A0A3Q0KD48_SCHMA Loading...

YTH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KD48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low40.8Very low236 Ų236144.7 Ų144.7100%1.16383%0.834SS**  0125.30-64.5-166.6121.400107.7
2P41.4Very low40.9Very low135 Ų135146.9 Ų146.988%0.87784%0.841SS**PPolyproline II helixtrans-78.2133.1-179.5-5.623.3000110.6
3A43.3Very low40.1Very low105 Ų105153.6 Ų153.687%0.86884%0.844SS**PPolyproline II helixtrans-68.6148.3-172.600000113.8
4E47.9Very low40Very low185 Ų185156.9 Ų156.986%0.86485%0.846SS**PPolyproline II helixtrans-68.3147.2-171-64.4173.7148.600113.8I6E4-I6 PolarHBondContact O-N 3.14Å
5K45.6Very low39.3Very low200 Ų200157.3 Ų157.387%0.8785%0.847SS**PPolyproline II helixtrans-66.2117.7173.5-70.2-179.9175.3-169.20110T7K5-T7 PolarHBondContact O-N 3.22Å
6I49.2Very low39.3Very low141 Ų141159.3 Ų159.372%0.72385%0.85SS**  trans-89.3106.8165.8-60.7172.1000107.8E4 H8E4-I6 PolarHBondContact O-N 3.14Å; I6-H8 WeakPolarHBondContact CG2-NE2 3.46Å
7T37.7Very low38.9Very low109 Ų109160.2 Ų160.267%0.66985%0.848SS**  trans-87.3115.4170.8-56.30000108.1K5K5-T7 PolarHBondContact O-N 3.22Å
8H44.5Very low38.4Very low178 Ų178162.6 Ų162.682%0.82485%0.845SS**  trans-100.4111.4166.9-82.6-73000109.6I6I6-H8 WeakPolarHBondContact CG2-NE2 3.46Å
9C32.6Very low38.1Very low116 Ų116160.7 Ų160.778%0.78485%0.847SS**  trans-106.1144168.3-69.10000109.4
10G33.8Very low37.9Very low68 Ų68160.7 Ų160.770%0.70185%0.847SS**  trans11699.2167.200000112
11S32.6Very low37.7Very low119 Ų119162.2 Ų162.283%0.83285%0.849SS**  72.682.865.8-57.70000113.4
12D41.5Very low37.4Very low171 Ų171155.6 Ų155.691%0.91483%0.832SS**  trans-134.6116.6155.9-84.4-45.1000111
13R31Very low36.7Very low234 Ų234152.4 Ų152.488%0.88382%0.824SS**  trans-72.5132.9173.2-72.3171.4158.1132.7-6.3109.6
14K38.6Very low36.2Very low200 Ų200156 Ų15687%0.8783%0.825SS**  trans-140.2111139.7-82.3-162.8176.5177.50109.8E16K14-E16 PolarHBondContact O-N 2.98Å
15N30.1Very low35.4Very low162 Ų162155.1 Ų155.187%0.86682%0.821SS**  trans-61.2118.9159.6-74.9-8.4000107.6
16E38.7Very low34.8Very low190 Ų190153.9 Ų153.989%0.88882%0.818SS**  trans-112.8136151.7-85.1179.5167.400108.4K14K14-E16 PolarHBondContact O-N 2.98Å
17E32.2Very low34.1Very low174 Ų174153.6 Ų153.681%0.81382%0.823SS**  trans-101.8128.9-153.5-177.4176.1169.300108.6
18Y30.2Very low34Very low204 Ų204155.4 Ų155.480%0.883%0.828SS**  trans29.3110.4146.5-68.2-98.6000118.7
19S33.1Very low33.5Very low127 Ų127151.9 Ų151.989%0.88883%0.83SS**  trans-145.6108136.1-87.70000111.5Q21S19-Q21 PolarHBondContact O-N 3.07Å
20L33.3Very low33.5Very low160 Ų160152.9 Ų152.984%0.83883%0.826SS**  trans-34.8112.8164.2-65.8146.3000113.4
21Q34.5Very low33.3Very low192 Ų192156.4 Ų156.490%0.89783%0.829SS**  trans-117.792.2148.5-162.597.630.200106.6S19S19-Q21 PolarHBondContact O-N 3.07Å
22A33.7Very low33.3Very low98 Ų98159.7 Ų159.781%0.8183%0.828SS**  trans-59.7135.5171.600000110.5
23G26.4Very low33.1Very low68 Ų68158.2 Ų158.270%0.70182%0.82SS**  trans137.964.4163.300000114.8
24M33.4Very low33.2Very low179 Ų179152.3 Ų152.388%0.88282%0.815SS**  trans-175.182.5154.9-98.8163.8-16300102.6
25E30.7Very low33.1Very low167 Ų167147.5 Ų147.578%0.7881%0.807SS**  46.6139.298.3-64.8-166173.700111.9
26H33.7Very low33.4Very low174 Ų174145.6 Ų145.681%0.80680%0.801SS**  trans86.970.1-171.5-35.8-58.4000114.1
27T34.6Very low33.2Very low136 Ų136141.8 Ų141.883%0.83479%0.791SS**  trans-142.7117.7142.3-27.80000109.6A29T27-A29 PolarHBondContact O-N 3.26Å
28D34Very low33.5Very low146 Ų146138.4 Ų138.478%0.78178%0.782SS**  trans-46.9100.1175-60-72000111I30D28-I30 HydrophobicContact CB-CG1 4.49Å; D28-I30 PolarHBondContact O-N 3.47Å
29A34.1Very low33.7Very low104 Ų104133.2 Ų133.286%0.8677%0.772SS**  trans-73.883.5168.500000108.3T27 N31T27-A29 PolarHBondContact O-N 3.26Å; A29-N31 PolarHBondContact O-N 3.41Å
30I33.8Very low33.9Very low138 Ų138136 Ų13671%0.70877%0.768SS**  trans-60.7124168.1-67.2166.6000108.7D28D28-I30 HydrophobicContact CB-CG1 4.49Å; D28-I30 PolarHBondContact O-N 3.47Å
31N29.6Very low33.9Very low142 Ų142135.6 Ų135.676%0.75976%0.762SS**  trans56.994.6158.7-73.5-39.6000117.6A29A29-N31 PolarHBondContact O-N 3.41Å
32K32.3Very low34Very low188 Ų188131.7 Ų131.782%0.81775%0.753SS**  trans-163.1125.4132.7-110.1159.7-179.3174.10111.4
33D36.3Very low34.1Very low139 Ų139134.1 Ų134.174%0.74375%0.752SS**  trans76.134.7146.1-46.9-28.8000119.6S35D33-S35 PolarHBondContact O-N 3.04Å
34S34.8Very low34.6Very low110 Ų110136.5 Ų136.577%0.76975%0.753SS**  trans-73.271.4146.970.20000108.6T36S34-T36 PolarHBondContact O-N 3.5Å; S34-T36 PolarHBondContact O-OG1 3.25Å
35S35.5Very low34.9Very low100 Ų100135.3 Ų135.370%0.69975%0.75SS**  trans-64.382165.5-164.90000106.6D33 T37D33-S35 PolarHBondContact O-N 3.04Å; S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.01Å
36T36.3Very low35.2Very low122 Ų122133.2 Ų133.275%0.74875%0.749SS**  trans-63.294.3169.8-190000105.4S34 V38S34-T36 PolarHBondContact O-N 3.5Å; S34-T36 PolarHBondContact O-OG1 3.25Å; T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 PolarHBondContact O-N 3.41Å
37T35.1Very low35.1Very low110 Ų110131.5 Ų131.568%0.67575%0.746SS**  trans-6696.1175.3-58.90000105.5S35 T39S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.01Å; T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 3.35Å
38V39Very low35.5Very low102 Ų102130.8 Ų130.862%0.61874%0.743SS**  trans-71.496169.2-176.50000105.3T36 F40T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 PolarHBondContact O-N 3.41Å; V38-F40 VanDerWaalsContact O-CD2 3.26Å; V38-F40 WeakPolarHBondContact O-CD2 3.28Å; V38-F40 PolarHBondContact O-N 2.95Å
39T33.3Very low35.4Very low96 Ų96126.6 Ų126.659%0.58973%0.734SS**  trans-63.3102.6171.7-53.70000107.6T37 H41T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 3.35Å; T39-H41 PolarHBondContact O-N 2.95Å; T39-H41 VanDerWaalsContact O-N 3.14Å
40F37.2Very low35.5Very low185 Ų185128.7 Ų128.781%0.81173%0.731SS**  trans-65.9111.1170.8-71.6-88.9000107.8V38 P42V38-F40 VanDerWaalsContact O-CD2 3.26Å; V38-F40 WeakPolarHBondContact O-CD2 3.28Å; V38-F40 PolarHBondContact O-N 2.95Å; F40-P42 WeakPolarHBondContact O-CD 3.14Å
41H34Very low35.4Very low152 Ų152125.7 Ų125.770%0.70473%0.734SS**  trans-78.2110.3163.2-70.7-81.2000107.5T39 N43T39-H41 PolarHBondContact O-N 2.95Å; T39-H41 VanDerWaalsContact O-N 3.14Å; H41-N43 PolarHBondContact O-N 2.77Å
42P36.2Very low35.9Very low109 Ų109124.7 Ų124.771%0.70873%0.733SS**  trans-70.689.2166.330.7-32.3000106.7F40 T44F40-P42 WeakPolarHBondContact O-CD 3.14Å; P42-T44 PolarHBondContact O-N 3.3Å
43N36.7Very low36.3Very low150 Ų150120.5 Ų120.580%0.80272%0.723SS**  trans-67.394.3158.4-77.6-26.5000105.9H41 D45H41-N43 PolarHBondContact O-N 2.77Å; N43-D45 PolarHBondContact O-N 3.31Å
44T35.7Very low36.5Very low118 Ų118120.9 Ų120.972%0.72473%0.725SS**  trans-6371.3167.144.50000108.8P42P42-T44 PolarHBondContact O-N 3.3Å
45D39.3Very low36.8Very low153 Ų153123.7 Ų123.782%0.81872%0.724SS**  trans-124.176.9157.1-131.1-18.6000106.5N43 N47N43-D45 PolarHBondContact O-N 3.31Å; D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 2.86Å
46V36.8Very low37.1Very low124 Ų124125.6 Ų125.675%0.75273%0.726SS**  trans-68.487.1-178.2-176.40000107.2P48V46-P48 WeakPolarHBondContact O-CD 3.5Å
47N32.6Very low37.3Very low138 Ų138126 Ų12674%0.73872%0.724SS**  trans-10592.9161.9-149.6-26.1000107.5D45 G49D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 2.86Å; N47-G49 PolarHBondContact O-N 2.94Å
48P42Very low37.5Very low120 Ų120131 Ų13178%0.77973%0.73SS**THydrogen-bonded Turntrans-74.319.5-168.530.2-33.8000113.9V46V46-P48 WeakPolarHBondContact O-CD 3.5Å
49G33.6Very low37.9Very low58 Ų58131.7 Ų131.760%0.59873%0.734SS**THydrogen-bonded Turntrans-97.9-18.4-175.500000116N47N47-G49 PolarHBondContact O-N 2.94Å
50N34.7Very low38.3Very low149 Ų149133.9 Ų133.980%0.79774%0.738SS**  trans-126.334.8-167.9-82.346.8000113.3V52N50-V52 PolarHBondContact O-N 3.08Å
51G33.1Very low38.3Very low75 Ų75127.5 Ų127.577%0.77372%0.716SS**  trans-70.663.6168.800000111.6T53G51-T53 PolarHBondContact O-N 3.11Å
52V38.8Very low39Very low121 Ų121125.9 Ų125.973%0.73372%0.722SS**  trans-81.686.2152.8-166.10000103.5N50 D54N50-V52 PolarHBondContact O-N 3.08Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.42Å
53T40.5Very low39.3Very low99 Ų99130.4 Ų130.461%0.60773%0.731SS**  trans-53.2106.3157.5350000105.4G51 F55G51-T53 PolarHBondContact O-N 3.11Å; T53-F55 HydrophobicContact CG2-CE2 4.28Å; T53-F55 PolarHBondContact O-N 3.12Å; T53-F55 WeakPolarHBondContact OG1-CD2 3.2Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.18Å
54D41Very low39.8Very low148 Ų148126.5 Ų126.579%0.79171%0.714SS**  trans-59.577.3154.6-84.6-30.9000105.3V52 D56V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.42Å; D54-D56 PolarHBondContact O-N 2.99Å
55F41.3Very low40Very low169 Ų169124.4 Ų124.474%0.74170%0.704SS**  trans-57.4105.3150.5-84.5-86.5000102.5T53 N57T53-F55 HydrophobicContact CG2-CE2 4.28Å; T53-F55 PolarHBondContact O-N 3.12Å; T53-F55 WeakPolarHBondContact OG1-CD2 3.2Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.18Å; F55-N57 PolarHBondContact O-N 2.99Å
56D41.5Very low39.8Very low140 Ų140119.3 Ų119.375%0.74969%0.687SS**  trans-51.966.3153.7-87.9-45.1000107.5D54 R58D54-D56 PolarHBondContact O-N 2.99Å; D56-R58 PolarHBondContact O-N 3.01Å
57N40.4Very low40.1Very low129 Ų129122.8 Ų122.869%0.6970%0.695SS**  trans-7368.3160.3-155.925.4000102.9F55 V59F55-N57 PolarHBondContact O-N 2.99Å; N57-V59 PolarHBondContact O-N 3.44Å
58R40.5Very low40.5Very low216 Ų216123 Ų12382%0.81570%0.696SS**  trans-54.984.4151.4-79.1-175.1175.2-159.9-0.5103.4D56 E60D56-R58 PolarHBondContact O-N 3.01Å; R58-E60 PolarHBondContact O-N 3.05Å
59V46.4Very low40.4Very low116 Ų116121.7 Ų121.770%0.70370%0.696SS**  trans-60.793.1159.3176.90000102.4N57 C61N57-V59 PolarHBondContact O-N 3.44Å; V59-C61 PolarHBondContact O-N 3.25Å
60E41.5Very low40.5Very low142 Ų142127.7 Ų127.766%0.66471%0.708SS**  trans-54.1110.1178.1-173.2171-174.800106.4R58 S62 C65R58-E60 PolarHBondContact O-N 3.05Å; E60-S62 PolarHBondContact O-N 2.88Å; E60-C65 WeakPolarHBondContact CG-SG 3.3Å; E60-C65 PolarHBondContact OE1-SG 3.34Å
