A0A3Q0KCD9_SCHMA Loading...

BAT2_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 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
1M75.3Confident81.4Confident223 Ų223137 Ų137100%1.09969%0.694SS**  0118.70-82157.3148.400107.6
2S80.5Confident80.2Confident57 Ų57142.6 Ų142.640%0.39971%0.71SS.*  trans-78.4154.2-179.171.40000110.4N4 D5S2-N4 PolarHBondContact O-N 3.42Å; S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact OG-CG 3.24Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.75Å
3L85.4Confident79.2Confident139 Ų139146.8 Ų146.873%0.72872%0.722SS**Hα-helixtrans-59.5-30.1175.2-144.9114.5000111.4F6 F7L3-F6 WeakPolarHBondContact O-CB 3.42Å; L3-F6 PolarHBondContact O-N 3.17Å; L3-F7 HydrophobicContact CD2-CE2 3.94Å; L3-F7 VanDerWaalsContact O-CD2 3.27Å; L3-F7 WeakPolarHBondContact O-CD2 3.39Å
4N84.4Confident77.9Confident133 Ų133150.9 Ų150.971%0.71173%0.733SS**Hα-helixtrans-67.1-33.2174.4-87.7-5.3000113.2S2 F6 F7 A8S2-N4 PolarHBondContact O-N 3.42Å; N4-F6 VanDerWaalsContact C-N 3.26Å; N4-F6 PolarHBondContact O-N 3.34Å; N4-F7 PolarHBondContact O-N 3.22Å; N4-A8 WeakPolarHBondContact O-CB 3.27Å; N4-A8 PolarHBondContact O-N 3.47Å
5D88.7Confident76.6Confident99 Ų99148.7 Ų148.753%0.52974%0.74SS.*Hα-helixtrans-65.5-30.7176.2-69.1-44.2000112.1S2 F7S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 VanDerWaalsContact OG-CG 3.24Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.75Å; D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 3.48Å
6F89.1Confident75.4Confident166 Ų166151.4 Ų151.473%0.72875%0.746SS**Hα-helixtrans-63-40177.5-115.6-87.7000112L3 N4L3-F6 WeakPolarHBondContact O-CB 3.42Å; L3-F6 PolarHBondContact O-N 3.17Å; N4-F6 VanDerWaalsContact C-N 3.26Å; N4-F6 PolarHBondContact O-N 3.34Å
7F86Confident74.7Confident131 Ų131154.2 Ų154.258%0.57575%0.753SS**Hα-helixtrans-88.3-25.7-179.8-65.1-75.5000113.3L3 N4 D5 K9 Q10L3-F7 HydrophobicContact CD2-CE2 3.94Å; L3-F7 VanDerWaalsContact O-CD2 3.27Å; L3-F7 WeakPolarHBondContact O-CD2 3.39Å; N4-F7 PolarHBondContact O-N 3.22Å; D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 3.48Å; F7-K9 PolarHBondContact O-N 3.18Å; F7-Q10 PolarHBondContact O-N 3.28Å
8A82Confident74.3Confident63 Ų63156.6 Ų156.652%0.52176%0.758SS.*Hα-helixtrans-60.7-34.1177.900000112.1N4 Q10 N11N4-A8 WeakPolarHBondContact O-CB 3.27Å; N4-A8 PolarHBondContact O-N 3.47Å; A8-Q10 PolarHBondContact O-N 3.41Å; A8-N11 PolarHBondContact O-N 3.43Å
9K78.1Confident74Confident193 Ų193154.6 Ų154.684%0.83975%0.748SS**THydrogen-bonded Turntrans-67.4-17.6-179.4-163169.7164.7-177.50113.7F7F7-K9 PolarHBondContact O-N 3.18Å
10Q75.1Confident74Confident163 Ų163151.6 Ų151.676%0.76274%0.736SS**THydrogen-bonded Turntrans-102.2-10.8178.5-79.2-73.1-1.300114.4F7 A8 K12F7-Q10 PolarHBondContact O-N 3.28Å; A8-Q10 PolarHBondContact O-N 3.41Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.78Å; Q10-K12 VanDerWaalsContact O-N 3.15Å
11N70.7Confident74.3Confident140 Ų140148.7 Ų148.775%0.74973%0.729SS**  trans-89.533.7-171.8-94.8-29000115.8A8A8-N11 PolarHBondContact O-N 3.43Å
12K67.4Low74.5Confident204 Ų204142.3 Ų142.389%0.88770%0.702SS**  trans-100.311.5177.8-97.2-170.7175.4-178.90116Q10Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 2.78Å; Q10-K12 VanDerWaalsContact O-N 3.15Å
13K67.1Low74.5Confident197 Ų197144.9 Ų144.986%0.85771%0.708SS**SBendtrans-127.4113.1178.4-70.8-176.3178.6176.50113
14K61.1Low74.3Confident204 Ų204141.5 Ų141.589%0.88769%0.69SS**  trans58.4109.9155-62-164.1176.7-179.40117.7K16K14-K16 PolarHBondContact O-N 3.03Å
