.4174.6-51.1-24.9000116.4
351I47.8Very low45.9Very low171 Ų171166 Ų16688%0.87781%0.812SS**  trans-139.189.2137.2-53.1-179.6000108.3
352K49.3Very low46.2Very low184 Ų184164.1 Ų164.180%0.881%0.81SS**  trans-84.6136.6155.4-72.7-180177.6177.10107.1
353N48.6Very low46.2Very low142 Ų142163.7 Ų163.776%0.75981%0.812SS**  trans67107.7154-48.1-21.9000117.6
354K49.5Very low46.3Very low211 Ų211165.4 Ų165.492%0.91782%0.816SS**  -174.9137.4116.5-102.9167.3179.91780112
355K46.1Very low46.8Very low199 Ų199164 Ų16487%0.86582%0.817SS**  trans-61.6144.4174.6-62.9163.4172.5174.10111.1
356T50.7Low47.4Very low145 Ų145161.6 Ų161.689%0.8981%0.814SS**  trans-165121.6130370000110.1
357K48.8Very low47.7Very low194 Ų194164.1 Ų164.184%0.84382%0.82SS**  trans-71.3150.1165.6-65.6171.5173.3179.80108.7
358N48.9Very low48.2Very low169 Ų169165.5 Ų165.590%0.90482%0.82SS**  trans-171.5113.6133.3-88.4-15.5000111.1
359T41.2Very low48.1Very low127 Ų127159.6 Ų159.678%0.77980%0.802SS**  trans-87.6141.7167.237.80000110.6
360L42.2Very low48.2Very low165 Ų165162 Ų16286%0.86481%0.807SS**  trans166.4141.9147.1-113.494.1000106.8
361K48.7Very low48Very low193 Ų193162 Ų16284%0.83981%0.807SS**  cis-168.1155.6-24.9-111.7-168180-170.30104.7
362P53.4Low48.1Very low115 Ų115161.4 Ų161.475%0.74780%0.798SS**  trans-105.1169.2-174.739.3-30.9000114.3
363N49.3Very low47.8Very low159 Ų159161.6 Ų161.685%0.8580%0.796SS**  trans-142.6107.1162-84.4-14.6000106.9
364E44.7Very low47.5Very low174 Ų174163 Ų16381%0.81380%0.798SS**  55.7115.491.5-67-158.6-172.400116
365L52.2Low47.1Very low163 Ų163158.8 Ų158.885%0.85379%0.789SS**  -172.5147.8107.6-89.4172.7000112.3
366P51.2Low46.9Very low92 Ų92157 Ų15760%0.59779%0.789SS**  trans-116.4-179.3-16642-30000113.7
367F49.4Very low46.4Very low170 Ų170155.2 Ų155.275%0.74678%0.783SS**  trans-174.1126.8136-91.6-57.1000115.2
368K49.4Very low46.2Very low167 Ų167152.8 Ų152.873%0.72678%0.779SS**  trans61112.1138.7-73.4159.9-178.9174.80120.2
369S44.8Very low46.1Very low83 Ų83151.3 Ų151.358%0.5877%0.771SS**  87.6126.456.574.80000114.3
370Y49.9Very low46.3Very low225 Ų225151.9 Ų151.988%0.88277%0.769SS**  -173135.7118.9-95.4-71.9000111.2
371N42.4Very low46.5Very low154 Ų154151.8 Ų151.882%0.82477%0.77SS**  trans-78.5179.1-169-66.1-50.8000114.7
372K49.9Very low46.3Very low158 Ų158146.5 Ų146.569%0.68776%0.757SS**  160.1115.4105.9-165.4160.5-171.81780116.4
373Y42.7Very low45.9Very low189 Ų189147.3 Ų147.374%0.74176%0.755SS**  trans70.6145.6148.5-54.7-28.1000121.3
374Q42.5Very low45.8Very low172 Ų172145.4 Ų145.480%0.80475%0.745SS**  cis-156.412930.7-103.2146.634.700108.8