61C37Very low40.7Very low52 Ų52125 Ų12535%0.35170%0.701SS.*  trans-64.2105.3-178.2164.20000107V59 F63 C64 C65V59-C61 PolarHBondContact O-N 3.25Å; C61-F63 PolarHBondContact O-N 2.98Å; C61-C64 HydrophobicContact CB-CB 3.56Å; C61-C64 WeakPolarHBondContact CB-SG 3.12Å; C61-C64 PolarHBondContact O-N 2.63Å; C61-C64 WeakPolarHBondContact SG-CB 3.49Å; C61-C64 PolarHBondContact SG-N 2.9Å; C61-C64 CovalentContact SG-SG 2.06Å; C61-C64 PolarHBondContact SG-SG 3.27Å; C61-C65 PolarHBondContact O-N 2.68Å
62S48.8Very low40.8Very low117 Ų117131.1 Ų131.182%0.81871%0.709SS**THydrogen-bonded Turntrans-59.7-13.1179.2-48.80000113.6E60E60-S62 PolarHBondContact O-N 2.88Å
63F43.4Very low40.6Very low205 Ų205130.3 Ų130.390%0.89971%0.709SS**THydrogen-bonded Turntrans-95.5-8.7174.1-86.1-83.8000114.5C61C61-F63 PolarHBondContact O-N 2.98Å
64C46.1Very low40.3Very low67 Ų67128.8 Ų128.845%0.45371%0.713SS.*THydrogen-bonded Turntrans-110.3-13.8-175.8-46.50000112.3C61 G66C61-C64 HydrophobicContact CB-CB 3.56Å; C61-C64 WeakPolarHBondContact CB-SG 3.12Å; C61-C64 PolarHBondContact O-N 2.63Å; C61-C64 WeakPolarHBondContact SG-CB 3.49Å; C61-C64 PolarHBondContact SG-N 2.9Å; C61-C64 CovalentContact SG-SG 2.06Å; C61-C64 PolarHBondContact SG-SG 3.27Å; C64-G66 PolarHBondContact O-N 2.69Å
65C40.6Very low40.2Very low75 Ų75131.1 Ų131.151%0.50772%0.719SS.*  trans-84.225.6179.2-62.60000114E60 C61 E67E60-C65 WeakPolarHBondContact CG-SG 3.3Å; E60-C65 PolarHBondContact OE1-SG 3.34Å; C61-C65 PolarHBondContact O-N 2.68Å; C65-E67 PolarHBondContact O-N 3.39Å
66G36Very low40.2Very low46 Ų46134.3 Ų134.347%0.47473%0.726SS.*  trans-81.8113.7167.800000108.7C64 N68 A69C64-G66 PolarHBondContact O-N 2.69Å; G66-N68 PolarHBondContact O-N 2.93Å; G66-A69 PolarHBondContact O-N 2.71Å
67E42.1Very low40.3Very low197 Ų197131.4 Ų131.492%0.92172%0.717SS**THydrogen-bonded Turntrans-53.54.7172.4-144.2173.7162.900114.6C65C65-E67 PolarHBondContact O-N 3.39Å
68N42.4Very low40.4Very low141 Ų141128.7 Ų128.775%0.75471%0.708SS**THydrogen-bonded Turntrans-116.525.9-178.3-61.5-38000112.7G66 E70G66-N68 PolarHBondContact O-N 2.93Å; N68-E70 PolarHBondContact O-N 2.98Å
69A39.5Very low40.6Very low93 Ų93126.7 Ų126.777%0.76971%0.707SS**  trans-73.934.4171.300000112.6G66G66-A69 PolarHBondContact O-N 2.71Å
70E35.9Very low40.4Very low185 Ų185128.8 Ų128.886%0.86471%0.709SS**  trans-94.576.1161.7-65.9-168.6140.700107.5N68N68-E70 PolarHBondContact O-N 2.98Å
71S37.3Very low40.3Very low93 Ų93132 Ų13265%0.6572%0.715SS**  trans-147.976.1172.2-67.30000108.6S73S71-S73 PolarHBondContact O-N 2.72Å
72E35.1Very low40.6Very low202 Ų202135.2 Ų135.294%0.94473%0.733SS**  trans465.3134.5-153.6177.5-150.400116.4
73S35.7Very low40.2Very low105 Ų105136 Ų13673%0.73472%0.724SS**SBendtrans179.3114.4153.848.10000110.2S71S71-S73 PolarHBondContact O-N 2.72Å
74G33.8Very low40.2Very low66 Ų66132.2 Ų132.268%0.6872%0.718SS**  trans68.391.4165.200000112.8R76G74-R76 PolarHBondContact O-N 2.86Å
75Q38.7Very low39.8Very low197 Ų197138.4 Ų138.492%0.92173%0.732SS**  trans-49.185.8148.9-73.2-175.8-39.600108.6S77Q75-S77 PolarHBondContact O-N 3.13Å
76R41.3Very low39.9Very low236 Ų236140.7 Ų140.789%0.89175%0.745SS**  trans-69.672.3152.2-71.6176.3165.7-101.6-1.2103.8G74 C78G74-R76 PolarHBondContact O-N 2.86Å; R76-C78 PolarHBondContact O-N 3.08Å
77S44.8Very low40.2Very low80 Ų80143.1 Ų143.156%0.55976%0.755SS**  trans-50.3112.6168.160.70000104.6Q75 Q79Q75-S77 PolarHBondContact O-N 3.13Å; S77-Q79 VanDerWaalsContact C-N 3.27Å; S77-Q79 PolarHBondContact O-N 3.27Å
78C42.3Very low40Very low72 Ų72140 Ų14049%0.48675%0.745SS.*  trans-55.197.4178.6-66.30000106.9R76 H80R76-C78 PolarHBondContact O-N 3.08Å; C78-H80 WeakPolarHBondContact CB-NE2 3.36Å; C78-H80 PolarHBondContact O-CE1 2.63Å; C78-H80 PolarHBondContact O-N 2.9Å; C78-H80 PolarHBondContact O-ND1 2.75Å; C78-H80 PolarHBondContact O-NE2 3.49Å
79Q43.6Very low40Very low173 Ų173139 Ų13981%0.80874%0.744SS**  trans-77.288.2174.5-90-178.8-8.400105.9S77 W81S77-Q79 VanDerWaalsContact C-N 3.27Å; S77-Q79 PolarHBondContact O-N 3.27Å; Q79-W81 PolarHBondContact O-N 3.37Å; Q79-W81 VanDerWaalsContact O-N 3.14Å
80H43.1Very low39.9Very low160 Ų160145.4 Ų145.474%0.74175%0.749SS**  trans-67.3106.9173.6-34.697.6000107.8C78 T82C78-H80 WeakPolarHBondContact CB-NE2 3.36Å; C78-H80 PolarHBondContact O-CE1 2.63Å; C78-H80 PolarHBondContact O-N 2.9Å; C78-H80 PolarHBondContact O-ND1 2.75Å; C78-H80 PolarHBondContact O-NE2 3.49Å; H80-T82 PolarHBondContact O-N 2.76Å
81W38.8Very low40.1Very low209 Ų209145.1 Ų145.179%0.79275%0.747SS**  trans-82.5104.6164.347.2-84.2000107.2Q79 Q83Q79-W81 PolarHBondContact O-N 3.37Å; Q79-W81 VanDerWaalsContact O-N 3.14Å; W81-Q83 HydrophobicContact CE3-CB 4.22Å; W81-Q83 HydrophobicContact CZ3-CB 4.08Å; W81-Q83 PolarHBondContact O-N 3.47Å; W81-Q83 VanDerWaalsContact O-N 3.12Å
82T43.6Very low40.2Very low120 Ų120144.6 Ų144.674%0.73675%0.748SS**  trans-72106.9169.8-50.70000107.4H80 V84H80-T82 PolarHBondContact O-N 2.76Å; T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 2.95Å
83Q39.6Very low40.5Very low133 Ų133143.5 Ų143.562%0.62174%0.743SS**  trans-65.797.3168.8-169.9174.43100107.8W81 R85W81-Q83 HydrophobicContact CE3-CB 4.22Å; W81-Q83 HydrophobicContact CZ3-CB 4.08Å; W81-Q83 PolarHBondContact O-N 3.47Å; W81-Q83 VanDerWaalsContact O-N 3.12Å; Q83-R85 PolarHBondContact O-N 2.85Å
84V43.8Very low40.9Very low127 Ų127147.8 Ų147.877%0.7775%0.749SS**  trans-64.290.2172.6-175.80000107T82 P86T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 2.95Å; V84-P86 WeakPolarHBondContact O-CD 3.35Å
85R38.7Very low41.5Very low197 Ų197153.7 Ų153.774%0.74376%0.755SS**  trans-64.9128168.5-76-171.2176.3-1750.6106.4Q83 S87Q83-R85 PolarHBondContact O-N 2.85Å; R85-S87 PolarHBondContact O-N 3.21Å
86P41.3Very low41.9Very low122 Ų122153.9 Ų153.979%0.79275%0.753SS**  trans-6393.8168.624.7-30.1000107V84 N88V84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-N88 PolarHBondContact O-N 2.77Å; P86-N88 VanDerWaalsContact O-N 3.16Å
87S42.6Very low42.2Very low98 Ų98150.8 Ų150.869%0.68575%0.754SS**  trans-58.7123.7171.3-174.10000106.3R85 T89R85-S87 PolarHBondContact O-N 3.21Å; S87-T89 PolarHBondContact O-N 2.91Å; S87-T89 PolarHBondContact O-OG1 3.33Å; S87-T89 VanDerWaalsContact O-OG1 3.1Å
88N38.8Very low42Very low131 Ų131158.7 Ų158.770%0.70177%0.771SS**  trans-62.376.9-174.8-166.8-14.2000109.4P86 R90P86-N88 PolarHBondContact O-N 2.77Å; P86-N88 VanDerWaalsContact O-N 3.16Å; N88-R90 PolarHBondContact O-N 3.26Å
89T41Very low41.7Very low121 Ų121158.3 Ų158.374%0.74278%0.779SS**  trans-79.756.9177.624.70000109.5S87 Q91S87-T89 PolarHBondContact O-N 2.91Å; S87-T89 PolarHBondContact O-OG1 3.33Å; S87-T89 VanDerWaalsContact O-OG1 3.1Å; T89-Q91 PolarHBondContact O-N 3.43Å
90R37.6Very low41.8Very low227 Ų227157.8 Ų157.886%0.85778%0.781SS**  trans-782.5165.6-95.4-177.8168.7-114.70.7113.2N88N88-R90 PolarHBondContact O-N 3.26Å
91Q40Very low41.7Very low178 Ų178159 Ų15983%0.83279%0.787SS**  trans-121.211.7-175.1-70.4-159.9-3.400116.4T89 Q93T89-Q91 PolarHBondContact O-N 3.43Å; Q91-Q93 PolarHBondContact O-N 3.32Å
92A40.2Very low42Very low82 Ų82155.9 Ų155.968%0.67879%0.786SS**  trans-78.177.5161.600000108.9K94A92-K94 VanDerWaalsContact C-N 3.3Å; A92-K94 PolarHBondContact O-N 3Å
93Q41.6Very low41.8Very low179 Ų179153.3 Ų153.384%0.83678%0.783SS**  trans-54.196.9163.9-66.7-169.2-6.200107.8Q91 K95Q91-Q93 PolarHBondContact O-N 3.32Å; Q93-K95 PolarHBondContact O-N 2.79Å
94K43.9Very low41.4Very low196 Ų196154.8 Ų154.885%0.85279%0.79SS**  trans-64.689.7163.8-76.4-173175.2-176.70106.8A92 K96A92-K94 VanDerWaalsContact C-N 3.3Å; A92-K94 PolarHBondContact O-N 3Å; K94-K96 PolarHBondContact O-N 2.61Å
95K46.9Very low41.5Very low189 Ų189154 Ų15482%0.82279%0.787SS**  trans-37.8114147.9-86.4177.7171.3175.90105.8Q93 L97Q93-K95 PolarHBondContact O-N 2.79Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 3.29Å
96K45.9Very low41.5Very low202 Ų202150.8 Ų150.888%0.87879%0.785SS**  trans-59.299.6170.7-72.2174.4176.6177.90106.1K94 R98K94-K96 PolarHBondContact O-N 2.61Å; K96-R98 PolarHBondContact O-N 2.93Å
97L47.4Very low41.4Very low171 Ų171150 Ų15090%0.89578%0.78SS**  trans-64.891.8163-89.5156.3000106.2K95 G99K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 3.29Å; L97-G99 PolarHBondContact O-N 3.45Å
98R41.7Very low41.2Very low246 Ų246149.2 Ų149.293%0.92877%0.774SS**  trans-58.2117161.5-159.4-176.7-162.6-167.33.7105.2K96K96-R98 PolarHBondContact O-N 2.93Å
99G35.7Very low41.2Very low63 Ų63153.5 Ų153.565%0.64978%0.781SS**  trans13622.1167.400000119L97 Q101L97-G99 PolarHBondContact O-N 3.45Å; G99-Q101 VanDerWaalsContact C-N 3.31Å
100L45.5Very low40.9Very low162 Ų162158 Ų15885%0.84879%0.786SS**  trans-100.970.3153.9-65.6-179.4000108.3N102L100-N102 PolarHBondContact O-N 2.96Å
101Q40.6Very low40.9Very low186 Ų186152.3 Ų152.387%0.86978%0.776SS**  trans-7749.9170.6-160.6176.420.200109.2G99 G103G99-Q101 VanDerWaalsContact C-N 3.31Å; Q101-G103 VanDerWaalsContact C-N 3.33Å; Q101-G103 PolarHBondContact O-N 3.07Å
102N46.9Very low40.6Very low144 Ų144152.8 Ų152.877%0.7778%0.778SS**  trans-9484.6163.3-68.6-7.9000104.6L100 H104L100-N102 PolarHBondContact O-N 2.96Å; N102-H104 PolarHBondContact O-N 3.49Å; N102-H104 VanDerWaalsContact O-N 3.1Å
103G37.6Very low40.5Very low66 Ų66153.9 Ų153.968%0.6878%0.781SS**  trans-45.9120.9173.900000108.5Q101 P105Q101-G103 VanDerWaalsContact C-N 3.33Å; Q101-G103 PolarHBondContact O-N 3.07Å; G103-P105 WeakPolarHBondContact O-CD 3.26Å; G103-P105 VanDerWaalsContact O-N 3.14Å
104H31.7Very low40.2Very low163 Ų163156.2 Ų156.276%0.75578%0.782SS**  trans-58.4114.6170.5-171.9-64.1000106.5N102 D106N102-H104 PolarHBondContact O-N 3.49Å; N102-H104 VanDerWaalsContact O-N 3.1Å; H104-D106 PolarHBondContact O-N 2.96Å
105P45.8Very low39.7Very low111 Ų111154.4 Ų154.472%0.72178%0.781SS**  trans-62.8117.5172.224.6-29.6000106.9G103 P107G103-P105 WeakPolarHBondContact O-CD 3.26Å; G103-P105 VanDerWaalsContact O-N 3.14Å; P105-P107 WeakPolarHBondContact O-CD 3.37Å