15S58.7Low74.2Confident118 Ų118141 Ų14183%0.82569%0.685SS**  trans-30.7123.1155.550.70000114K17S15-K17 PolarHBondContact O-N 3.36Å
16K56.7Low74Confident193 Ų193140.3 Ų140.384%0.83968%0.681SS**  trans-39.1120.5168.1-66.4166.1177168.90113K14K14-K16 PolarHBondContact O-N 3.03Å
17K64.2Low73.7Confident199 Ų199138.8 Ų138.887%0.86568%0.68SS**  trans-94.3107.9143.1-159162.3-174.7175.40105.1S15 Q19S15-K17 PolarHBondContact O-N 3.36Å; K17-Q19 PolarHBondContact O-N 2.86Å
18K66.3Low73.5Confident196 Ų196139.2 Ų139.285%0.85269%0.688SS**  trans-63.7100.3174.6-72.1-172176.8-177.30106.8
19Q70.2Confident73.3Confident120 Ų120141.2 Ų141.256%0.56169%0.693SS**  trans-70128.8167.9-87.7-171.4-64.900108.3K17 L24K17-Q19 PolarHBondContact O-N 2.86Å; Q19-L24 HydrophobicContact CB-CD1 4.1Å; Q19-L24 HydrophobicContact CB-CG 4.32Å
20N73.9Confident73.1Confident94 Ų94139.6 Ų139.650%0.50369%0.686SS.*  trans-68.7130.9173.7-126-31.1000107.9T22 E23 L24N20-T22 PolarHBondContact O-N 2.74Å; N20-T22 VanDerWaalsContact O-N 3.13Å; N20-E23 HydrophobicContact CB-CG 4.15Å; N20-E23 PolarHBondContact O-N 2.85Å; N20-E23 VanDerWaalsContact O-N 3.09Å; N20-L24 PolarHBondContact O-N 2.85Å
21P79.3Confident71.9Confident91 Ų91133.8 Ų133.859%0.59167%0.671SS**Hα-helixtrans-59.6-26.2-179.423.1-33.3000112.8M25P21-M25 PolarHBondContact O-N 3.21Å; P21-M25 VanDerWaalsContact O-N 3.13Å
22T80.3Confident71.2Confident88 Ų88130.8 Ų130.854%0.5467%0.672SS.*Hα-helixtrans-66.7-38.7175.751.20000113.1N20 M25 D26N20-T22 PolarHBondContact O-N 2.74Å; N20-T22 VanDerWaalsContact O-N 3.13Å; T22-M25 PolarHBondContact O-N 2.85Å; T22-D26 PolarHBondContact O-N 3.19Å
23E80.9Confident70.5Confident112 Ų112129.6 Ų129.652%0.52367%0.67SS.*Hα-helixtrans-71-34.5179-67.3178.3-17300111.8N20 D26 L27N20-E23 HydrophobicContact CB-CG 4.15Å; N20-E23 PolarHBondContact O-N 2.85Å; N20-E23 VanDerWaalsContact O-N 3.09Å; E23-D26 PolarHBondContact O-N 3.03Å; E23-L27 PolarHBondContact O-N 3.22Å
24L80.4Confident69.8Low67 Ų67126 Ų12635%0.35167%0.665SS.*Hα-helixtrans-66.8-40173.9-76.4171.4000111.6Q19 N20 L27 L28Q19-L24 HydrophobicContact CB-CD1 4.1Å; Q19-L24 HydrophobicContact CB-CG 4.32Å; N20-L24 PolarHBondContact O-N 2.85Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-N 3.08Å
25M81.3Confident69.3Low122 Ų122125 Ų12560%0.60167%0.668SS**Hα-helixtrans-64.7-40.7173.9-108.857.2171.400112.1P21 T22 L27 L28 T29P21-M25 PolarHBondContact O-N 3.21Å; P21-M25 VanDerWaalsContact O-N 3.13Å; T22-M25 PolarHBondContact O-N 2.85Å; M25-L27 VanDerWaalsContact C-N 3.35Å; M25-L27 PolarHBondContact O-N 3.34Å; M25-L28 PolarHBondContact O-N 2.95Å; M25-T29 WeakPolarHBondContact O-CB 3.44Å; M25-T29 VanDerWaalsContact O-CG2 3.26Å; M25-T29 WeakPolarHBondContact O-CG2 3.43Å; M25-T29 PolarHBondContact O-N 3.48Å; M25-T29 PolarHBondContact O-OG1 3.14Å
26D84.8Confident68.9Low85 Ų85128.1 Ų128.146%0.45567%0.666SS.*Hα-helixtrans-63.9-39.4176.1-87.68.1000112T22 E23 T29 K30T22-D26 PolarHBondContact O-N 3.19Å; E23-D26 PolarHBondContact O-N 3.03Å; D26-T29 WeakPolarHBondContact CA-OG1 3.37Å; D26-T29 PolarHBondContact O-OG1 3.17Å; D26-K30 VanDerWaalsContact O-CB 3.3Å; D26-K30 WeakPolarHBondContact O-CB 3.49Å; D26-K30 PolarHBondContact O-N 3.38Å; D26-K30 IonicContact OD2-NZ 3.94Å
27L83.5Confident68.3Low135 Ų135123.7 Ų123.771%0.70766%0.66SS**Hα-helixtrans-64-40.6174.9-113.477.1000112.4E23 L24 M25E23-L27 PolarHBondContact O-N 3.22Å; L24-L27 PolarHBondContact O-N 2.97Å; M25-L27 VanDerWaalsContact C-N 3.35Å; M25-L27 PolarHBondContact O-N 3.34Å