375T40.6Very low45.8Very low121 Ų121144.3 Ų144.374%0.74275%0.745SS**  59.5124.989.763.50000120.8
376N41.9Very low45.4Very low161 Ų161139.6 Ų139.686%0.86174%0.736SS**  trans115.5135.2131-87.46.9000123.4
377S41.3Very low45.3Very low108 Ų108143.5 Ų143.576%0.75575%0.752SS**  trans109.996.6149.7-150.90000116.3
378N44Very low45.2Very low143 Ų143142.2 Ų142.277%0.76575%0.753SS**  74.611280-81.3-0.6000115.8
379N46.9Very low45.3Very low139 Ų139141.2 Ų141.274%0.74376%0.755SS**  158.7114.8103.8-100.9-12000115
380N45.4Very low45.4Very low138 Ų138144.4 Ų144.474%0.73877%0.766SS**  27.9125.2129-57-18.7000123
381N45.5Very low45.3Very low163 Ų163141.9 Ų141.987%0.87276%0.764SS**  159.6155.3116.8-99.2-13.9000109.8
382S45.1Very low45.5Very low82 Ų82142.1 Ų142.157%0.57376%0.758SS**  cis171.3142.1-34.7-179.30000104.8
383N45.2Very low45.2Very low133 Ų133143.4 Ų143.471%0.71176%0.759SS**  trans70.3147.5160.4-62.9-20.2000118.5
384N46.6Very low45.5Very low118 Ų118142.9 Ų142.963%0.63176%0.76SS**  cis-169.7152.9-9.8-107.7-25.2000107.7
385N44.6Very low45.6Very low151 Ų151141.8 Ų141.881%0.80776%0.76SS**  trans37.5126.7144.2-56.9-20.8000119.3
386G43.6Very low46Very low65 Ų65145.7 Ų145.767%0.6777%0.767SS**  cis116.5117.236.400000108.6
387N50.6Low46.2Very low174 Ų174145.1 Ų145.193%0.9376%0.764SS**  trans-176.7129.6143.4-97.4-21.3000112.7
388N46.4Very low46.7Very low143 Ų143146.7 Ų146.777%0.76577%0.768SS**  trans-85.9155.8176.6-61.5-44.6000110.6
389N52Low46.7Very low145 Ų145142.7 Ų142.778%0.77576%0.761SS**  163.7114.1120.5-78.5-26.1000114.4
390N46.1Very low47Very low151 Ų151144.1 Ų144.181%0.80777%0.769SS**  45119.7126.7-67.2-25.4000123.3
391M47.5Very low47.2Very low171 Ų171147 Ų14784%0.84278%0.775SS**  -168.1111.8122.1-92.3-145.574.800108.5
392K46.5Very low47.5Very low160 Ų160147.2 Ų147.270%0.69677%0.774SS**  4113691.9-79.2-175175.3171.10113.7
393R43.6Very low47.6Very low185 Ų185151.5 Ų151.570%0.69878%0.782SS**  cis179.9162.3-4.9-109.4178.8-173-174.8-0.6105.4
394F48.9Very low47.9Very low177 Ų177153.4 Ų153.478%0.77679%0.791SS**  trans115.5121.2147.5-72.5-71.4000119.6
395N44.7Very low47.5Very low149 Ų149155 Ų15580%0.79780%0.795SS**  trans-68.4164.3177.1-49.8-55.6000113
396K50.7Low47.5Very low204 Ų204154.8 Ų154.889%0.88780%0.799SS**  -179.4140.3103.8-147.3157.9179.8175.30113
397D45.5Very low47.2Very low149 Ų149156.6 Ų156.680%0.79780%0.802SS**  trans-66.5147175.1-56.3-66.3000114.7
398V51.4Low46.8Very low140 Ų140159.7 Ų159.785%0.84880%0.802SS**  trans-166.5126.1139.1-172.10000104.8
399G43.9Very low46.7Very low60 Ų60160 Ų16062%0.61980%0.804SS**  cis107.481.216.300000110.2