106D38.3Very low39.1Very low129 Ų129150.9 Ų150.969%0.6978%0.776SS**  trans-59.4120.8175.2-149.3-28.2000107.4H104 S108H104-D106 PolarHBondContact O-N 2.96Å; D106-S108 PolarHBondContact O-N 2.89Å
107P40.8Very low38.7Very low106 Ų106151 Ų15169%0.68878%0.777SS**SBendtrans-7122.5-172.525.3-31.8000114.6P105P105-P107 WeakPolarHBondContact O-CD 3.37Å
108S37.9Very low38.4Very low81 Ų81150.5 Ų150.557%0.56677%0.77SS**  trans-111.650.6-172.559.80000113D106D106-S108 PolarHBondContact O-N 2.89Å
109R38Very low38Very low221 Ų221146 Ų14683%0.83476%0.764SS**  trans-161.264.7167.6-108.1166.8-123.6-121.18.7111.8T111R109-T111 PolarHBondContact O-N 3.5Å
110Y34.8Very low38.1Very low217 Ų217148.8 Ų148.885%0.85177%0.768SS**  trans-70.175.7157.2-89.1-91.4000108.7
111T37.8Very low37.7Very low107 Ų107147.9 Ų147.966%0.65676%0.764SS**  trans-98.8111.7161.751.10000107.4R109 S113R109-T111 PolarHBondContact O-N 3.5Å; T111-S113 PolarHBondContact O-N 3.46Å
112H34.5Very low37.6Very low187 Ų187145.9 Ų145.987%0.86676%0.758SS**  trans-55.7102.7171.8-76.634000109.7
113S36.7Very low37.1Very low106 Ų106147.2 Ų147.274%0.74176%0.76SS**  trans-127.1121.6163.661.50000109.6T111T111-S113 PolarHBondContact O-N 3.46Å
114R36.7Very low37Very low228 Ų228154.6 Ų154.686%0.8677%0.767SS**  trans-49.9140.2-178.9-66.7166.8177.7171.4-2.2112.5
115N32.5Very low37.2Very low157 Ų157153 Ų15384%0.8477%0.772SS**  trans47.885.5144.9-60.1-18.2000117.3
116T34.6Very low36.9Very low115 Ų115154.2 Ų154.271%0.70678%0.777SS**  trans-129.3110.7148.6-34.10000108.7E118T116-E118 HydrophobicContact CG2-CG 3.93Å; T116-E118 PolarHBondContact O-N 3.18Å
117K37.5Very low36.8Very low206 Ų206157.6 Ų157.690%0.89679%0.786SS**  trans-85.581.9-177.6-159.2175.6-173.3-179.10106.4N119K117-N119 PolarHBondContact O-N 3.26Å
118E39.9Very low36.5Very low160 Ų160159.8 Ų159.875%0.74879%0.792SS**  trans-91.6101.4178.7-65.5-169.6-172.700109.6T116 T120T116-E118 HydrophobicContact CG2-CG 3.93Å; T116-E118 PolarHBondContact O-N 3.18Å; E118-T120 PolarHBondContact O-N 2.91Å
119N34.6Very low36.3Very low150 Ų150159.3 Ų159.380%0.80280%0.799SS**  trans-55.1113.8170.9-83.7-14.4000109.7K117K117-N119 PolarHBondContact O-N 3.26Å
120T38.1Very low36Very low122 Ų122156.5 Ų156.575%0.74880%0.801SS**  trans-10099.8159.5-46.80000107.8E118 I122E118-T120 PolarHBondContact O-N 2.91Å; T120-I122 HydrophobicContact CG2-CG1 4.23Å; T120-I122 PolarHBondContact O-N 3.2Å
121D37.1Very low36Very low143 Ų143151 Ų15177%0.76579%0.794SS**  trans-60.691.7170.4-112.5-34.6000109.6
122I38.6Very low35.8Very low145 Ų145153.9 Ų153.974%0.74480%0.804SS**  trans-97.893.3165.1-57.1178.7000106.7T120 R124T120-I122 HydrophobicContact CG2-CG1 4.23Å; T120-I122 PolarHBondContact O-N 3.2Å; I122-R124 PolarHBondContact O-N 2.84Å
123Q34.8Very low35.9Very low171 Ų171152 Ų15280%0.79980%0.8SS**  trans-59.8103.2172.3-68.7178.58.700109.5
124R36.1Very low35.7Very low221 Ų221150.6 Ų150.683%0.83480%0.802SS**  trans-87125159.2-102-176.3177.1-137.30.1107.8I122 T126I122-R124 PolarHBondContact O-N 2.84Å; R124-T126 PolarHBondContact O-N 2.81Å
125P35.5Very low35.5Very low131 Ų131148 Ų14885%0.85180%0.804SS**  trans-60.7114.7178.122.9-29.9000109F127P125-F127 PolarHBondContact O-N 2.83Å
126T40.4Very low35.7Very low135 Ų135145.3 Ų145.383%0.82880%0.798SS**  trans-79.1114.3176.6-200000106.9R124 N128R124-T126 PolarHBondContact O-N 2.81Å; T126-N128 PolarHBondContact O-N 2.9Å
127F35.3Very low35.7Very low201 Ų201147.6 Ų147.688%0.88280%0.802SS**  trans-66.6124.8176.7-161.9-102000108.6P125 G129P125-F127 PolarHBondContact O-N 2.83Å; F127-G129 PolarHBondContact O-N 3.3Å
128N35.3Very low35.6Very low152 Ų152148.4 Ų148.481%0.81380%0.8SS**  trans-6094.7-179.9-74.4-23.6000110.9T126T126-N128 PolarHBondContact O-N 2.9Å
129G33.3Very low35.3Very low70 Ų70147.2 Ų147.272%0.72280%0.799SS**  trans-10598.1165.700000109.1F127 S131F127-G129 PolarHBondContact O-N 3.3Å; G129-S131 PolarHBondContact O-N 2.91Å
130N32.9Very low35.6Very low162 Ų162145.9 Ų145.987%0.86680%0.798SS**  trans-60.5112.5171.8-67.8-0.7000110
131S32.9Very low35.4Very low102 Ų102144.5 Ų144.571%0.71379%0.794SS**  trans-165.6102.7145.8-155.50000109G129 D133G129-S131 PolarHBondContact O-N 2.91Å; S131-D133 PolarHBondContact O-N 3.35Å
132I33.6Very low35.4Very low167 Ų167147 Ų14786%0.85680%0.8SS**  trans-81.9101.6168.6-62161.5000104.7
133D38.2Very low35.2Very low149 Ų149146 Ų14680%0.79780%0.802SS**  trans-154.9117.4161.6-88.7-40.1000110.8S131S131-D133 PolarHBondContact O-N 3.35Å
134G31.4Very low35.1Very low75 Ų75144.5 Ų144.577%0.77380%0.799SS**  trans77.685.813300000117.7S136G134-S136 PolarHBondContact O-N 3.46Å
135L33.6Very low34.9Very low174 Ų174140.6 Ų140.691%0.91180%0.8SS**  trans-35.6118.3151.2-65.3155.1000112.7
136S35.4Very low34.9Very low100 Ų100139.1 Ų139.170%0.69979%0.793SS**  trans-141.986149.61790000109.8G134 R138G134-S136 PolarHBondContact O-N 3.46Å; S136-R138 PolarHBondContact O-N 2.97Å
137M35.6Very low34.6Very low163 Ų163140 Ų14080%0.80379%0.793SS**  trans-60.478.5162.1-69.7-91.5-68.400109.9
138R35.8Very low34.6Very low223 Ų223136.1 Ų136.184%0.84279%0.79SS**  trans-103.497.6156.8-95.6-175.6172.9167.3-0.8107.5S136 P140S136-R138 PolarHBondContact O-N 2.97Å; R138-P140 WeakPolarHBondContact O-CD 3.11Å
139N32.2Very low34.3Very low135 Ų135133.3 Ų133.372%0.72279%0.788SS**  trans-50.2117.5160.4-70.7-47.9000107.6S141N139-S141 VanDerWaalsContact C-N 3.32Å; N139-S141 PolarHBondContact O-N 3.46Å
140P42.2Very low34.6Very low123 Ų123134.3 Ų134.380%0.79979%0.789SS**  trans-66.2104.7160.126.5-28.1000106.2R138 E142R138-P140 WeakPolarHBondContact O-CD 3.11Å; P140-E142 PolarHBondContact O-N 3.07Å
141S34.2Very low35Very low93 Ų93131.2 Ų131.265%0.6578%0.78SS**  trans-46.3131162.844.40000109.4N139 T143N139-S141 VanDerWaalsContact C-N 3.32Å; N139-S141 PolarHBondContact O-N 3.46Å; S141-T143 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-OG1 3.49Å
142E35.4Very low35.4Very low194 Ų194137 Ų13791%0.90779%0.787SS**  trans-34.292.6168.2-60.8172.3173.700111.1P140P140-E142 PolarHBondContact O-N 3.07Å
143T34.9Very low35.7Very low125 Ų125137.4 Ų137.477%0.76778%0.782SS**  trans-100.5105.7172.6-52.20000106.2S141 T145S141-T143 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-OG1 3.49Å; T143-T145 PolarHBondContact O-N 3.4Å
144N33.8Very low35.7Very low140 Ų140139.2 Ų139.275%0.74978%0.783SS**  trans-39.1127177.3-76.1-60.1000112.4S146N144-S146 PolarHBondContact O-N 2.94Å; N144-S146 PolarHBondContact O-OG 2.94Å
145T31Very low36Very low139 Ų139141.2 Ų141.285%0.85378%0.784SS**  trans-31.398.5167.1-48.60000112.1T143T143-T145 PolarHBondContact O-N 3.4Å
146S35.4Very low36.3Very low100 Ų100139.2 Ų139.270%0.69977%0.774SS**  trans-112.560.2165.9-590000108.5N144N144-S146 PolarHBondContact O-N 2.94Å; N144-S146 PolarHBondContact O-OG 2.94Å
147N33.3Very low36.3Very low154 Ų154145.7 Ų145.782%0.82478%0.783SS**  trans-103.768.4160.1-83.5-19.5000108.1A149N147-A149 PolarHBondContact O-N 3.29Å
148S35.5Very low36.6Very low119 Ų119145.6 Ų145.683%0.83278%0.779SS**  trans-69.377.5155-56.30000107.7A150S148-A150 PolarHBondContact O-N 3.33Å
149A29.9Very low36.7Very low92 Ų92140.5 Ų140.576%0.7678%0.777SS**  trans-65.1119.616000000107.3N147 S151N147-A149 PolarHBondContact O-N 3.29Å; A149-S151 PolarHBondContact O-N 2.98Å
150A39.1Very low37.1Very low91 Ų91141.7 Ų141.775%0.75278%0.778SS**  trans-59.5103.8177.600000109.8S148 R152S148-A150 PolarHBondContact O-N 3.33Å; A150-R152 PolarHBondContact O-N 2.93Å
151S40.8Very low36.8Very low97 Ų97141 Ų14168%0.67878%0.777SS**  trans-64.8107169.3-1790000108.2A149 F153A149-S151 PolarHBondContact O-N 2.98Å; S151-F153 PolarHBondContact O-N 3.46Å
152R42.5Very low36.9Very low225 Ų225141.4 Ų141.485%0.84978%0.779SS**SBendtrans-69.318.3-177.1-69.6-175.7173.2178.9-2.4114.5A150A150-R152 PolarHBondContact O-N 2.93Å
153F40.1Very low36.8Very low174 Ų174139.6 Ų139.676%0.76378%0.775SS**  trans-13360.1-176.8-60.3-74.8000111.2S151S151-F153 PolarHBondContact O-N 3.46Å
154K37.4Very low36.8Very low188 Ų188141.9 Ų141.982%0.81778%0.775SS**  trans-111.883.9152.4-76.3-174.8172.7-177.10106.8D156K154-D156 PolarHBondContact O-N 3.32Å; K154-D156 VanDerWaalsContact O-N 3.14Å
155C38Very low37Very low117 Ų117143 Ų14379%0.79178%0.781SS**  trans-68.1107.3162.8-62.30000106.1R157C155-R157 PolarHBondContact O-N 2.91Å; C155-R157 VanDerWaalsContact O-N 3.07Å
156D39.9Very low37.1Very low131 Ų131140.7 Ų140.770%0.70178%0.776SS**  trans-55.2113.8170.1-75.9-46.2000108.5K154 F158K154-D156 PolarHBondContact O-N 3.32Å; K154-D156 VanDerWaalsContact O-N 3.14Å; D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 HydrophobicContact CB-CE2 4.26Å; D156-F158 WeakPolarHBondContact O-CD2 3.49Å; D156-F158 PolarHBondContact O-N 2.86Å
157R35.5Very low37.2Very low236 Ų236142 Ų14289%0.89178%0.782SS**  trans-73.290.1178.3-160.3175.5-162.71663.4106.7C155 S159C155-R157 PolarHBondContact O-N 2.91Å; C155-R157 VanDerWaalsContact O-N 3.07Å; R157-S159 PolarHBondContact O-N 2.93Å
158F41.7Very low37.3Very low161 Ų161141.3 Ų141.371%0.70678%0.783SS**  trans-63.2103.4170.8-76.1-81.9000108.9D156 H160D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 HydrophobicContact CB-CE2 4.26Å; D156-F158 WeakPolarHBondContact O-CD2 3.49Å; D156-F158 PolarHBondContact O-N 2.86Å; F158-H160 VanDerWaalsContact C-N 3.29Å; F158-H160 PolarHBondContact O-N 2.99Å
159S38.4Very low37.2Very low116 Ų116141 Ų14181%0.81178%0.781SS**  trans-66.585.4167.8-66.80000109R157 S161R157-S159 PolarHBondContact O-N 2.93Å; S159-S161 PolarHBondContact O-N 2.84Å
160H40.4Very low37.6Very low161 Ų161143.8 Ų143.875%0.74578%0.783SS**  trans-85.6109.5165.7-72.6-60.6000109.4F158F158-H160 VanDerWaalsContact C-N 3.29Å; F158-H160 PolarHBondContact O-N 2.99Å
161S35.6Very low37.3Very low109 Ų109144.4 Ų144.476%0.76279%0.789SS**  trans-52.1132.3172.353.40000111.7S159 N163S159-S161 PolarHBondContact O-N 2.84Å; S161-N163 PolarHBondContact O-N 2.91Å
162S36.3Very low37Very low101 Ų101147.3 Ų147.371%0.70679%0.792SS**  trans-20.6115.1153.9-179.70000113.4
163N33.2Very low36.5Very low155 Ų155146.1 Ų146.183%0.82980%0.796SS**  trans-119.4107153.3-134.40000108S161 N165S161-N163 PolarHBondContact O-N 2.91Å; N163-N165 PolarHBondContact O-N 2.89Å