28L81.2Confident67.4Low140 Ų140125.1 Ų125.173%0.73366%0.662SS**Hα-helixtrans-74.6-32.6180-71.7168.4000112.7L24 M25L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 3.34Å; L24-L28 VanDerWaalsContact O-N 3.08Å; M25-L28 PolarHBondContact O-N 2.95Å
29T78.5Confident66.4Low104 Ų104120.6 Ų120.664%0.63865%0.652SS**Hα-helixtrans-87.7-29.1-176.854.10000113.7M25 D26 G31M25-T29 WeakPolarHBondContact O-CB 3.44Å; M25-T29 VanDerWaalsContact O-CG2 3.26Å; M25-T29 WeakPolarHBondContact O-CG2 3.43Å; M25-T29 PolarHBondContact O-N 3.48Å; M25-T29 PolarHBondContact O-OG1 3.14Å; D26-T29 WeakPolarHBondContact CA-OG1 3.37Å; D26-T29 PolarHBondContact O-OG1 3.17Å; T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.4Å
30K73.1Confident65Low159 Ų159123.3 Ų123.369%0.69167%0.665SS**SBendtrans-80-6.6179.4-77176.7177162.70114.8D26D26-K30 VanDerWaalsContact O-CB 3.3Å; D26-K30 WeakPolarHBondContact O-CB 3.49Å; D26-K30 PolarHBondContact O-N 3.38Å; D26-K30 IonicContact OD2-NZ 3.94Å
31G50.2Low63.6Low42 Ų42124.6 Ų124.643%0.43368%0.681SS.*  trans75.6119.5165.200000113.7T29 E33T29-G31 VanDerWaalsContact C-N 3.29Å; T29-G31 PolarHBondContact O-N 3.4Å; G31-E33 PolarHBondContact O-N 3.28Å
32G55.9Low61.7Low76 Ų76127.5 Ų127.578%0.78469%0.692SS**  52.222.8121.100000119.8V34G32-V34 PolarHBondContact O-N 3.02Å
33E54.1Low59.8Low179 Ų179127.5 Ų127.584%0.83670%0.701SS**  trans-7386.5168.8-69.8-173.4-16000108.8G31 L35G31-E33 PolarHBondContact O-N 3.28Å; E33-L35 PolarHBondContact O-N 2.82Å
34V50.7Low57.9Low123 Ų123128.4 Ų128.475%0.74572%0.716SS**  trans-10.5109.8151.4-166.40000110.8G32 K36G32-V34 PolarHBondContact O-N 3.02Å; V34-K36 PolarHBondContact O-N 2.8Å
35L51.8Low56.2Low181 Ų181133.9 Ų133.995%0.94874%0.74SS**  trans-56.194.5165.6-79.3165.6000107.9E33E33-L35 PolarHBondContact O-N 2.82Å
36K48.8Very low54.4Low184 Ų184136.5 Ų136.580%0.875%0.751SS**  trans-87.7114.4-178.9-166.3157.5-178173.50107.8V34V34-K36 PolarHBondContact O-N 2.8Å
37S45.4Very low52.7Low101 Ų101139.5 Ų139.571%0.70677%0.767SS**  trans50.9104.4153.8610000117.8
38Y44.7Very low50.9Low229 Ų229142.2 Ų142.290%0.89877%0.773SS**  trans-106.6126.5143.7-143-91.1000107.4
39P44.7Very low48.7Very low100 Ų100139.9 Ų139.965%0.64977%0.774SS**  trans-82.9139.9179.632.7-30.2000111
40E41.8Very low47.1Very low177 Ų177142.3 Ų142.383%0.82778%0.781SS**  trans61.498133.5-148.1166.7-150.100118.1
41S43.3Very low45.7Very low121 Ų121140.1 Ų140.185%0.84679%0.786SS**  trans-149.2124134.760.70000110.8
42N40.6Very low45.6Very low153 Ų153142.5 Ų142.582%0.81880%0.796SS**  trans-59132.1175.7-75.6-72.6000112.3
43A41.1Very low45.7Very low88 Ų88147.9 Ų147.973%0.72780%0.801SS**  trans-169.8119.1142.700000109.7Q45A43-Q45 PolarHBondContact O-N 2.82Å
44P39.3Very low45.6Very low131 Ų131147.1 Ų147.185%0.85180%0.795SS**  trans-85.6111.4168.632.3-24.6000107.9
45Q45.6Very low45.9Very low182 Ų182148.7 Ų148.785%0.8580%0.799SS**  trans-138.6114.7162.3-126.6-172.1-18.200110.3A43 N47A43-Q45 PolarHBondContact O-N 2.82Å; Q45-N47 PolarHBondContact O-N 2.89Å
46E43.2Very low46.4Very low176 Ų176147.8 Ų147.882%0.82280%0.795SS**  trans-32.7126.4161.3-61168.3158.100110.9
47N48.3Very low47.3Very low148 Ų148146.3 Ų146.379%0.79179%0.791SS**  trans176.8117.8139.8-91.6-54.2000110.6Q45Q45-N47 PolarHBondContact O-N 2.89Å
48K45.9Very low48.7Very low193 Ų193152.9 Ų152.984%0.83980%0.801SS**  trans43.4101.1148.1-74.8-179.8173176.80118.3
49A35.4Very low49.8Very low91 Ų91150.5 Ų150.575%0.75280%0.798SS**  25.211212300000116.8
50I45.5Very low51Low155 Ų155153.1 Ų153.180%0.79580%0.804SS**  -170.598.5126-81.6136.1000104.9S52I50-S52 PolarHBondContact O-N 2.85Å
51S44.2Very low52.2Low112 Ų112150 Ų15078%0.78379%0.793SS**  trans-80.289.8167.353.40000108.1E53S51-E53 PolarHBondContact O-N 2.91Å