400D53.8Low46.4Very low169 Ų169159 Ų15990%0.90481%0.808SS**  trans-156.8134.3159.3-90.8-33.8000113.6
401K49.8Very low46.3Very low199 Ų199160 Ų16087%0.86581%0.808SS**  trans-107.5140.1-178.4-68.6171.7176.9174.30108.7
402I51.7Low46.4Very low166 Ų166157.8 Ų157.885%0.85181%0.81SS**  trans-135.5115.7155.4-56.5179.5000108.8
403K46.8Very low46.3Very low173 Ų173158.6 Ų158.675%0.75281%0.813SS**  trans-94.5136.7163.7-92.5-178.6164.2-161.60107.1
404L50.7Low46.4Very low172 Ų172157.4 Ų157.490%0.90182%0.815SS**  trans-139.9123.1149.2-82.1175.1000109.8
405E38.8Very low46.2Very low153 Ų153156.4 Ų156.472%0.71581%0.813SS**  trans-81149170.4-66165.1171.400109.1
406T44.6Very low46.2Very low145 Ų145153.5 Ų153.589%0.8980%0.804SS**  trans-165.8121.513338.80000110.6
407S37.3Very low45.9Very low103 Ų103150.3 Ų150.372%0.7280%0.797SS**  trans-71150169.339.70000113.6
408Y42.3Very low46Very low240 Ų240149.3 Ų149.394%0.94179%0.791SS**  trans-148.7118.8143.8-104-80.4000110.7
409N43.5Very low45.6Very low149 Ų149151 Ų15180%0.79779%0.789SS**  trans-82.9149167.5-83.3-25.3000109.6
410S47.3Very low45.4Very low125 Ų125153.4 Ų153.487%0.87480%0.797SS**  trans-160.4117.7143.839.30000110.5
411E43.9Very low45.1Very low171 Ų171150.5 Ų150.580%0.79979%0.789SS**  trans-69.6148.6173.1-68.4156.4116.700111.9
412S49Very low44.7Very low125 Ų125148 Ų14887%0.87479%0.785SS**  trans-149.8132.4137.274.90000110.9
413K44.8Very low44.2Very low176 Ų176147.3 Ų147.377%0.76578%0.782SS**  trans-95.3154.5176.2-61.9172.8177.4174.20108.4
414H45.6Very low44Very low161 Ų161146.1 Ų146.175%0.74578%0.784SS**  trans-174.6111.5140.2-100.6-73.9000107.5
415E43.9Very low43.7Very low156 Ų156145.7 Ų145.773%0.72978%0.778SS**  75.897.5106.5-82.1-179.8166.400112.4
416S44.9Very low44Very low88 Ų88147.3 Ų147.362%0.61579%0.786SS**  63.8114.284.766.40000113.2
417D45.5Very low44.1Very low137 Ų137147.2 Ų147.273%0.73378%0.778SS**  171.4136.7113.5-90.2-14.1000115.7
418L47.6Very low44.6Very low128 Ų128151.4 Ų151.467%0.6778%0.783SS**  trans68.4108.8142.9-57.4164.7000120.7
419H43Very low45Very low175 Ų175150.4 Ų150.481%0.8178%0.779SS**  168.4110.199.1-86.7-64.3000112
420S39.8Very low45Very low111 Ų111148 Ų14878%0.77677%0.774SS**  trans-82140.6164.248.10000111.3
421S46.8Very low45.1Very low107 Ų107151.9 Ų151.975%0.74878%0.775SS**  175.3129126.156.40000113.5
422N41.8Very low45.7Very low146 Ų146151.3 Ų151.378%0.78177%0.772SS**  trans50.1116138.4-79.7-37.2000120.4
423L39.5Very low45.6Very low152 Ų152154.3 Ų154.380%0.79677%0.77SS**  -158.4109.7112.6-153.765.1000111.7
424N43.3Very low45.9Very low148 Ų148154 Ų15479%0.79178%0.777SS**  trans-67.4127.1159.7-97.5-43.3000108.9