164K36.2Very low36.3Very low174 Ų174143.3 Ų143.376%0.75779%0.793SS**  trans-59.1127.5167.5-62.5169.2175.4178.40107.1
165N36.9Very low36.2Very low163 Ų163143 Ų14387%0.87279%0.791SS**  trans-153.3119.8147.3-90.5-21.9000108.7N163N163-N165 PolarHBondContact O-N 2.89Å
166A32.8Very low36Very low91 Ų91143.5 Ų143.575%0.75279%0.794SS**  trans-75.6170.1-179.200000111
167P37.4Very low36Very low128 Ų128144 Ų14483%0.83180%0.795SS**  trans-86.1139.7-157.333.7-31.8000112.3
168T36.2Very low36.1Very low138 Ų138137.7 Ų137.785%0.84779%0.793SS**  trans-114.6120.3163.950.30000109
169S33.4Very low36Very low112 Ų112134 Ų13478%0.78379%0.787SS**  trans-65.5127.5164.250.20000109.2
170N37Very low36.1Very low151 Ų151135.4 Ų135.481%0.80779%0.786SS**  trans-145119.5151.4-109.2-21.2000109.7E172N170-E172 PolarHBondContact O-N 3.04Å
171A33Very low36.1Very low105 Ų105133.3 Ų133.387%0.86879%0.789SS**  trans-78108.1169.300000107.6
172E34.5Very low36.7Very low158 Ų158133.1 Ų133.174%0.73879%0.788SS**  trans-135.4106.3166.4-128.5168.4137.500109.4N170 T174N170-E172 PolarHBondContact O-N 3.04Å; E172-T174 PolarHBondContact O-N 3.29Å; E172-T174 VanDerWaalsContact O-N 3.11Å
173Q32.9Very low36.9Very low200 Ų200133.3 Ų133.394%0.93579%0.789SS**  trans-66.1101.3168.3-77177.15.800108.3
174T36.4Very low37.5Very low115 Ų115131.9 Ų131.971%0.70679%0.788SS**  trans-124.4127164.7-53.50000110.5E172E172-T174 PolarHBondContact O-N 3.29Å; E172-T174 VanDerWaalsContact O-N 3.11Å
175K33.9Very low38.2Very low180 Ų180127.5 Ų127.578%0.78378%0.784SS**  trans-14.7149.2173.8-93.1171.1168.8173.20119.1I177K175-I177 PolarHBondContact O-N 3.41Å; K175-I177 VanDerWaalsContact O-N 3.08Å
176P34.8Very low38.7Very low129 Ų129125.1 Ų125.184%0.83878%0.777SS**  trans-70.9105.6-179.931-32.9000110.3
177I40.5Very low39.3Very low142 Ų142126.5 Ų126.573%0.72878%0.782SS**  trans-89.4111.2165-64.8169.1000106.5K175 S179K175-I177 PolarHBondContact O-N 3.41Å; K175-I177 VanDerWaalsContact O-N 3.08Å; I177-S179 PolarHBondContact O-N 3.21Å
178A36.1Very low39.6Very low102 Ų102126.7 Ų126.784%0.84378%0.78SS**  trans-58.5100.9166.300000108.4
179S40.3Very low40.1Very low84 Ų84124.7 Ų124.759%0.58777%0.772SS**  trans-148.3109.2171.6-74.30000108.2I177I177-S179 PolarHBondContact O-N 3.21Å
180N40.2Very low40.7Very low146 Ų146124.5 Ų124.578%0.78177%0.771SS**  trans46.293.9150-53.6-13.1000114.1S182N180-S182 PolarHBondContact O-N 2.06Å; N180-S182 PolarHBondContact O-OG 2.93Å
181S41.3Very low41.1Very low117 Ų117123.3 Ų123.382%0.81876%0.764SS**  trans-52.787.3165.655.20000109.7S183S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 2.95Å; S181-S183 VanDerWaalsContact O-N 3.08Å
182S46.4Very low41.4Very low105 Ų105125.8 Ų125.873%0.73476%0.762SS**  trans-72.697.2163.6-54.70000104N180N180-S182 PolarHBondContact O-N 2.06Å; N180-S182 PolarHBondContact O-OG 2.93Å
183S41.9Very low42Very low104 Ų104123.7 Ų123.773%0.72776%0.762SS**PPolyproline II helixtrans-49.1127.8174.3-63.40000108.2S181 A185S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 2.95Å; S181-S183 VanDerWaalsContact O-N 3.08Å; S183-A185 PolarHBondContact O-N 3.08Å
184P45.1Very low42.3Very low126 Ų126121.2 Ų121.282%0.81876%0.756SS**PPolyproline II helixtrans-57.1120.9179.721-30.1000108.3
185A51.6Low42.4Very low81 Ų81119.1 Ų119.167%0.66976%0.756SS**PPolyproline II helixtrans-57.5136.5170.300000107.7S183 S187S183-A185 PolarHBondContact O-N 3.08Å; A185-S187 PolarHBondContact O-N 2.72Å
186P47.1Very low42.9Very low113 Ų113117.6 Ų117.673%0.73475%0.752SS**PPolyproline II helixtrans-59.1117.6-179.423.5-32000108.8V188P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.89Å
187S44.9Very low43.4Very low121 Ų121118.4 Ų118.485%0.84675%0.749SS**  trans-61.299.6164.7-57.10000106.9A185 S189A185-S187 PolarHBondContact O-N 2.72Å; S187-S189 VanDerWaalsContact C-N 3.32Å; S187-S189 PolarHBondContact O-N 3.34Å
188V44Very low43.7Very low132 Ų132119.8 Ų119.880%0.875%0.75SS**  trans-64.297.3168.8-88.40000107.1P186 S190P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.89Å; V188-S190 PolarHBondContact O-N 3.14Å
189S46.8Very low44.1Very low96 Ų96119.8 Ų119.867%0.67174%0.744SS**  trans-63.1105.5162.5-147.30000105.7S187 D191S187-S189 VanDerWaalsContact C-N 3.32Å; S187-S189 PolarHBondContact O-N 3.34Å; S189-D191 PolarHBondContact O-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 3.1Å
190S45.8Very low44.4Very low108 Ų108122.1 Ų122.176%0.75575%0.75SS**  trans-74.460171.944.60000109.4V188V188-S190 PolarHBondContact O-N 3.14Å
191D45Very low44.7Very low126 Ų126121.7 Ų121.767%0.67475%0.748SS**  trans-100.789.1167.1-65.7-51.4000106.3S189 P193S189-D191 PolarHBondContact O-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 3.1Å; D191-P193 WeakPolarHBondContact O-CD 3.31Å
192L39.6Very low45.1Very low156 Ų156125 Ų12582%0.81774%0.742SS**  trans-74.6109.4167.2-72.5152.8000108.4
193P47.3Very low45.1Very low114 Ų114125.4 Ų125.474%0.7474%0.74SS**  trans-98.3104.9140.930.8-27.1000107D191 G195D191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-G195 PolarHBondContact O-N 3.05Å
194N40Very low45.2Very low149 Ų149127.7 Ų127.780%0.79774%0.737SS**  trans-41.3134.4159.8-94.3-11.5000110.7
195G38.3Very low45.6Very low70 Ų70126.6 Ų126.672%0.72273%0.73SS**  trans69.981.4148.500000115.8P193P193-G195 PolarHBondContact O-N 3.05Å
196H43.1Very low45.5Very low148 Ų148134.1 Ų134.169%0.68574%0.742SS**  trans-117.491.1138.2-152.361.5000107.2F198H196-F198 HydrophobicContact CB-CE2 4.49Å; H196-F198 WeakPolarHBondContact O-CD2 3.48Å; H196-F198 PolarHBondContact O-N 3.29Å
197D45.7Very low45.6Very low146 Ų146138 Ų13878%0.78174%0.743SS**  trans-53.9100.2154.9-75.8-47.7000105.6S199D197-S199 PolarHBondContact O-N 3.25Å
198F46.6Very low45.6Very low172 Ų172136.7 Ų136.775%0.75474%0.739SS**  trans-63.780.2163.4-79.9-90.7000106H196 D200H196-F198 HydrophobicContact CB-CE2 4.49Å; H196-F198 WeakPolarHBondContact O-CD2 3.48Å; H196-F198 PolarHBondContact O-N 3.29Å; F198-D200 PolarHBondContact O-N 3.11Å
199S45.6Very low45.7Very low102 Ų102138.6 Ų138.671%0.71374%0.739SS**  trans-54.5102.5151.3-77.50000104.1D197 N201D197-S199 PolarHBondContact O-N 3.25Å; S199-N201 PolarHBondContact O-N 3.42Å
200D45.5Very low45.7Very low132 Ų132143.1 Ų143.171%0.70675%0.747SS**  trans-5683.3167.5-100.3-38.6000106.8F198 R202F198-D200 PolarHBondContact O-N 3.11Å; D200-R202 PolarHBondContact O-N 3.12Å
201N47.3Very low45.7Very low138 Ų138142.5 Ų142.574%0.73874%0.742SS**  trans-77.236176.6-154.120.5000109.1S199 T203S199-N201 PolarHBondContact O-N 3.42Å; N201-T203 PolarHBondContact O-N 3.03Å; N201-T203 PolarHBondContact OD1-OG1 3.48Å
202R50.2Low45.7Very low185 Ų185141.8 Ų141.870%0.69875%0.747SS**  trans-74.472.5158.7-62.2-173.9-173.8-154-0.1105.8D200 F204D200-R202 PolarHBondContact O-N 3.12Å; R202-F204 HydrophobicContact CB-CD2 4.37Å; R202-F204 HydrophobicContact CB-CE2 4.08Å; R202-F204 WeakPolarHBondContact O-CD2 3.43Å; R202-F204 PolarHBondContact O-N 2.97Å
203T45.5Very low45.9Very low114 Ų114143 Ų14370%0.69974%0.741SS**  trans-60.685.1157.3-62.40000105.7N201N201-T203 PolarHBondContact O-N 3.03Å; N201-T203 PolarHBondContact OD1-OG1 3.48Å
204F45.4Very low45.5Very low152 Ų152142.7 Ų142.767%0.66774%0.742SS**  trans-54.3134.2163.5-73.7-81.8000106R202 R206R202-F204 HydrophobicContact CB-CD2 4.37Å; R202-F204 HydrophobicContact CB-CE2 4.08Å; R202-F204 WeakPolarHBondContact O-CD2 3.43Å; R202-F204 PolarHBondContact O-N 2.97Å; F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 3.44Å
205P52.8Low45.8Very low103 Ų103143.4 Ų143.467%0.66974%0.738SS**  trans-55.3100.2172-2130.8000107.6Y207P205-Y207 PolarHBondContact O-N 2.93Å
206R48.7Very low46.2Very low240 Ų240151.2 Ų151.291%0.90675%0.745SS**  trans-66.998.4168-71.5-171-179.7-175.31.6103.9F204 A208F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 3.44Å; R206-A208 PolarHBondContact O-N 3.01Å; R206-A208 VanDerWaalsContact O-N 3.08Å
207Y50.4Low45.9Very low194 Ų194148.9 Ų148.976%0.76175%0.746SS**  trans-49123.1168.1-71.3-82.7000106.6P205 H209P205-Y207 PolarHBondContact O-N 2.93Å; Y207-H209 VanDerWaalsContact C-N 3.29Å; Y207-H209 PolarHBondContact O-N 2.95Å
208A44.9Very low45.7Very low93 Ų93147.3 Ų147.377%0.76975%0.747SS**  trans-58.6100.5175.300000107.1R206 K210R206-A208 PolarHBondContact O-N 3.01Å; R206-A208 VanDerWaalsContact O-N 3.08Å; A208-K210 VanDerWaalsContact C-N 3.31Å; A208-K210 PolarHBondContact O-N 2.73Å
209H44.7Very low45.2Very low173 Ų173144.6 Ų144.680%0.80174%0.744SS**  trans-61.1106.3165.4-68.3-75.2000104.8Y207 S211Y207-H209 VanDerWaalsContact C-N 3.29Å; Y207-H209 PolarHBondContact O-N 2.95Å; H209-S211 PolarHBondContact O-N 2.94Å
210K48Very low44.7Very low191 Ų191148.3 Ų148.383%0.8375%0.75SS**  trans-61.783.2161.5-65.1178.5174.2-1720105.6A208 S212A208-K210 VanDerWaalsContact C-N 3.31Å; A208-K210 PolarHBondContact O-N 2.73Å; K210-S212 VanDerWaalsContact C-N 3.26Å; K210-S212 PolarHBondContact O-N 3.36Å; K210-S212 PolarHBondContact O-OG 2.95Å
211S44.9Very low44.1Very low94 Ų94146.7 Ų146.766%0.65776%0.755SS**  trans-69.194.1169.9-178.10000105.9H209 R213H209-S211 PolarHBondContact O-N 2.94Å; S211-R213 PolarHBondContact O-N 3.14Å
212S46.4Very low43.4Very low112 Ų112146.8 Ų146.878%0.78376%0.756SS**  trans-71.318.8177.2-39.50000112.8K210 S214K210-S212 VanDerWaalsContact C-N 3.26Å; K210-S212 PolarHBondContact O-N 3.36Å; K210-S212 PolarHBondContact O-OG 2.95Å; S212-S214 PolarHBondContact O-N 2.99Å
213R42.5Very low42.6Very low181 Ų181146.4 Ų146.468%0.68376%0.762SS**  trans-101.278.4-177.9-76.3176.6166.5-113.52.6109.1S211 F215S211-R213 PolarHBondContact O-N 3.14Å; R213-F215 VanDerWaalsContact C-N 3.25Å; R213-F215 HydrophobicContact CB-CD2 4.15Å; R213-F215 HydrophobicContact CB-CE2 3.91Å; R213-F215 PolarHBondContact O-N 3.31Å
214S39.9Very low41.9Very low108 Ų108145.7 Ų145.776%0.75576%0.762SS**  trans-66.793155.6520000107.6S212 R216S212-S214 PolarHBondContact O-N 2.99Å; S214-R216 VanDerWaalsContact C-N 3.33Å; S214-R216 PolarHBondContact O-N 3.39Å