52S48.1Very low53.2Low93 Ų93148 Ų14865%0.6577%0.772SS**  trans-98.456.6-179.359.70000112.1I50I50-S52 PolarHBondContact O-N 2.85Å
53E56.8Low54.2Low188 Ų188148.1 Ų148.188%0.87977%0.773SS**SBendtrans-143.123.4177-154.8165.2-16300113S51S51-E53 PolarHBondContact O-N 2.91Å
54K51.9Low55.3Low163 Ų163152.1 Ų152.171%0.70978%0.777SS**  trans-128.312.7178.9-78.6-157.3172.180.10114.7D56K54-D56 VanDerWaalsContact C-N 3.29Å; K54-D56 PolarHBondContact O-N 2.88Å
55D57.8Low56.7Low156 Ų156152.9 Ų152.983%0.83477%0.767SS**THydrogen-bonded Turntrans-84.84.7-174.7-71.7-21000114.3
56D62.4Low57.9Low163 Ų163153 Ų15387%0.87277%0.767SS**THydrogen-bonded Turntrans-118.312.9-175.3-129.17.6000113.5K54K54-D56 VanDerWaalsContact C-N 3.29Å; K54-D56 PolarHBondContact O-N 2.88Å
57E68.1Low59.5Low153 Ų153150.3 Ų150.372%0.71576%0.757SS**SBendtrans-106.296.5168.3-158.3161.2-151.200105.4E59E57-E59 PolarHBondContact O-N 2.92Å
58W73.5Confident60.9Low239 Ų239147.2 Ų147.291%0.90574%0.74SS**  trans-43.1108.5168.1-78.790.5000107.3I60W58-I60 PolarHBondContact O-N 3.45Å
59E69Low62.4Low179 Ų179143.8 Ų143.884%0.83673%0.731SS**  trans-56.8113.2179.3-69.3-123.9155.200106.1E57 I61E57-E59 PolarHBondContact O-N 2.92Å; E59-I61 VanDerWaalsContact C-N 3.26Å; E59-I61 PolarHBondContact O-N 3.24Å
60I70.4Confident64.5Low154 Ų154148 Ų14879%0.7974%0.735SS**  trans-60.8104169.2-62.2160000102.9W58 D62W58-I60 PolarHBondContact O-N 3.45Å; I60-D62 PolarHBondContact O-N 3.46Å
61I66.2Low66Low113 Ų113146.6 Ų146.658%0.57973%0.729SS**  trans-53.3113.7172.5-64.4172.2000104.2E59 D63 I67E59-I61 VanDerWaalsContact C-N 3.26Å; E59-I61 PolarHBondContact O-N 3.24Å; I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.1Å; I61-I67 HydrophobicContact CG2-CD1 4.36Å
62D63.6Low67.7Low78 Ų78146.6 Ų146.642%0.41772%0.719SS.*  trans-57.6100.4177.2-161.36.4000106.2I60 E64 K65I60-D62 PolarHBondContact O-N 3.46Å; D62-E64 PolarHBondContact O-N 3.12Å; D62-K65 HydrophobicContact CB-CD 4.28Å; D62-K65 HydrophobicContact CB-CG 4.35Å; D62-K65 PolarHBondContact O-N 3.13Å; D62-K65 IonicContact OD2-NZ 3.91Å
63D62.6Low69.4Low155 Ų155151.7 Ų151.783%0.82972%0.724SS**THydrogen-bonded Turntrans-57.7-13.9-175.5-70.2-33.9000111.6I61I61-D63 VanDerWaalsContact C-N 3.34Å; I61-D63 PolarHBondContact O-N 3.1Å
64E64.6Low70.5Confident173 Ų173148.4 Ų148.481%0.80872%0.717SS**THydrogen-bonded Turntrans-78.8-14.8174-66.9-174.5173.700114.4D62 E66D62-E64 PolarHBondContact O-N 3.12Å; E64-E66 PolarHBondContact O-N 3.43Å
65K68Low71.9Confident147 Ų147148.9 Ų148.964%0.63972%0.715SS**SBendtrans-87.991170.4-67.3176.9-169.3162.20108.1D62 I67D62-K65 HydrophobicContact CB-CD 4.28Å; D62-K65 HydrophobicContact CB-CG 4.35Å; D62-K65 PolarHBondContact O-N 3.13Å; D62-K65 IonicContact OD2-NZ 3.91Å; K65-I67 PolarHBondContact O-N 3.42Å
66E71.2Confident72.8Confident185 Ų185148.7 Ų148.786%0.86471%0.714SS**  trans-47.199.6167.6-64.4176.5-176.300109.3E64 D68E64-E66 PolarHBondContact O-N 3.43Å; E66-D68 PolarHBondContact O-N 3.09Å
67I75.2Confident73.2Confident118 Ų118148.6 Ų148.661%0.60571%0.712SS**  trans-61.7114.7173.2-59.9173.6000105.3I61 K65 L69I61-I67 HydrophobicContact CG2-CD1 4.36Å; K65-I67 PolarHBondContact O-N 3.42Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 HydrophobicContact CG2-CD2 4.15Å; I67-L69 WeakPolarHBondContact O-CG 3.3Å; I67-L69 PolarHBondContact O-N 3.03Å
68D78.3Confident73Confident83 Ų83146.2 Ų146.244%0.44471%0.713SS.*  trans-67.690.6-177.4-176.98.3000110.7E66 Q70 N71E66-D68 PolarHBondContact O-N 3.09Å; D68-Q70 PolarHBondContact O-N 3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CG 3.26Å; D68-Q70 PolarHBondContact OD1-N 3.39Å; D68-N71 PolarHBondContact OD2-ND2 3.39Å