425Q45.3Very low46.7Very low164 Ų164155.5 Ų155.577%0.76678%0.781SS**  trans-150.8116149.7-111.7170.865.300110.7
426Q44Very low47.5Very low187 Ų187153.6 Ų153.687%0.87478%0.782SS**  trans-62.8127.4171.3-68.8170.9-1200110.1
427I46.2Very low48.3Very low143 Ų143156.8 Ų156.873%0.73379%0.791SS**  trans-132.8102.1151.8-60-177.9000108Y429I427-Y429 HydrophobicContact CG2-CD2 3.7Å; I427-Y429 HydrophobicContact CG2-CE2 4.22Å
428K49.2Very low49.1Very low190 Ų190157.3 Ų157.383%0.82679%0.792SS**  trans-69.4116.4159.4-77.7171.6173.3173.20107.6
429Y49.5Very low49.6Very low220 Ų220158.1 Ų158.186%0.86380%0.796SS**  trans-156.1136.9148.7-80.4-63.9000112.3I427I427-Y429 HydrophobicContact CG2-CD2 3.7Å; I427-Y429 HydrophobicContact CG2-CE2 4.22Å
430S44.6Very low50.3Low98 Ų98160.7 Ų160.769%0.68580%0.798SS**  trans72.487149.2-1640000119.3
431K49.7Very low51.2Low207 Ų207164.4 Ų164.490%0.980%0.803SS**  trans-80.1104.7143-79.8176.6175.5176.50108
432Q55.5Low51.9Low158 Ų158168.3 Ų168.374%0.73881%0.81SS**  trans-168149.1158.1-106.8161.814.900107.3
433F47.4Very low52.5Low189 Ų189166.5 Ų166.583%0.82981%0.809SS**  trans88.362.1-176.2-51.9-75.7000116.9
434N51.6Low53.5Low170 Ų170164.9 Ų164.991%0.90981%0.807SS**  trans-12495.5140.1-91.9-26.5000107.5
435K60.9Low54.2Low191 Ų191165.7 Ų165.783%0.8381%0.812SS**  trans-124.6126.1162.9-78.2-173.8179.4-179.20107.8I437K435-I437 PolarHBondContact O-N 3.33Å
436P61Low54.4Low116 Ų116165.8 Ų165.875%0.75382%0.817SS**  trans-67.313117726.8-31.9000110.1I438P436-I438 PolarHBondContact O-N 3.48Å
437I61.4Low54.9Low156 Ų156169 Ų16980%0.882%0.822SS**  trans-73.6111.9171.4-64.5171.3000107.5K435 I439K435-I437 PolarHBondContact O-N 3.33Å; I437-I439 HydrophobicContact CG2-CG1 4.14Å
438I63.1Low55Low148 Ų148167.2 Ų167.276%0.75982%0.822SS**  trans-84.8107.8169.9-61.7173.8000107.2P436 R440P436-I438 PolarHBondContact O-N 3.48Å; I438-R440 PolarHBondContact O-N 2.87Å
439I59.2Low54.7Low145 Ų145163.5 Ų163.574%0.74482%0.82SS**  trans-79.6105.9171-59.5176.3000107.6I437 Q441I437-I439 HydrophobicContact CG2-CG1 4.14Å; I439-Q441 PolarHBondContact O-N 3.06Å
440R56.9Low54.7Low228 Ų228158.7 Ų158.786%0.8682%0.818SS**  trans-74.4111.8165.6-97.4-177.1173.3-170.6-2.1108.6I438 Q442I438-R440 PolarHBondContact O-N 2.87Å; R440-Q442 PolarHBondContact O-N 2.85Å
441Q58.2Low54.7Low189 Ų189159.9 Ų159.988%0.88383%0.826SS**  trans-67.5123.6162.1-72.6-179.1-4.800108.9I439I439-Q441 PolarHBondContact O-N 3.06Å
442Q60.9Low54.6Low189 Ų189155.7 Ų155.788%0.88382%0.823SS**  trans-91.7115.3167.9-69-175.9-4.600108.2R440R440-Q442 PolarHBondContact O-N 2.85Å