215F44.8Very low41.5Very low164 Ų164146.3 Ų146.372%0.71977%0.772SS**  trans-69.2100.9160.6-73.3-81.6000106.4R213 S217R213-F215 VanDerWaalsContact C-N 3.25Å; R213-F215 HydrophobicContact CB-CD2 4.15Å; R213-F215 HydrophobicContact CB-CE2 3.91Å; R213-F215 PolarHBondContact O-N 3.31Å; F215-S217 PolarHBondContact O-N 3.14Å
216R47.2Very low40.6Very low233 Ų233149 Ų14988%0.87978%0.78SS**  trans-65.785.3160.3-69-167.8177.8-166-0.1106.8S214 S218S214-R216 VanDerWaalsContact C-N 3.33Å; S214-R216 PolarHBondContact O-N 3.39Å; R216-S218 PolarHBondContact O-N 2.97Å
217S37Very low40.2Very low100 Ų100145.5 Ų145.570%0.69978%0.779SS**  trans-82.485.8161.4-137.40000106.2F215 T219F215-S217 PolarHBondContact O-N 3.14Å; S217-T219 PolarHBondContact O-N 3.43Å
218S41.7Very low39.3Very low113 Ų113144 Ų14479%0.7978%0.784SS**  trans-73.277.2163.952.30000107.4R216R216-S218 PolarHBondContact O-N 2.97Å
219T36.5Very low38.9Very low114 Ų114144.5 Ų144.570%0.69978%0.782SS**  trans-102.7102.3162.6-9.30000105.6S217 A221S217-T219 PolarHBondContact O-N 3.43Å; T219-A221 PolarHBondContact O-N 2.8Å
220Q34.3Very low38.3Very low180 Ų180144.2 Ų144.284%0.84178%0.781SS**  trans-51.1101.4167.5-71.4172.5-27.500108.1N222Q220-N222 VanDerWaalsContact C-N 3.35Å; Q220-N222 PolarHBondContact O-N 2.94Å
221A34Very low37.6Very low98 Ų98146 Ų14681%0.8178%0.782SS**  trans-74.4101.6157.300000105.3T219T219-A221 PolarHBondContact O-N 2.8Å
222N30.8Very low37.2Very low141 Ų141147 Ų14775%0.75479%0.789SS**  trans-97.780.9-176.9-162.314.2000106.6Q220Q220-N222 VanDerWaalsContact C-N 3.35Å; Q220-N222 PolarHBondContact O-N 2.94Å
223E35.3Very low36.5Very low177 Ų177148.6 Ų148.683%0.82779%0.789SS**  trans-14291.6170.7-65.4-174.8151.800104.9
224S30.5Very low36.2Very low99 Ų99144.7 Ų144.769%0.69280%0.796SS**  66.677.292.2-62.30000112.4
225D37.2Very low35.8Very low165 Ų165144.5 Ų144.588%0.88279%0.794SS**  trans-131.595.3150.4-88.3-41.7000108.4L227D225-L227 PolarHBondContact O-N 3.07Å; D225-L227 VanDerWaalsContact O-N 3.14Å
226D33.9Very low35.5Very low159 Ų159142.3 Ų142.385%0.8580%0.796SS**  trans-63.996.7167.7-78.2-55.3000110.2
227L40Very low34.9Very low166 Ų166137.6 Ų137.687%0.86979%0.793SS**  trans-130.882.2158-84.9168.3000110.3D225 S229D225-L227 PolarHBondContact O-N 3.07Å; D225-L227 VanDerWaalsContact O-N 3.14Å; L227-S229 PolarHBondContact O-N 2.91Å; L227-S229 VanDerWaalsContact O-N 3.14Å
228N31.7Very low34.6Very low163 Ų163138.8 Ų138.887%0.87280%0.797SS**  trans-47.9105.6156.2179.312.9000110.7
229S34.8Very low34.3Very low103 Ų103139.6 Ų139.672%0.7280%0.797SS**  trans-150104.7159.8-155.60000112.1L227L227-S229 PolarHBondContact O-N 2.91Å; L227-S229 VanDerWaalsContact O-N 3.14Å
230Q33.2Very low33.8Very low167 Ų167138 Ų13878%0.7880%0.803SS**  trans64.397.6143.4-57.3-131.8-34.200119.3S232Q230-S232 PolarHBondContact O-N 2.96Å
231R32.3Very low33.6Very low229 Ų229133 Ų13386%0.86480%0.799SS**  trans-25.6120136.4-87.6171.8156.2-170.9-4.6112.7
232S37.8Very low33.5Very low115 Ų115132.9 Ų132.980%0.80480%0.798SS**  trans-132.8105.5147.4-68.30000107.7Q230 A234Q230-S232 PolarHBondContact O-N 2.96Å; S232-A234 PolarHBondContact O-N 2.92Å
233N31.9Very low33.5Very low145 Ų145133.4 Ų133.478%0.77580%0.801SS**  trans-69.3118.9173.8-66.8-59.8000109.1
234A35.2Very low33.4Very low100 Ų100131 Ų13183%0.82680%0.799SS**  trans-126.9115.9155.900000107.9S232S232-A234 PolarHBondContact O-N 2.92Å
235S32.1Very low33.6Very low104 Ų104137.6 Ų137.673%0.72781%0.808SS**  trans-56.3150.9-170.6-67.40000114.8V237S235-V237 PolarHBondContact O-N 2.87Å
236P37.9Very low33.5Very low117 Ų117137.2 Ų137.276%0.7681%0.807SS**  trans-74.7110.2171.730.6-31.1000109.7T238P236-T238 PolarHBondContact O-N 2.89Å
237V35.5Very low33.3Very low134 Ų134140.8 Ų140.881%0.81281%0.808SS**  trans-88.8101.9165.1178.40000108.1S235S235-V237 PolarHBondContact O-N 2.87Å
238T30.7Very low33.1Very low126 Ų126136.8 Ų136.877%0.77380%0.799SS**  trans-81.9112169.9-44.60000108.9P236P236-T238 PolarHBondContact O-N 2.89Å
239V35.4Very low33.4Very low130 Ų130134.8 Ų134.879%0.78880%0.795SS**  trans-145.9117.8152.3-171.80000108.6G241V239-G241 PolarHBondContact O-N 3.42Å
240G25.4Very low33.6Very low81 Ų81136.1 Ų136.184%0.83580%0.799SS**  trans-62.5125.1173.600000111.4
241G29.9Very low33.6Very low74 Ų74131.7 Ų131.776%0.76379%0.786SS**  trans-124.7110.1169.900000109.2V239 N243V239-G241 PolarHBondContact O-N 3.42Å; G241-N243 PolarHBondContact O-N 2.78Å
242A31.6Very low33.7Very low95 Ų95132 Ų13279%0.78579%0.787SS**  trans-61.4117176.200000111.7
243N32.1Very low33.5Very low153 Ų153136.2 Ų136.282%0.81879%0.787SS**  168.4106.4127.2-92.4-41.7000109.9G241 R245G241-N243 PolarHBondContact O-N 2.78Å; N243-R245 PolarHBondContact O-N 2.83Å
244T32.1Very low33.4Very low127 Ų127135.8 Ų135.878%0.77979%0.785SS**  trans-59.890.1170270000111.3
245R35.3Very low33.6Very low236 Ų236136.3 Ų136.389%0.89178%0.777SS**  trans-11581.2147.8-83.7-175.4-177.5161.22108.2N243 R247N243-R245 PolarHBondContact O-N 2.83Å; R245-R247 PolarHBondContact O-N 3.35Å
246N34.9Very low33.8Very low158 Ų158138.1 Ų138.185%0.84578%0.779SS**  trans-68.383.3166.9-76-12.9000108.6A248N246-A248 PolarHBondContact O-N 2.81Å
247R29.9Very low33.8Very low233 Ų233140.2 Ų140.288%0.87978%0.78SS**  trans-83.8103.8165.5-157.1179.4-161.4-179.75.2106.5R245R245-R247 PolarHBondContact O-N 3.35Å
248A35.7Very low33.7Very low82 Ų82138.8 Ų138.868%0.67878%0.777SS**  trans-63.9129.7171.100000109N246 V250N246-A248 PolarHBondContact O-N 2.81Å; A248-V250 PolarHBondContact O-N 2.77Å
249P37.6Very low34.2Very low122 Ų122138.9 Ų138.979%0.79278%0.779SS**  trans-67.5116.1176.826.4-31.3000109.1S251P249-S251 VanDerWaalsContact C-N 3.32Å; P249-S251 PolarHBondContact O-N 2.77Å
250V38.4Very low34.3Very low131 Ų131141.4 Ų141.479%0.79478%0.782SS**  trans-67.595.2168.2177.40000106.7A248 R252A248-V250 PolarHBondContact O-N 2.77Å; V250-R252 PolarHBondContact O-N 2.7Å
251S33Very low34.8Very low74 Ų74143.2 Ų143.252%0.51778%0.782SS.*  trans-66.5116.8176.5-1690000109.7P249 Y253P249-S251 VanDerWaalsContact C-N 3.32Å; P249-S251 PolarHBondContact O-N 2.77Å; S251-Y253 PolarHBondContact O-N 3.12Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S251-Y253 WeakPolarHBondContact OG-CE2 3.43Å
252R34.2Very low34.8Very low235 Ų235142.4 Ų142.489%0.88777%0.774SS**  trans-83.578.5176.4-58.6-175.5-164.1-174.24.7109.1V250 N254V250-R252 PolarHBondContact O-N 2.7Å; R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.29Å
253Y33.8Very low34.9Very low203 Ų203142.7 Ų142.780%0.79678%0.776SS**  trans-87.286.3164-67.9-65.1000109.8S251 V255S251-Y253 PolarHBondContact O-N 3.12Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S251-Y253 WeakPolarHBondContact OG-CE2 3.43Å; Y253-V255 PolarHBondContact O-N 2.89Å
254N31.5Very low35.2Very low137 Ų137142 Ų14273%0.73377%0.771SS**  trans5.398141.8-143.514.8000116.1R252R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.29Å
255V39Very low35.5Very low111 Ų111140.7 Ų140.767%0.67377%0.765SS**  trans-112.6106.7153.8-174.30000105.4Y253 M257Y253-V255 PolarHBondContact O-N 2.89Å; V255-M257 PolarHBondContact O-N 3.02Å
256N36.1Very low35.7Very low142 Ų142135.7 Ų135.776%0.75976%0.761SS**  trans-52.699.7171.2-83.9-32.1000108.9S258N256-S258 PolarHBondContact O-N 2.94Å
257M36.8Very low35.9Very low160 Ų160132.1 Ų132.179%0.78875%0.753SS**  trans-84.2101.7166.5-78.6-78.5160.500106.9V255 P259V255-M257 PolarHBondContact O-N 3.02Å; M257-P259 WeakPolarHBondContact O-CD 3.45Å
258S35.2Very low36.5Very low105 Ų105131 Ų13173%0.73475%0.75SS**  trans-70.3120.5156.7-67.90000107.4N256 Q260N256-S258 PolarHBondContact O-N 2.94Å; S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 2.95Å
259P40.4Very low36.7Very low127 Ų127135.9 Ų135.983%0.82576%0.759SS**  trans-77.185.717930.2-30.8000108.4M257 S261M257-P259 WeakPolarHBondContact O-CD 3.45Å; P259-S261 PolarHBondContact O-N 3.05Å
260Q37.8Very low36.9Very low184 Ų184136.8 Ų136.886%0.8676%0.757SS**  trans-83.4102.5172.9-159159.3-3.500109.1S258 G262S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 2.95Å; Q260-G262 VanDerWaalsContact C-N 3.25Å; Q260-G262 PolarHBondContact O-N 3.39Å
261S36Very low36.7Very low119 Ų119132.3 Ų132.383%0.83274%0.737SS**  trans-48.181.2164.154.20000111.7P259P259-S261 PolarHBondContact O-N 3.05Å
262G29.3Very low37.6Very low57 Ų57133.8 Ų133.859%0.58875%0.745SS**  trans-88.6116.3159.600000107.4Q260 I264Q260-G262 VanDerWaalsContact C-N 3.25Å; Q260-G262 PolarHBondContact O-N 3.39Å; G262-I264 PolarHBondContact O-N 3.16Å
263A34.7Very low38.1Very low100 Ų100131 Ų13183%0.82674%0.74SS**  trans-50.2107.1167.600000107.7P265A263-P265 WeakPolarHBondContact O-CD 3.23Å; A263-P265 VanDerWaalsContact O-N 3.13Å
264I36.9Very low38.6Very low140 Ų140126 Ų12672%0.71873%0.727SS**  trans-62.6117.6174.3-59.5174000104.5G262 T266G262-I264 PolarHBondContact O-N 3.16Å; I264-T266 HydrophobicContact CG2-CG2 4.46Å; I264-T266 PolarHBondContact O-N 3.45Å
265P39.6Very low39.5Very low99 Ų99127.5 Ų127.564%0.64373%0.729SS**  trans-6690.1172.125.6-30.1000107.7A263 A267A263-P265 WeakPolarHBondContact O-CD 3.23Å; A263-P265 VanDerWaalsContact O-N 3.13Å; P265-A267 PolarHBondContact O-N 2.9Å
266T38.5Very low40Very low131 Ų131133.4 Ų133.480%0.80474%0.74SS**  trans-71.367.7171.545.90000109.1I264I264-T266 HydrophobicContact CG2-CG2 4.46Å; I264-T266 PolarHBondContact O-N 3.45Å
267A39.6Very low40.5Very low82 Ų82136.8 Ų136.868%0.67874%0.741SS**  trans-168.339.8168.600000112.6P265 Q269P265-A267 PolarHBondContact O-N 2.9Å; A267-Q269 PolarHBondContact O-N 2.73Å
268Y41.7Very low40.9Very low211 Ų211138.8 Ų138.883%0.82774%0.74SS**  trans-73.183.5150.7-77.9-80.7000106.6N270Y268-N270 PolarHBondContact O-N 2.97Å
269Q40.1Very low41.5Very low183 Ų183139.9 Ų139.986%0.85575%0.745SS**  trans-41.8105.6160.6-84.7-176.1-17.100107A267 G271A267-Q269 PolarHBondContact O-N 2.73Å; Q269-G271 VanDerWaalsContact C-N 3.25Å; Q269-G271 PolarHBondContact O-N 2.88Å
270N42.6Very low42Very low142 Ų142139.7 Ų139.776%0.75974%0.742SS**  trans-62.3101.4159.5-65.6-66.1000104.8Y268Y268-N270 PolarHBondContact O-N 2.97Å
271G34.8Very low42.4Very low36 Ų36137.6 Ų137.637%0.37174%0.737SS.*  trans-54153.8169.200000109.3Q269 F273 D274Q269-G271 VanDerWaalsContact C-N 3.25Å; Q269-G271 PolarHBondContact O-N 2.88Å; G271-F273 PolarHBondContact O-N 2.9Å; G271-D274 PolarHBondContact O-N 2.62Å