69L78.7Confident72.2Confident122 Ų122139.8 Ų139.864%0.63970%0.704SS**G310 helixtrans-74.5-8.4176.8-59178.3000112.2I67 N71 I72I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 HydrophobicContact CG2-CD2 4.15Å; I67-L69 WeakPolarHBondContact O-CG 3.3Å; I67-L69 PolarHBondContact O-N 3.03Å; L69-N71 PolarHBondContact O-N 3.13Å; L69-I72 HydrophobicContact CD2-CD1 3.74Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-I72 VanDerWaalsContact O-N 3.14Å
70Q78.5Confident71.2Confident179 Ų179136.7 Ų136.784%0.83670%0.698SS**G310 helixtrans-68.7-21.8-179.2-55.9-171.5-9.600112.3D68 I72D68-Q70 PolarHBondContact O-N 3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CG 3.26Å; D68-Q70 PolarHBondContact OD1-N 3.39Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.73Å
71N78Confident70.2Confident126 Ų126135.8 Ų135.867%0.67469%0.693SS**G310 helixtrans-80.8-9.4177.3-57-30.7000112.8D68 L69 R73D68-N71 PolarHBondContact OD2-ND2 3.39Å; L69-N71 PolarHBondContact O-N 3.13Å; N71-R73 PolarHBondContact O-N 3.08Å; N71-R73 VanDerWaalsContact O-N 3.17Å
72I79.1Confident69.2Low112 Ų112135.4 Ų135.457%0.57470%0.696SS**  trans-85.990.5178-54.6-179.1000108.9L69 Q70 V74L69-I72 HydrophobicContact CD2-CD1 3.74Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-I72 VanDerWaalsContact O-N 3.14Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 PolarHBondContact O-N 2.73Å; I72-V74 PolarHBondContact O-N 2.89Å; I72-V74 VanDerWaalsContact O-N 3.12Å
73R82.5Confident68.5Low200 Ų200137.4 Ų137.476%0.75571%0.707SS**  trans-75.6100.9174.9-147.8174.7-159.8-1656.5109.8N71 Y75N71-R73 PolarHBondContact O-N 3.08Å; N71-R73 VanDerWaalsContact O-N 3.17Å; R73-Y75 HydrophobicContact CG-CE2 4.45Å; R73-Y75 PolarHBondContact O-N 3.49Å; R73-Y75 VanDerWaalsContact O-N 3.1Å
74V80.9Confident67.9Low119 Ų119137.4 Ų137.472%0.72171%0.707SS**  trans-71103.4170.5-175.80000108I72 N76I72-V74 PolarHBondContact O-N 2.89Å; I72-V74 VanDerWaalsContact O-N 3.12Å; V74-N76 PolarHBondContact O-N 3.31Å
75Y82.4Confident67.1Low173 Ų173134.2 Ų134.268%0.67870%0.704SS**  trans-74.9121.5168.1-95.1-91.2000108.8R73 L77R73-Y75 HydrophobicContact CG-CE2 4.45Å; R73-Y75 PolarHBondContact O-N 3.49Å; R73-Y75 VanDerWaalsContact O-N 3.1Å; Y75-L77 PolarHBondContact O-N 3.45Å
76N74.9Confident66.2Low152 Ų152130.8 Ų130.881%0.81370%0.703SS**  trans-61.7102.1168.1-73.5-28.4000108.2V74 S78V74-N76 PolarHBondContact O-N 3.31Å; N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 2.98Å
77L71.1Confident65.1Low160 Ų160131.8 Ų131.884%0.83870%0.704SS**  trans-67.693.9165.3-80.4150.3000106.6Y75 S79Y75-L77 PolarHBondContact O-N 3.45Å; L77-S79 PolarHBondContact O-N 2.95Å
78S64Low63.8Low104 Ų104132.5 Ų132.573%0.72771%0.709SS**  trans-6690.1166.759.40000107.1N76 T80N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 2.98Å; S78-T80 PolarHBondContact O-N 2.92Å
79S57.6Low62Low103 Ų103136.5 Ų136.572%0.7273%0.73SS**  trans-60.995.2160.3-50.70000105.6L77 I81L77-S79 PolarHBondContact O-N 2.95Å; S79-I81 PolarHBondContact O-N 3.23Å
80T47.3Very low60.4Low115 Ų115135.7 Ų135.771%0.70674%0.735SS**  trans-61.793.5159.748.70000105S78 T82S78-T80 PolarHBondContact O-N 2.92Å; T80-T82 PolarHBondContact O-N 3.19Å
81I50.4Low58.8Low134 Ų134136.1 Ų136.169%0.68773%0.734SS**  trans-53.195.5154.6-71.5166.4000103.5S79 D83S79-I81 PolarHBondContact O-N 3.23Å; I81-D83 PolarHBondContact O-N 3.48Å