443S55.4Low54.3Low108 Ų108153.1 Ų153.176%0.75582%0.823SS**PPolyproline II helixtrans-71.7148.6165.8-79.80000110.7
444P59.8Low54.3Low119 Ų119149.3 Ų149.377%0.77382%0.82SS**PPolyproline II helixtrans-78.2141.2-172.931.2-33.4000112.2
445N59.4Low54.2Low165 Ų165146 Ų14688%0.88281%0.81SS**PPolyproline II helixtrans-70124.5174.8-80.6-28.8000111.5
446N49.3Very low53.7Low165 Ų165142.5 Ų142.588%0.88281%0.809SS**PPolyproline II helixtrans-64.9128.2162.6-71.5-34.1000110
447R53.1Low52.8Low255 Ų255140.4 Ų140.496%0.96281%0.809SS**  trans-120.5113.3163.5-124.1-178.9-176-167.60.4108.4
448S50.2Low52.3Low105 Ų105137.1 Ų137.173%0.73480%0.8SS**  trans-83.3137.6179.6410000112
449S42.4Very low51.8Low112 Ų112138.3 Ų138.378%0.78380%0.8SS**  trans53.8114.6139.662.50000120.1
450S48.3Very low51.3Low119 Ų119137.9 Ų137.983%0.83280%0.799SS**  -158.7118.6124.454.20000110
451S45.4Very low51.1Low123 Ų123132.8 Ų132.886%0.8680%0.798SS**  trans-65.1138.2170.846.90000112.7
452S48.5Very low50.9Low119 Ų119129.4 Ų129.483%0.83280%0.795SS**  trans-157.5118.5145.352.60000109.3
453S47.8Very low50.7Low105 Ų105126.2 Ų126.273%0.73479%0.791SS**  trans-71.1171.1178.346.30000113.4
454S47.7Very low51Low109 Ų109130 Ų13076%0.76280%0.797SS**  trans68139.1158.346.20000116.2
455S48.8Very low50.6Low100 Ų100132 Ų13270%0.69980%0.8SS**  cis-174.1144.65.543.40000107
456S50.5Low50.4Low117 Ų117128.8 Ų128.882%0.81879%0.791SS**  trans38.6132.8142.862.50000121.1
457G43.4Very low50.8Low72 Ų72128.3 Ų128.374%0.74279%0.787SS**  121.781.3128.300000116.4
458S50.4Low51Low87 Ų87129.5 Ų129.561%0.60880%0.799SS**  50.8141.3119.6-145.40000122.8
459F52.6Low51Low173 Ų173130.7 Ų130.776%0.75980%0.802SS**  trans90.5104.3151.5-58.9-61.3000119.4
460N49.3Very low51.5Low137 Ų137131.7 Ų131.773%0.73380%0.803SS**  70.3139.9121.3-65.7-12.5000121
461S51.2Low51.7Low120 Ų120132.4 Ų132.484%0.83980%0.801SS**  trans99.396.7148.9-510000117.1
462S54.5Low52Low118 Ų118132.9 Ų132.983%0.82580%0.798SS**  trans-94.7174146-65.30000109
463P57.1Low52.2Low122 Ų122133.8 Ų133.879%0.79280%0.795SS**  -132.4152.1-61.436-20.4000111.4
464E60.9Low52.5Low187 Ų187135.7 Ų135.787%0.87480%0.8SS**  trans-108.2123.2166.5-91.5-167.3153.300112
465L51.8Low52.9Low162 Ų162137.6 Ų137.685%0.84880%0.802SS**  trans8.9131.9136.5-70145.7000118.2
466S54.8Low53.2Low98 Ų98140.5 Ų140.569%0.68581%0.81SS**  159.9117108.7-170.20000113
467I57.5Low53.4Low155 Ų155142.5 Ų142.580%0.79581%0.809SS**  trans54.5112.5134.3-51.9170.5000119.2
468K57.6Low54.3Low279 Ų279148.9 Ų148.9100%1.21382%0.816SS**  -146.80120.9-110.2178.9-174.9178.50110.4

Retrieved 468 of 468 residues in 62.3 ms (Link to these results)