272P51.2Low42.6Very low106 Ų106140.6 Ų140.669%0.68874%0.743SS**THydrogen-bonded Turntrans-62.5-2.5-17123.8-33.2000114.8
273F45.4Very low43.1Very low177 Ų177140 Ų14078%0.77674%0.737SS**THydrogen-bonded Turntrans-97.1-9.2-174-70.8-76.9000115.7G271G271-F273 PolarHBondContact O-N 2.9Å
274D44Very low43.1Very low98 Ų98140.1 Ų140.152%0.52473%0.732SS.*SBendtrans-96.9-4.3-175.1-82.7-28.5000115.5G271 W276 R277G271-D274 PolarHBondContact O-N 2.62Å; D274-W276 VanDerWaalsContact C-N 3.29Å; D274-W276 PolarHBondContact O-N 2.71Å; D274-R277 PolarHBondContact O-N 2.78Å; D274-R277 VanDerWaalsContact O-N 3.16Å
275Q49.4Very low43.4Very low167 Ų167140.3 Ų140.378%0.7873%0.733SS**G310 helixtrans-66.1-27.9-179.5-77.8-176.3-1500113.7R277Q275-R277 VanDerWaalsContact C-N 3.26Å; Q275-R277 PolarHBondContact O-N 2.97Å
276W50.2Low43.6Very low236 Ų236146.2 Ų146.289%0.89474%0.743SS**G310 helixtrans-73.9-18.7177.6-59.792.7000113.1D274D274-W276 VanDerWaalsContact C-N 3.29Å; D274-W276 PolarHBondContact O-N 2.71Å
277R46.8Very low43.9Very low212 Ų212150 Ų15080%0.874%0.742SS**G310 helixtrans-102.42.1-171-76.3-173176.3-105.30.4114.8D274 Q275D274-R277 PolarHBondContact O-N 2.78Å; D274-R277 VanDerWaalsContact O-N 3.16Å; Q275-R277 VanDerWaalsContact C-N 3.26Å; Q275-R277 PolarHBondContact O-N 2.97Å
278R43.8Very low44Very low202 Ų202150.7 Ų150.776%0.76274%0.742SS**  trans-137.9117.9174-68.7-172.1171.2-166-1.7111.4T280R278-T280 PolarHBondContact O-N 3.33Å
279P48.8Very low43.9Very low128 Ų128150.1 Ų150.183%0.83175%0.747SS**  trans-55.5108.8151.3-14.728.6000106.4N281P279-N281 PolarHBondContact O-N 2.76Å; P279-N281 VanDerWaalsContact O-N 3.07Å
280T51.2Low43.9Very low123 Ų123149 Ų14976%0.75574%0.742SS**SBendtrans-58.2116.1174.245.80000108R278R278-T280 PolarHBondContact O-N 3.33Å
281N45Very low43.8Very low141 Ų141151 Ų15175%0.75475%0.746SS**  trans78.2126.6171.8-60.6-43.8000117.3P279 G283P279-N281 PolarHBondContact O-N 2.76Å; P279-N281 VanDerWaalsContact O-N 3.07Å; N281-G283 PolarHBondContact O-N 2.95Å
282N41.9Very low44.1Very low182 Ų182157.5 Ų157.597%0.97377%0.767SS**  trans-59.536.1151.1-70.3-42.5000112.4S284N282-S284 PolarHBondContact O-N 3.07Å
283G38.6Very low43.6Very low45 Ų45162.4 Ų162.446%0.46478%0.777SS.*  trans-85.2111.4171.400000107N281 L285N281-G283 PolarHBondContact O-N 2.95Å; G283-L285 PolarHBondContact O-N 2.89Å
284S35.7Very low43.3Very low101 Ų101160 Ų16071%0.70678%0.777SS**  trans-57.271.7159.1169.10000109.6N282 R286N282-S284 PolarHBondContact O-N 3.07Å; S284-R286 PolarHBondContact O-N 2.85Å
285L42.9Very low43.3Very low144 Ų144160.7 Ų160.775%0.75479%0.787SS**  trans-80.363.9155.3-76.4156.2000105.8G283 R287G283-L285 PolarHBondContact O-N 2.89Å; L285-R287 PolarHBondContact O-N 2.97Å
286R44Very low43.1Very low224 Ų224164 Ų16485%0.84579%0.792SS**  trans-52.488.4134.3-72.7-176.2170.2-151.7-3103.8S284 S288S284-R286 PolarHBondContact O-N 2.85Å; R286-S288 VanDerWaalsContact C-N 3.29Å; R286-S288 PolarHBondContact O-N 2.87Å
287R45Very low42.5Very low210 Ų210158.5 Ų158.579%0.79278%0.78SS**  trans-49.5109.3165.8-79.6-177.7-92.3-99.31.8103L285 H289L285-R287 PolarHBondContact O-N 2.97Å; R287-H289 PolarHBondContact O-N 3.14Å
288S40.5Very low42.6Very low96 Ų96154.2 Ų154.267%0.67178%0.778SS**  trans-50121.2172.349.70000105.1R286 Q290R286-S288 VanDerWaalsContact C-N 3.29Å; R286-S288 PolarHBondContact O-N 2.87Å; S288-Q290 PolarHBondContact O-N 2.94Å
289H39.2Very low42.6Very low199 Ų199150.2 Ų150.292%0.92177%0.772SS**SBendtrans-68.255.2177.8-101-53.6000109.6R287R287-H289 PolarHBondContact O-N 3.14Å
290Q40.4Very low42.4Very low161 Ų161152 Ų15275%0.75277%0.769SS**  trans-154.360179.4-71-166.4-15.100109.8S288S288-Q290 PolarHBondContact O-N 2.94Å
291Q40.2Very low42.1Very low184 Ų184155.4 Ų155.486%0.8677%0.773SS**  trans-126.5102.8147.2-72.8-158.2-33.300107F293Q291-F293 PolarHBondContact O-N 2.74Å
292H41.3Very low42.2Very low171 Ų171156.5 Ų156.579%0.79277%0.774SS**  trans-41.9129.5168.6-68.8-94.2000108.6V294H292-V294 VanDerWaalsContact C-N 3.26Å; H292-V294 PolarHBondContact O-N 3.23Å
293F40.9Very low42.4Very low209 Ų209158 Ų15892%0.91777%0.766SS**  trans-53.793.7169.3-77.8-95000108.4Q291 P295Q291-F293 PolarHBondContact O-N 2.74Å; F293-P295 VanDerWaalsContact O-CD 3.29Å; F293-P295 WeakPolarHBondContact O-CD 3.21Å
294V38.9Very low42.6Very low126 Ų126164.3 Ų164.376%0.76478%0.777SS**  trans-77.8113.1159.4-178.60000104.3H292 R296H292-V294 VanDerWaalsContact C-N 3.26Å; H292-V294 PolarHBondContact O-N 3.23Å; V294-R296 PolarHBondContact O-N 3.16Å
295P45Very low43.1Very low113 Ų113166.6 Ų166.673%0.73478%0.781SS**  trans-55.7118.2179.819.9-29.4000108.3F293 N297F293-P295 VanDerWaalsContact O-CD 3.29Å; F293-P295 WeakPolarHBondContact O-CD 3.21Å; P295-N297 PolarHBondContact O-N 3.01Å
296R44.5Very low42.7Very low238 Ų238161.2 Ų161.290%0.89876%0.76SS**  trans-56.2111.9171.1-107.8177.7175.3142.5-2.2106.8V294 T298V294-R296 PolarHBondContact O-N 3.16Å; R296-T298 PolarHBondContact O-N 2.76Å
297N38.9Very low42.8Very low120 Ų120157.1 Ų157.164%0.64276%0.763SS**  trans-48.3111.4177.5-166.1-27.5000109.1P295 N299P295-N297 PolarHBondContact O-N 3.01Å; N297-N299 PolarHBondContact O-N 2.73Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.07Å; N297-N299 PolarHBondContact OD1-N 2.74Å; N297-N299 PolarHBondContact OD1-ND2 2.79Å
298T48.5Very low42.6Very low121 Ų121150.8 Ų150.874%0.74275%0.747SS**G310 helixtrans-73.13-174.442.70000113.3R296R296-T298 PolarHBondContact O-N 2.76Å
299N42.7Very low42.8Very low119 Ų119152.3 Ų152.364%0.63675%0.753SS**G310 helixtrans-93.37.5-172.5-68.8-34.5000115.7N297N297-N299 PolarHBondContact O-N 2.73Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.07Å; N297-N299 PolarHBondContact OD1-N 2.74Å; N297-N299 PolarHBondContact OD1-ND2 2.79Å
300Q45.5Very low42.9Very low166 Ų166151.1 Ų151.178%0.77675%0.747SS**G310 helixtrans-85.7-3.9178.4-76.6-169.2-23.700115.4H302Q300-H302 PolarHBondContact O-N 2.67Å
301F44.9Very low43.2Very low193 Ų193149.2 Ų149.285%0.84675%0.749SS**  trans-79.870.1161.7-61.9-71.5000108.6R303F301-R303 PolarHBondContact O-N 2.83Å
302H47.5Very low43.3Very low165 Ų165144 Ų14476%0.76474%0.744SS**  trans-55.8106.7163.8-76.8-71.1000107.2Q300 Y304Q300-H302 PolarHBondContact O-N 2.67Å; H302-Y304 PolarHBondContact O-N 2.64Å
303R46.2Very low43.3Very low214 Ų214146.9 Ų146.981%0.80875%0.748SS**  trans-47.8108.5162.3-64.7174.5178.2-117.80.7106.6F301 N305F301-R303 PolarHBondContact O-N 2.83Å; R303-N305 PolarHBondContact O-N 2.89Å
304Y43.1Very low43.6Very low176 Ų176141.8 Ų141.869%0.6974%0.736SS**  trans-7186.2170.7-165.3-97.9000107.2H302 G306 T308H302-Y304 PolarHBondContact O-N 2.64Å; Y304-G306 WeakPolarHBondContact CD1-O 3.13Å; Y304-G306 WeakPolarHBondContact CE1-O 3.21Å; Y304-G306 PolarHBondContact O-N 2.7Å; Y304-T308 WeakPolarHBondContact OH-CB 3.49Å; Y304-T308 PolarHBondContact OH-OG1 3.21Å
305N44.4Very low44Very low150 Ų150143.7 Ų143.780%0.80274%0.736SS**  trans-82.584.3170.5-71.4-24.7000107.4R303R303-N305 PolarHBondContact O-N 2.89Å
306G34.4Very low44Very low30 Ų30145.4 Ų145.431%0.30974%0.735SS.*  trans-175.4121.2175.300000112.7Y304 T308Y304-G306 WeakPolarHBondContact CD1-O 3.13Å; Y304-G306 WeakPolarHBondContact CE1-O 3.21Å; Y304-G306 PolarHBondContact O-N 2.7Å; G306-T308 PolarHBondContact O-N 2.82Å
307P47.4Very low44Very low138 Ų138140.1 Ų140.190%0.89672%0.724SS**  trans-75.772.2167.332.6-31.3000108.1T309P307-T309 PolarHBondContact O-N 2.88Å; P307-T309 VanDerWaalsContact O-N 3.12Å
308T41Very low44.1Very low77 Ų77139.8 Ų139.847%0.47272%0.723SS.*  trans-79.6105176.3-50.90000107.6Y304 G306 H310Y304-T308 WeakPolarHBondContact OH-CB 3.49Å; Y304-T308 PolarHBondContact OH-OG1 3.21Å; G306-T308 PolarHBondContact O-N 2.82Å; T308-H310 PolarHBondContact O-N 2.8Å
309T44.5Very low43.9Very low128 Ų128143.1 Ų143.179%0.78573%0.727SS**  trans-32.2103.5166410000111.5P307P307-T309 PolarHBondContact O-N 2.88Å; P307-T309 VanDerWaalsContact O-N 3.12Å
310H40.4Very low43.9Very low174 Ų174143.6 Ų143.681%0.80674%0.74SS**  trans-62.6138164.7-69.7-65.2000108.2T308 G312T308-H310 PolarHBondContact O-N 2.8Å; H310-G312 PolarHBondContact O-N 3.1Å
311P47.9Very low43.7Very low121 Ų121145.6 Ų145.679%0.78674%0.74SS**  trans-55.5119.2179.220.9-30.9000109.2R313P311-R313 PolarHBondContact O-N 2.7Å
312G42.1Very low43.6Very low74 Ų74143.6 Ų143.676%0.76374%0.738SS**  trans-53.9112.4-17900000109.7H310H310-G312 PolarHBondContact O-N 3.1Å
313R40.7Very low43.1Very low232 Ų232147.6 Ų147.688%0.87575%0.747SS**  trans-65.2125.8172.8-156.3173.9-165.6-113.93.1106.4P311 H315P311-R313 PolarHBondContact O-N 2.7Å; R313-H315 PolarHBondContact O-N 3.02Å
314P47.6Very low42.9Very low103 Ų103143.6 Ų143.667%0.66975%0.746SS**  trans-57.9113.3-175.820.1-30.5000109Q316P314-Q316 PolarHBondContact O-N 2.92Å
315H47Very low42.9Very low165 Ų165141 Ų14176%0.76475%0.751SS**  trans-66.991.7171-137.6-86.6000105.7R313 N317R313-H315 PolarHBondContact O-N 3.02Å; H315-N317 PolarHBondContact ND1-OD1 3.34Å; H315-N317 PolarHBondContact O-N 3.3Å
316Q45.5Very low42.5Very low149 Ų149137.5 Ų137.570%0.69675%0.75SS**  trans-67.676.5170.3-76.4-87.9-16.800107.5P314 N318P314-Q316 PolarHBondContact O-N 2.92Å; Q316-N318 PolarHBondContact O-N 2.85Å; Q316-N318 PolarHBondContact OE1-ND2 3.03Å
317N43.1Very low42.8Very low128 Ų128141.3 Ų141.368%0.68477%0.772SS**  trans-68.979.7163.3-830.4000107.5H315H315-N317 PolarHBondContact ND1-OD1 3.34Å; H315-N317 PolarHBondContact O-N 3.3Å
318N42.5Very low42.3Very low113 Ų113138.3 Ų138.360%0.60477%0.766SS**  trans-137.433177.8-90.3-33.7000113.1Q316Q316-N318 PolarHBondContact O-N 2.85Å; Q316-N318 PolarHBondContact OE1-ND2 3.03Å
319F43.1Very low42.4Very low190 Ų190143.5 Ų143.583%0.83379%0.787SS**  trans-14760.9159-78.2-73.3000111.7R321F319-R321 VanDerWaalsContact C-N 3.34Å; F319-R321 PolarHBondContact O-N 2.72Å
320S42.7Very low42Very low129 Ų129140.6 Ų140.690%0.90278%0.782SS**  trans-85.880.6151.1-76.30000108.3
321R42.8Very low42Very low209 Ų209140.2 Ų140.279%0.78979%0.786SS**  trans-106.6112.9155.5-71.7-170.9-170.6-155.32.6106.5F319F319-R321 VanDerWaalsContact C-N 3.34Å; F319-R321 PolarHBondContact O-N 2.72Å