82T44.9Very low57Low105 Ų105136.4 Ų136.464%0.64474%0.74SS**  trans-63.793.3160.335.80000104.9T80 D84T80-T82 PolarHBondContact O-N 3.19Å; T82-D84 PolarHBondContact O-N 2.7Å
83D47.8Very low55.5Low121 Ų121139.6 Ų139.665%0.64775%0.75SS**  trans-59.475.9163.2-83.1-38.5000108.7I81 S85I81-D83 PolarHBondContact O-N 3.48Å; D83-S85 PolarHBondContact O-N 2.64Å
84D49.6Very low53.7Low154 Ų154135.9 Ų135.982%0.82475%0.745SS**THydrogen-bonded Turntrans-77.435170.9-82.4-26.9000111.6T82T82-D84 PolarHBondContact O-N 2.7Å
85S49.6Very low51.9Low107 Ų107135.2 Ų135.275%0.74875%0.746SS**THydrogen-bonded Turntrans-132.418.6-176.774.40000115.3D83D83-S85 PolarHBondContact O-N 2.64Å
86A49.2Very low50.2Low74 Ų74136.1 Ų136.161%0.61275%0.748SS**  trans-132.625-171.500000117N88A86-N88 PolarHBondContact O-ND2 2.84Å
87K47.9Very low49Very low206 Ų206136 Ų13690%0.89674%0.742SS**  trans-125.275.8168.1-147.5166.2-171.7170.70110.7
88N46.8Very low47.8Very low133 Ų133131.6 Ų131.671%0.71174%0.736SS**  50.290.398.4-77-50.9000113.8A86A86-N88 PolarHBondContact O-ND2 2.84Å
89L40.6Very low46.8Very low167 Ų167135.2 Ų135.287%0.87475%0.747SS**  48.284.6108.6-145.582.6000115.2
90S46Very low46.2Very low106 Ų106133 Ų13374%0.74174%0.74SS**  trans179127.713647.90000113.1
91K44.5Very low46Very low188 Ų188136.3 Ų136.382%0.81775%0.748SS**  trans56.199.3138.5-69.5-179.2178.4173.40118
92T40.6Very low45.9Very low132 Ų132134.9 Ų134.981%0.8175%0.75SS**  57.5113.298.449.40000115.7
93K46.7Very low46.1Very low179 Ų179135 Ų13578%0.77875%0.75SS**  109.6131.8128.2-137.9-166.4168.3-173.20117
94D45.9Very low46Very low122 Ų122135.7 Ų135.765%0.65276%0.759SS**  trans76.498.9160.7-59.5-35000116
95S42.1Very low46.3Very low105 Ų105134.9 Ų134.973%0.73475%0.75SS**  81.211974.3-167.60000111.4
96R46.7Very low46.2Very low192 Ų192138.8 Ų138.873%0.72575%0.753SS**  trans113.7114.1131.9-156.8161.1-163.4-143.7-24.1117.6
97E50Low46.5Very low148 Ų148142.4 Ų142.469%0.69276%0.755SS**  trans62.8126.9146.9-67149-167.700117.1
98G45.1Very low46.7Very low68 Ų68138.4 Ų138.470%0.70175%0.748SS**  cis121.9138.840.500000107
99D42.8Very low46.6Very low180 Ų180142.8 Ų142.896%0.96375%0.754SS**  trans75.1138.1168.8-143.736.6000115.5
100G45.1Very low46.6Very low57 Ų57139.8 Ų139.859%0.58875%0.754SS**  cis167.8134.27.900000106.8
101E44.4Very low46.7Very low185 Ų185139.4 Ų139.486%0.86476%0.757SS**  trans58.8123.9144.2-157140.4-167.500123.4
102S48.6Very low47.3Very low103 Ų103139.7 Ų139.772%0.7276%0.758SS**  trans71.3134.9150.675.60000115.8
103V47.8Very low47.5Very low109 Ų109139.4 Ų139.466%0.66176%0.759SS**  -161.9138.361.91610000108.6E105V103-E105 HydrophobicContact CG1-CG 4.06Å; V103-E105 PolarHBondContact O-N 3.34Å
104V46.3Very low47.9Very low135 Ų135137.8 Ų137.882%0.81876%0.764SS**  trans-81.1107.5175.8-158.40000108.6
105E54.9Low48.2Very low137 Ų137140.8 Ų140.864%0.6477%0.773SS**  trans-126.1106.7169.2-86.1-171.1-152.500112.1V103 K107V103-E105 HydrophobicContact CG1-CG 4.06Å; V103-E105 PolarHBondContact O-N 3.34Å; E105-K107 IonicContact OE2-NZ 2.85Å; E105-K107 PolarHBondContact OE2-NZ 3.14Å
106K47.8Very low48.6Very low189 Ų189140.1 Ų140.182%0.82278%0.775SS**  trans-67.9118.6166.8-63.4167.5177.9169.90109.6
107K54.8Low48.7Very low150 Ų150136.6 Ų136.665%0.65278%0.777SS**  trans-141.7102.9162.8-90.1152.4-179.5153.70105E105E105-K107 IonicContact OE2-NZ 2.85Å; E105-K107 PolarHBondContact OE2-NZ 3.14Å
108V52.3Low49.2Very low122 Ų122138.1 Ų138.174%0.73978%0.784SS**  cis63.849.448.2-155.90000114.2
109W45.8Very low49.5Very low224 Ų224140.5 Ų140.585%0.84879%0.787SS**  trans-143.2109.8161.8-68.885.5000111.5