322N40.9Very low41.6Very low151 Ų151139.8 Ų139.881%0.80779%0.786SS**SBendtrans86.954.6160.2-47.3-22.8000118.4
323R38.4Very low41.5Very low249 Ų249141.2 Ų141.294%0.9478%0.782SS**  trans-128.5116.9139.4-75.9-167-178.4-159.50.3110
324V41.9Very low41.6Very low129 Ų129136 Ų13678%0.78278%0.778SS**  trans-48.3144.1179.2174.60000111G326V324-G326 PolarHBondContact O-N 2.86Å
325P43.3Very low41.2Very low123 Ų123137.8 Ų137.880%0.79979%0.787SS**  trans-55.7111.3175.420.8-32.2000110.8S327P325-S327 PolarHBondContact O-N 3.48Å
326G35.5Very low40.4Very low76 Ų76138.2 Ų138.278%0.78479%0.789SS**  trans-69.5121.416600000108.6V324 G328V324-G326 PolarHBondContact O-N 2.86Å; G326-G328 PolarHBondContact O-N 3.44Å
327S40Very low39.8Very low110 Ų110135.1 Ų135.177%0.76979%0.789SS**  trans-47.8131.2-179.7-156.40000111.8P325 M329P325-S327 PolarHBondContact O-N 3.48Å; S327-M329 PolarHBondContact O-N 2.94Å
328G37.5Very low39.3Very low75 Ų75135.6 Ų135.677%0.77379%0.791SS**  trans-54.6113.4167.100000109.4G326G326-G328 PolarHBondContact O-N 3.44Å
329M43.2Very low39.1Very low186 Ų186137.1 Ų137.192%0.91680%0.799SS**  trans-85.3109.3163-71.9-94.2-156.600105S327S327-M329 PolarHBondContact O-N 2.94Å
330G36.6Very low38.7Very low66 Ų66133.1 Ų133.168%0.6880%0.795SS**  trans-54.2143.5-171.300000113.5S332G330-S332 PolarHBondContact O-N 2.85Å
331D39.6Very low38.6Very low167 Ų167133.1 Ų133.189%0.89379%0.792SS**  trans-51.4102.9158.3-65-52.1000108.7
332S38.7Very low38.1Very low111 Ų111130.4 Ų130.478%0.77679%0.793SS**  trans-78127.6161.8-67.60000107.6G330G330-S332 PolarHBondContact O-N 2.85Å
333P41.9Very low38.1Very low104 Ų104128 Ų12868%0.67579%0.786SS**  trans-68.1151.3-173.527.5-33.9000111.7V335P333-V335 PolarHBondContact O-N 2.81Å; P333-V335 VanDerWaalsContact O-N 3.14Å
334P41.7Very low38Very low122 Ų122122.3 Ų122.379%0.79278%0.778SS**  trans-70.2108.8-178.928-33000110.5Q336P334-Q336 PolarHBondContact O-N 3.41Å
335V38.9Very low37.8Very low142 Ų142123.1 Ų123.186%0.86178%0.777SS**  trans-79.8100.6165.1-179.50000107.5P333P333-V335 PolarHBondContact O-N 2.81Å; P333-V335 VanDerWaalsContact O-N 3.14Å
336Q30.7Very low37.3Very low174 Ų174124.3 Ų124.381%0.81378%0.777SS**  trans-69162163.7-74.2-178.6-48.200111.2P334P334-Q336 PolarHBondContact O-N 3.41Å
337A32.7Very low37.5Very low84 Ų84128.2 Ų128.269%0.69477%0.774SS**  trans81.4137.6166.200000114.8
338N32.5Very low37.3Very low138 Ų138133.2 Ų133.274%0.73878%0.778SS**  cis-171.8172.9-11.9-114-42.8000103.6
339D37.6Very low36.9Very low144 Ų144135.9 Ų135.977%0.7778%0.775SS**  trans77.186.8157.5-50-34.4000118.6
340S35.4Very low36.7Very low106 Ų106132.8 Ų132.874%0.74177%0.768SS**  169.8117.2102.2-97.40000111.4N342S340-N342 PolarHBondContact O-N 3.21Å
341P40Very low36.3Very low130 Ų130137.2 Ų137.284%0.84477%0.771SS**  trans-8395.7170.632.4-27.1000108.5
342N33.9Very low36.4Very low151 Ų151133.8 Ų133.881%0.80776%0.758SS**  trans-88.9132.6166.3-110.2-22.3000110.2S340S340-N342 PolarHBondContact O-N 3.21Å
343P39.8Very low36.4Very low101 Ų101136.8 Ų136.866%0.65677%0.765SS**  trans-77.6147.9-160.930.6-33.9000112.8I345P343-I345 PolarHBondContact O-N 2.91Å
344V36.3Very low35.8Very low129 Ų129136.9 Ų136.978%0.78277%0.769SS**  trans-55.3101.1168.1179.30000109.3N346V344-N346 PolarHBondContact O-N 3.42Å
345I39Very low35.7Very low146 Ų146137.6 Ų137.675%0.74977%0.77SS**  trans-85.495161.813.3172.8000107.3P343 E347P343-I345 PolarHBondContact O-N 2.91Å; I345-E347 PolarHBondContact O-N 2.85Å
346N31.8Very low35.4Very low149 Ų149140.9 Ų140.980%0.79777%0.767SS**  trans-67100.3161.6-92.7-9.1000107.9V344V344-N346 PolarHBondContact O-N 3.42Å
347E40.1Very low35.6Very low157 Ų157141.6 Ų141.673%0.73477%0.771SS**  trans-123.9101.9169.3-114.3161.5177.800111.2I345I345-E347 PolarHBondContact O-N 2.85Å
348Y35.6Very low35.8Very low216 Ų216143.5 Ų143.585%0.84777%0.769SS**  trans58.391148-82.7-96.6000118.7P350Y348-P350 VanDerWaalsContact O-CD 3.28Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å
349N29.8Very low36.1Very low131 Ų131142 Ų14270%0.70177%0.769SS**  trans-84110.3155.4-176.59000109.7Q351N349-Q351 PolarHBondContact O-N 3.26Å
350P37.8Very low36.1Very low120 Ų120144.4 Ų144.478%0.77977%0.773SS**  trans-76.7104.7160.929.1-29.5000109.3Y348Y348-P350 VanDerWaalsContact O-CD 3.28Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å
351Q29.3Very low36.2Very low159 Ų159148.4 Ų148.474%0.74378%0.777SS**  trans-96.1169.5167.9-128.6-150.9-28.800110N349N349-Q351 PolarHBondContact O-N 3.26Å
352P41.2Very low36.2Very low96 Ų96148 Ų14862%0.62378%0.775SS**  -114.3155.6-96.937.3-24.6000113.3S354P352-S354 PolarHBondContact O-N 3.41Å
353D37.7Very low36.7Very low173 Ų173149.6 Ų149.693%0.92578%0.777SS**  trans-67.7120.5170.2-85.7-38.1000111.1
354S31.2Very low36.7Very low107 Ų107150.3 Ų150.375%0.74878%0.78SS**  trans-102.5110.2-179.258.40000109.3P352P352-S354 PolarHBondContact O-N 3.41Å
355V38.4Very low36.6Very low136 Ų136148.5 Ų148.582%0.82477%0.773SS**  trans-146.588.2163.4-156.10000105.3
356R31.8Very low36.5Very low212 Ų212153.1 Ų153.180%0.878%0.781SS**  59.772.473.6-148.4-179.7-164.1169.96.3112.9D358R356-D358 IonicContact NE-OD2 3.76Å
357E36Very low36.8Very low189 Ų189150.4 Ų150.488%0.88378%0.78SS**  trans-117.192.6149.2-92.2-171.3157.400109.5S359E357-S359 VanDerWaalsContact C-N 3.32Å; E357-S359 PolarHBondContact O-N 2.86Å; E357-S359 VanDerWaalsContact O-N 3.13Å
358D36.5Very low36.6Very low124 Ų124148.7 Ų148.766%0.66378%0.78SS**  trans-74.673.7169.2-81.1-53000110.2R356 K360R356-D358 IonicContact NE-OD2 3.76Å; D358-K360 PolarHBondContact O-N 2.86Å
359S39.5Very low36.8Very low106 Ų106145.4 Ų145.474%0.74178%0.782SS**  trans-98.283.8163.456.70000109.9E357 K361E357-S359 VanDerWaalsContact C-N 3.32Å; E357-S359 PolarHBondContact O-N 2.86Å; E357-S359 VanDerWaalsContact O-N 3.13Å; S359-K361 PolarHBondContact O-N 3.46Å
360K38.1Very low37.3Very low194 Ų194143.4 Ų143.484%0.84378%0.784SS**  trans-55.892171.2-68.5-179.6177.9178.80110.9D358D358-K360 PolarHBondContact O-N 2.86Å
361K37.1Very low37.3Very low190 Ų190144.7 Ų144.783%0.82679%0.789SS**  trans-85.4127.2153.3-92.5174.6177.7171.80107.9S359 Q363S359-K361 PolarHBondContact O-N 3.46Å; K361-Q363 VanDerWaalsContact C-N 3.25Å; K361-Q363 PolarHBondContact O-N 2.97Å
362P40.5Very low37.5Very low123 Ų123139.7 Ų139.780%0.79978%0.781SS**  trans-7086.9175.128.2-31.9000108.6T364P362-T364 PolarHBondContact O-N 2.89Å; P362-T364 VanDerWaalsContact O-N 3.08Å
363Q42.5Very low37.3Very low184 Ų184142 Ų14286%0.8679%0.793SS**  trans-71.8103.9169.1-164.7174.1-2.900106.9K361 S365K361-Q363 VanDerWaalsContact C-N 3.25Å; K361-Q363 PolarHBondContact O-N 2.97Å; Q363-S365 PolarHBondContact O-N 2.81Å
364T39.9Very low37.4Very low115 Ų115142.6 Ų142.671%0.70679%0.79SS**  trans-56.6101175.9-49.70000109.1P362 W366P362-T364 PolarHBondContact O-N 2.89Å; P362-T364 VanDerWaalsContact O-N 3.08Å; T364-W366 PolarHBondContact O-N 3.39Å
365S35.7Very low37.6Very low92 Ų92143.2 Ų143.264%0.64379%0.792SS**  trans-73.6112.1179.268.40000110.1Q363Q363-S365 PolarHBondContact O-N 2.81Å
366W35.5Very low38Very low242 Ų242145.8 Ų145.892%0.91780%0.796SS**SBendtrans-116.710.3158-72.398.8000112.4T364T364-W366 PolarHBondContact O-N 3.39Å
367A38.4Very low38.6Very low93 Ų93144 Ų14477%0.76980%0.796SS**  trans-142.356.5-173.700000112.9
368T37.2Very low38.9Very low121 Ų121143.9 Ų143.974%0.74279%0.793SS**  trans-137.770163-46.20000109.3
369V39.7Very low39.5Very low146 Ų146143.1 Ų143.189%0.88580%0.795SS**  trans-133.1127.6163.2-177.80000107.4
370A40Very low39.7Very low89 Ų89148 Ų14874%0.73680%0.798SS**  trans78.874.8174.500000116.7G372A370-G372 PolarHBondContact O-N 2.77Å
371V36.5Very low40.3Very low147 Ų147144 Ų14489%0.89179%0.791SS**  trans-66.178.3140.7-179.50000106.8
372G34.3Very low41Very low55 Ų55139.9 Ų139.957%0.56778%0.783SS**  trans-103.1105.1171.600000107.9A370 Q374A370-G372 PolarHBondContact O-N 2.77Å; G372-Q374 VanDerWaalsContact C-N 3.28Å; G372-Q374 PolarHBondContact O-N 2.89Å
373V36.7Very low41.9Very low145 Ų145142.3 Ų142.388%0.87978%0.781SS**  trans-6688.1172.6-1420000107.4
374Q40.2Very low42.8Very low185 Ų185139.2 Ų139.286%0.86477%0.77SS**  trans-135.4117.6172-77.3-165-8.800110G372G372-Q374 VanDerWaalsContact C-N 3.28Å; G372-Q374 PolarHBondContact O-N 2.89Å
375C35.8Very low44.3Very low119 Ų119137.3 Ų137.380%0.80476%0.756SS**  trans-12.5134.2173-67.90000116.4Q377C375-Q377 PolarHBondContact O-N 3.08Å
376E45.6Very low46.4Very low190 Ų190135.8 Ų135.889%0.88875%0.745SS**  trans-3459.2156-64.8-91.4156.400115.1
377Q44.6Very low48.4Very low175 Ų175133.1 Ų133.182%0.81874%0.735SS**  trans-92.591.8154.5-83.9-174.59.100104.9C375 P379C375-Q377 PolarHBondContact O-N 3.08Å; Q377-P379 WeakPolarHBondContact O-CD 3.45Å
378K43.4Very low50.5Low187 Ų187133.3 Ų133.381%0.81372%0.723SS**  trans-46.2112162.6-103.5174.3177.8166.60106.2Y380K378-Y380 PolarHBondContact O-N 3.45Å
379P47.7Very low52.7Low107 Ų107134 Ų13470%0.69572%0.718SS**  trans-56.6121174.621.5-29.6000105.1Q377 T381Q377-P379 WeakPolarHBondContact O-CD 3.45Å; P379-T381 PolarHBondContact O-N 3.04Å
380Y44.3Very low55Low208 Ų208131.9 Ų131.982%0.81670%0.701SS**  trans-59.893.5171.8-175-94.3000105.3K378 P382K378-Y380 PolarHBondContact O-N 3.45Å; Y380-P382 WeakPolarHBondContact O-CD 2.91Å
381T51.8Low57.4Low112 Ų112130.9 Ų130.969%0.68769%0.686SS**  trans-61.8111.7176.244.10000104.4P379 K383P379-T381 PolarHBondContact O-N 3.04Å; T381-K383 PolarHBondContact O-N 2.85Å
382P51.3Low59.8Low103 Ų103127.8 Ų127.867%0.66967%0.67SS**  trans-52.7122.6173.921.5-29.6000105.2Y380 D384Y380-P382 WeakPolarHBondContact O-CD 2.91Å; P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact O-CA 3.43Å; P382-D384 PolarHBondContact O-N 2.88Å
383K58.4Low62.5Low174 Ų174130.8 Ų130.876%0.75767%0.668SS**  trans-54.7100.8-174.6-152.5176.2-172.1179.20106.2T381 N385T381-K383 PolarHBondContact O-N 2.85Å; K383-N385 PolarHBondContact O-N 3.02Å; K383-N385 PolarHBondContact O-OD1 2.73Å