110A39.5Very low50.2Low104 Ų104138.9 Ų138.986%0.8678%0.783SS**  trans-54.7131149.700000108.8
111A49.2Very low50.8Low98 Ų98145.3 Ų145.381%0.8180%0.798SS**  trans-139.9120.4163.500000108.8
112K55.9Low50.9Low195 Ų195140.9 Ų140.985%0.84879%0.793SS**  trans-57.5162179.5-99.3171.9168.7174.80113.2
113P46.1Very low51.3Low126 Ų126142.1 Ų142.182%0.81880%0.796SS**  trans-73.8139.9-173.232.6-33.6000110.9
114V54.9Low51.5Low145 Ų145143.4 Ų143.488%0.87980%0.804SS**  trans-106.2127.7170.8170.80000108.7
115E51.4Low52.2Low184 Ų184144.9 Ų144.986%0.8680%0.802SS**  trans-71.2150.8-176.2-174.1174.417100113
116A51.1Low52.8Low92 Ų92143.6 Ų143.676%0.7681%0.805SS**  trans-70.5160.9-174.700000114.4
117P48.7Very low53.7Low118 Ų118139.9 Ų139.977%0.76680%0.8SS**  -143.4167.2104.121.51.4000111.2
118E61.6Low54.1Low180 Ų180138.7 Ų138.784%0.84181%0.808SS**  cis-165.7170.116-121.1177.2-172.700107.2
119P49.7Very low54.9Low117 Ų117141.7 Ų141.776%0.7681%0.811SS**  trans-90.7137.5-153.536.1-35.6000114
120V57.9Low56Low146 Ų146136.4 Ų136.489%0.88581%0.805SS**  trans-118.9104.2166.7-72.80000110.6
121E58.9Low57.4Low193 Ų193139.4 Ų139.490%0.90281%0.807SS**  trans24.2127.4147.1-131.9166.6-175.800120.9
122A46.6Very low58.9Low92 Ų92140.3 Ų140.376%0.7680%0.802SS**  trans-74.4131.3-169.700000114.6
123V55.5Low60.1Low129 Ų129139 Ų13978%0.78279%0.793SS**  trans-115.5108.8152.71790000107.6Q125V123-Q125 PolarHBondContact O-N 3.44Å
124V53Low61.7Low136 Ų136136.6 Ų136.682%0.82477%0.772SS**  trans-64.598.9178.8178.20000109
125Q60.2Low62.8Low166 Ų166132.3 Ų132.378%0.77675%0.747SS**PPolyproline II helixtrans-84.5135.6167.1-70.6-17448.400109.2V123V123-Q125 PolarHBondContact O-N 3.44Å
126P67Low63.7Low109 Ų109125.1 Ų125.171%0.70872%0.72SS**PPolyproline II helixtrans-62.2147.3179.227.2-33.9000110.2
127P67.4Low64.8Low112 Ų112125.4 Ų125.473%0.72771%0.714SS**PPolyproline II helixtrans-59131.6-177.625-33.4000109.5K129P127-K129 PolarHBondContact O-N 3.24Å; P127-K129 VanDerWaalsContact O-N 3.13Å
128P63.2Low65.8Low124 Ų124125.7 Ų125.781%0.80571%0.708SS**PPolyproline II helixtrans-58.1124.6171.323.9-30.7000107.3
129K69.7Low66.6Low185 Ų185122.7 Ų122.780%0.80469%0.689SS**PPolyproline II helixtrans-50.5134.5176.2-62.2175.2-175.8173.20107.6P127 N131P127-K129 PolarHBondContact O-N 3.24Å; P127-K129 VanDerWaalsContact O-N 3.13Å; K129-N131 PolarHBondContact O-N 3.26Å; K129-N131 VanDerWaalsContact O-N 3.08Å
130P67.7Low67.5Low114 Ų114125.8 Ų125.874%0.7470%0.698SS**PPolyproline II helixtrans-56.2124.1178.824.3-32.9000107.8V132P130-V132 PolarHBondContact O-N 2.98Å
131N69.6Low67.7Low167 Ų167122.6 Ų122.689%0.89370%0.696SS**  trans-64.186.6176.5-75.7-33000108.3K129 Y133K129-N131 PolarHBondContact O-N 3.26Å; K129-N131 VanDerWaalsContact O-N 3.08Å; N131-Y133 PolarHBondContact O-N 3.24Å; N131-Y133 VanDerWaalsContact O-N 3.14Å
132V80.3Confident67.2Low116 Ų116115.8 Ų115.870%0.70368%0.677SS**  trans-65.4114.2170.9177.20000106.5P130 I134P130-V132 PolarHBondContact O-N 2.98Å; V132-I134 PolarHBondContact O-N 3.19Å
133Y82.3Confident67.5Low169 Ų169114.1 Ų114.166%0.66366%0.66SS**  trans-63.2111.5174.7176.2-100.6000109.1N131 P135N131-Y133 PolarHBondContact O-N 3.24Å; N131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-P135 HydrophobicContact CD1-CG 4.45Å; Y133-P135 HydrophobicContact CE1-CB 4.35Å; Y133-P135 HydrophobicContact CE1-CG 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.47Å