384D62.1Low65.2Low119 Ų119128.6 Ų128.664%0.63665%0.651SS**  trans-79.480.8-168.8-165.6-2.5000106.6P382 S386 R387P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact O-CA 3.43Å; P382-D384 PolarHBondContact O-N 2.88Å; D384-S386 PolarHBondContact O-N 2.86Å; D384-S386 WeakPolarHBondContact OD1-CB 3.29Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.94Å; D384-S386 PolarHBondContact OD2-OG 2.87Å; D384-R387 PolarHBondContact O-N 3.35Å
385N72.2Confident67.6Low75 Ų75124.9 Ų124.940%0.40164%0.635SS.*THydrogen-bonded Turntrans-65.3-2.1178.7-61.8-26.8000110.9K383 R387 D388 Q389K383-N385 PolarHBondContact O-N 3.02Å; K383-N385 PolarHBondContact O-OD1 2.73Å; N385-R387 PolarHBondContact O-N 3.45Å; N385-D388 PolarHBondContact O-N 3.2Å; N385-Q389 WeakPolarHBondContact O-CB 3.47Å; N385-Q389 VanDerWaalsContact O-CG 3.26Å; N385-Q389 WeakPolarHBondContact O-CG 3.45Å; N385-Q389 PolarHBondContact O-N 3.21Å
386S78.4Confident70.1Confident60 Ų60122.2 Ų122.242%0.4261%0.611SS.*Hα-helixtrans-57.6-36.4174.567.70000111.6D384 L390D384-S386 PolarHBondContact O-N 2.86Å; D384-S386 WeakPolarHBondContact OD1-CB 3.29Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.94Å; D384-S386 PolarHBondContact OD2-OG 2.87Å; S386-L390 VanDerWaalsContact O-CB 3.23Å; S386-L390 WeakPolarHBondContact O-CB 3.26Å; S386-L390 PolarHBondContact O-N 3.32Å
387R78.2Confident72Confident185 Ų185116.3 Ų116.370%0.69858%0.583SS**Hα-helixtrans-65.2-48.2175.7-175.7-179.8164.9104.90.2111.2D384 N385 Q389 L390 V391D384-R387 PolarHBondContact O-N 3.35Å; N385-R387 PolarHBondContact O-N 3.45Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 2.87Å; R387-L390 PolarHBondContact O-N 2.98Å; R387-V391 VanDerWaalsContact O-CG2 3.3Å; R387-V391 WeakPolarHBondContact O-CG2 3.44Å; R387-V391 PolarHBondContact O-N 3.36Å
388D82.9Confident74Confident97 Ų97116.1 Ų116.152%0.51958%0.575SS.*Hα-helixtrans-67-36.3-179.5-65.6-21000111.7N385 S392N385-D388 PolarHBondContact O-N 3.2Å; D388-S392 WeakPolarHBondContact O-CB 3.13Å; D388-S392 PolarHBondContact O-N 3.03Å; D388-S392 PolarHBondContact O-OG 3Å
389Q83Confident75.9Confident136 Ų136114.1 Ų114.164%0.63656%0.562SS**Hα-helixtrans-65.7-42.9172.8-73.2178.218.400111.8N385 R387 S392 F393N385-Q389 WeakPolarHBondContact O-CB 3.47Å; N385-Q389 VanDerWaalsContact O-CG 3.26Å; N385-Q389 WeakPolarHBondContact O-CG 3.45Å; N385-Q389 PolarHBondContact O-N 3.21Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 2.87Å; Q389-S392 PolarHBondContact O-N 3.01Å; Q389-F393 WeakPolarHBondContact O-CB 3.37Å; Q389-F393 PolarHBondContact O-N 3Å
390L87.7Confident77.4Confident102 Ų102115.5 Ų115.553%0.53455%0.554SS.*Hα-helixtrans-63.6-45176.9179.863.1000111.2S386 R387 S392 F393 L394S386-L390 VanDerWaalsContact O-CB 3.23Å; S386-L390 WeakPolarHBondContact O-CB 3.26Å; S386-L390 PolarHBondContact O-N 3.32Å; R387-L390 PolarHBondContact O-N 2.98Å; L390-S392 VanDerWaalsContact C-N 3.34Å; L390-S392 PolarHBondContact O-N 3.1Å; L390-F393 PolarHBondContact O-N 3.04Å; L390-L394 HydrophobicContact CD1-CD1 4.26Å; L390-L394 HydrophobicContact CD1-CG 4.35Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.21Å; L390-L394 PolarHBondContact O-N 3.2Å
391V89.3Confident78.9Confident68 Ų68113.3 Ų113.341%0.41255%0.548SS..Hα-helixtrans-61.5-44.2176.41720000110.7R387 F393 L394 M395R387-V391 VanDerWaalsContact O-CG2 3.3Å; R387-V391 WeakPolarHBondContact O-CG2 3.44Å; R387-V391 PolarHBondContact O-N 3.36Å; V391-F393 VanDerWaalsContact C-N 3.35Å; V391-F393 PolarHBondContact O-N 3.21Å; V391-L394 PolarHBondContact O-N 3.23Å; V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 WeakPolarHBondContact O-CB 3.39Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.37Å
392S88.3Confident79.7Confident81 Ų81112.4 Ų112.457%0.56654%0.539SS*.Hα-helixtrans-61.7-42.3177.3-60.50000112.2D388 Q389 L390 E396D388-S392 WeakPolarHBondContact O-CB 3.13Å; D388-S392 PolarHBondContact O-N 3.03Å; D388-S392 PolarHBondContact O-OG 3Å; Q389-S392 PolarHBondContact O-N 3.01Å; L390-S392 VanDerWaalsContact C-N 3.34Å; L390-S392 PolarHBondContact O-N 3.1Å; S392-E396 WeakPolarHBondContact O-CB 3.42Å; S392-E396 PolarHBondContact O-N 2.8Å; S392-E396 VanDerWaalsContact O-N 3.07Å
393F90.3Very high80.1Confident119 Ų119117.3 Ų117.352%0.52255%0.545SS..Hα-helixtrans-62.9-47.4175.7174.7-97.8000111.9Q389 L390 V391 M395 E396 Q397Q389-F393 WeakPolarHBondContact O-CB 3.37Å; Q389-F393 PolarHBondContact O-N 3Å; L390-F393 PolarHBondContact O-N 3.04Å; V391-F393 VanDerWaalsContact C-N 3.35Å; V391-F393 PolarHBondContact O-N 3.21Å; F393-M395 PolarHBondContact O-N 3.05Å; F393-E396 PolarHBondContact O-N 3.17Å; F393-Q397 HydrophobicContact CD1-CG 4.28Å; F393-Q397 HydrophobicContact CE1-CG 3.82Å; F393-Q397 HydrophobicContact CE2-CG 4.19Å; F393-Q397 HydrophobicContact CZ-CG 3.77Å; F393-Q397 WeakPolarHBondContact O-CG 3.12Å; F393-Q397 PolarHBondContact O-N 2.94Å
394L93.8Very high80Confident98 Ų98117.7 Ų117.751%0.51355%0.546SS..Hα-helixtrans-63-42.4179.7-71.7170.6000112L390 V391 E396 Q397 W398L390-L394 HydrophobicContact CD1-CD1 4.26Å; L390-L394 HydrophobicContact CD1-CG 4.35Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.21Å; L390-L394 PolarHBondContact O-N 3.2Å; V391-L394 PolarHBondContact O-N 3.23Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 2.9Å; L394-Q397 PolarHBondContact O-N 3.46Å; L394-W398 WeakPolarHBondContact O-CB 3.45Å; L394-W398 PolarHBondContact O-N 3.22Å
395M90.4Very high79.6Confident108 Ų108116.6 Ų116.653%0.53255%0.548SS..Hα-helixtrans-61.1-41.2175.4-78-67.4-16100112.2V391 F393 W398 R399V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 WeakPolarHBondContact O-CB 3.39Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.37Å; F393-M395 PolarHBondContact O-N 3.05Å; M395-W398 PolarHBondContact O-N 2.92Å; M395-R399 WeakPolarHBondContact O-CB 2.91Å; M395-R399 PolarHBondContact O-N 2.95Å
396E88.7Confident78.3Confident63 Ų63121.5 Ų121.529%0.29458%0.581SS.*Hα-helixtrans-67-39.9176.6179.560.6-163.800112.1S392 F393 L394 W398 R399 R400S392-E396 WeakPolarHBondContact O-CB 3.42Å; S392-E396 PolarHBondContact O-N 2.8Å; S392-E396 VanDerWaalsContact O-N 3.07Å; F393-E396 PolarHBondContact O-N 3.17Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 2.9Å; E396-W398 VanDerWaalsContact C-N 3.35Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-CZ 3.99Å; E396-R399 IonicContact OE2-NH1 2.93Å; E396-R399 PolarHBondContact OE2-NH1 2.95Å; E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.18Å; E396-R400 PolarHBondContact O-N 3.3Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 IonicContact OE1-CZ 3.35Å; E396-R400 IonicContact OE1-NE 2.84Å; E396-R400 PolarHBondContact OE1-NE 3.45Å; E396-R400 IonicContact OE1-NH2 2.99Å; E396-R400 PolarHBondContact OE1-NH2 2.83Å
397Q86.1Confident78.3Confident66 Ų66124.6 Ų124.631%0.30859%0.589SS.*Hα-helixtrans-63.9-41174-64.9-48.5-49.900111.8F393 L394 R400 F401F393-Q397 HydrophobicContact CD1-CG 4.28Å; F393-Q397 HydrophobicContact CE1-CG 3.82Å; F393-Q397 HydrophobicContact CE2-CG 4.19Å; F393-Q397 HydrophobicContact CZ-CG 3.77Å; F393-Q397 WeakPolarHBondContact O-CG 3.12Å; F393-Q397 PolarHBondContact O-N 2.94Å; L394-Q397 PolarHBondContact O-N 3.46Å; Q397-R400 PolarHBondContact O-N 3.21Å; Q397-F401 PolarHBondContact O-N 3.43Å
398W85.8Confident78.3Confident170 Ų170121.4 Ų121.464%0.64458%0.583SS**Hα-helixtrans-63.2-45.9177.4-171.172.5000111.5L394 M395 E396 R400 F401 D402L394-W398 WeakPolarHBondContact O-CB 3.45Å; L394-W398 PolarHBondContact O-N 3.22Å; M395-W398 PolarHBondContact O-N 2.92Å; E396-W398 VanDerWaalsContact C-N 3.35Å; W398-R400 VanDerWaalsContact C-N 3.25Å; W398-R400 PolarHBondContact O-N 3.4Å; W398-F401 WeakPolarHBondContact O-CB 3.22Å; W398-F401 PolarHBondContact O-N 3.29Å; W398-F401 VanDerWaalsContact O-N 3.1Å; W398-D402 PolarHBondContact O-N 3.14Å
399R83.1Confident78Confident145 Ų145122.7 Ų122.755%0.54759%0.587SS.*Hα-helixtrans-58.9-34.5175.8-124.9-173.6-83.1138.2-15.3113.3M395 E396 R403M395-R399 WeakPolarHBondContact O-CB 2.91Å; M395-R399 PolarHBondContact O-N 2.95Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-CZ 3.99Å; E396-R399 IonicContact OE2-NH1 2.93Å; E396-R399 PolarHBondContact OE2-NH1 2.95Å; R399-R403 PolarHBondContact O-N 3.03Å
400R79.9Confident77.7Confident137 Ų137121.9 Ų121.952%0.51758%0.584SS.*Hα-helixtrans-75-32.8176.9-72.1173.2-175.1-161.61113.1E396 Q397 W398E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.18Å; E396-R400 PolarHBondContact O-N 3.3Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 IonicContact OE1-CZ 3.35Å; E396-R400 IonicContact OE1-NE 2.84Å; E396-R400 PolarHBondContact OE1-NE 3.45Å; E396-R400 IonicContact OE1-NH2 2.99Å; E396-R400 PolarHBondContact OE1-NH2 2.83Å; Q397-R400 PolarHBondContact O-N 3.21Å; W398-R400 VanDerWaalsContact C-N 3.25Å; W398-R400 PolarHBondContact O-N 3.4Å
401F75.1Confident77.1Confident161 Ų161123.2 Ų123.271%0.70659%0.587SS**Hα-helixtrans-66.2-42.1173.3-103.2-81.3000110.9Q397 W398 R403 K404Q397-F401 PolarHBondContact O-N 3.43Å; W398-F401 WeakPolarHBondContact O-CB 3.22Å; W398-F401 PolarHBondContact O-N 3.29Å; W398-F401 VanDerWaalsContact O-N 3.1Å; F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 3.14Å; F401-K404 PolarHBondContact O-N 3.47Å; F401-K404 VanDerWaalsContact O-N 3.14Å
402D69.2Low76.3Confident93 Ų93126.9 Ų126.950%0.49760%0.598SS.*Hα-helixtrans-67.9-26.5-179.2-134.211000113W398 K404 S405W398-D402 PolarHBondContact O-N 3.14Å; D402-K404 VanDerWaalsContact C-N 3.34Å; D402-S405 PolarHBondContact O-OG 3.33Å
403R58.8Low75.4Confident207 Ų207130.1 Ų130.178%0.78160%0.601SS**THydrogen-bonded Turntrans-79.8-9.8174.6-80-174.8170.8-176.1-2.6114.9R399 F401R399-R403 PolarHBondContact O-N 3.03Å; F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 3.14Å
404K57.2Low74.3Confident182 Ų182131 Ų13179%0.79161%0.607SS**THydrogen-bonded Turntrans-90.1-3.6177.5-81.9177.2172-176.80113.3F401 D402F401-K404 PolarHBondContact O-N 3.47Å; F401-K404 VanDerWaalsContact O-N 3.14Å; D402-K404 VanDerWaalsContact C-N 3.34Å
405S52.9Low72.6Confident95 Ų95133.8 Ų133.866%0.66462%0.615SS**  trans-98.46.4177.654.20000113.9D402D402-S405 PolarHBondContact O-OG 3.33Å
406T44.5Very low71Confident178 Ų178136.1 Ų136.1100%1.09262%0.622SS**  trans-116.50171.5-16.60000109.8

Retrieved 406 of 406 residues in 154.9 ms (Link to these results)