134I79Confident67.3Low74 Ų74111.9 Ų111.938%0.37966%0.663SS.*  trans-89.8119.8168.8-56.8176.9000106.9V132 L138 R139V132-I134 PolarHBondContact O-N 3.19Å; I134-L138 HydrophobicContact CG2-CB 3.61Å; I134-L138 VanDerWaalsContact CG2-O 3.32Å; I134-L138 WeakPolarHBondContact CG2-O 3.5Å; I134-R139 HydrophobicContact CB-CG 3.96Å; I134-R139 HydrophobicContact CG2-CB 4.48Å; I134-R139 HydrophobicContact CG2-CG 3.81Å; I134-R139 VanDerWaalsContact O-CZ 3.25Å; I134-R139 PolarHBondContact O-NE 3.02Å; I134-R139 PolarHBondContact O-NH2 3.2Å
135P78.7Confident67.1Low55 Ų55110 Ų11036%0.35766%0.655SS.*  trans-52.5142.8174.2-26.434.9000111Y133 P137 L138 R139Y133-P135 HydrophobicContact CD1-CG 4.45Å; Y133-P135 HydrophobicContact CE1-CB 4.35Å; Y133-P135 HydrophobicContact CE1-CG 4.2Å; Y133-P135 WeakPolarHBondContact O-CD 3.47Å; P135-P137 WeakPolarHBondContact O-CD 3.37Å; P135-L138 HydrophobicContact CG-CD1 4.3Å; P135-L138 PolarHBondContact O-N 3.14Å; P135-R139 PolarHBondContact O-N 3.15Å
136A69.6Low67Low34 Ų34104.4 Ų104.428%0.28164%0.642SS.*G310 helixtrans-44.9-38.3-177.300000115.5L138 S143A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.25Å; A136-S143 WeakPolarHBondContact O-CA 3.4Å; A136-S143 WeakPolarHBondContact O-CB 3.48Å; A136-S143 PolarHBondContact O-N 2.95Å
137P73.7Confident66.5Low98 Ų98105.5 Ų105.564%0.63665%0.649SS**G310 helixtrans-66.7-24.3176.8-17.330.2000114.9P135P135-P137 WeakPolarHBondContact O-CD 3.37Å
138L70.5Confident66.3Low124 Ų124106 Ų10665%0.64965%0.649SS**G310 helixtrans-104.4-0.6-169.7-63.4177.2000113.3I134 P135 A136 L140I134-L138 HydrophobicContact CG2-CB 3.61Å; I134-L138 VanDerWaalsContact CG2-O 3.32Å; I134-L138 WeakPolarHBondContact CG2-O 3.5Å; P135-L138 HydrophobicContact CG-CD1 4.3Å; P135-L138 PolarHBondContact O-N 3.14Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 3.25Å; L138-L140 PolarHBondContact O-N 3.28Å
139R79.1Confident66.5Low116 Ų116103.9 Ų103.944%0.43864%0.642SS.*SBendtrans-69.5128.1175.7-66.8178.8-174147.34.8109.1I134 P135 G141 G142I134-R139 HydrophobicContact CB-CG 3.96Å; I134-R139 HydrophobicContact CG2-CB 4.48Å; I134-R139 HydrophobicContact CG2-CG 3.81Å; I134-R139 VanDerWaalsContact O-CZ 3.25Å; I134-R139 PolarHBondContact O-NE 3.02Å; I134-R139 PolarHBondContact O-NH2 3.2Å; P135-R139 PolarHBondContact O-N 3.15Å; R139-G141 PolarHBondContact O-N 3.26Å; R139-G142 PolarHBondContact O-N 3.05Å
140L67.6Low66.6Low182 Ų182100.6 Ų100.695%0.95364%0.64SS**THydrogen-bonded Turntrans-58.7100.9166.8-81.3103.4000107.7L138L138-L140 PolarHBondContact O-N 3.28Å
141G61.7Low67Low80 Ų80103.1 Ų103.183%0.82564%0.639SS**THydrogen-bonded Turntrans140-13.9-16700000113.2R139R139-G141 PolarHBondContact O-N 3.26Å
142G49.7Very low67.4Low50 Ų5099.7 Ų99.752%0.51563%0.626SS.*  trans73.3128.417600000111.1R139 G144R139-G142 PolarHBondContact O-N 3.05Å; G142-G144 PolarHBondContact O-N 3.18Å
143S52.2Low67.4Low57 Ų5798.1 Ų98.140%0.39961%0.614SS.*  trans-42.4139.8158.3-178.70000109A136 C145A136-S143 WeakPolarHBondContact O-CA 3.4Å; A136-S143 WeakPolarHBondContact O-CB 3.48Å; A136-S143 PolarHBondContact O-N 2.95Å; S143-C145 PolarHBondContact O-N 2.83Å
144G50.5Low67.4Low82 Ų8295.6 Ų95.685%0.84562%0.616SS**  trans-62.549.2177.100000114.7G142 G146G142-G144 PolarHBondContact O-N 3.18Å; G144-G146 PolarHBondContact O-N 3.09Å
145C48.8Very low67.6Low96 Ų9697.7 Ų97.765%0.64963%0.632SS**  trans-67.383.9153.6-82.20000107.1S143S143-C145 PolarHBondContact O-N 2.83Å
146G59.4Low67.7Low49 Ų4996.5 Ų96.551%0.50563%0.625SS.*  trans-47.3161.3140.800000109.7G144 V148G144-G146 PolarHBondContact O-N 3.09Å; G146-V148 PolarHBondContact O-N 2.91Å
147P56.1Low68.3Low132 Ų13299.5 Ų99.586%0.85764%0.644SS**SBendtrans-40.8115.6-167.519.9-33.7000109.7A149P147-A149 PolarHBondContact O-N 2.79Å
148V62.5Low68.7Low121 Ų121102.6 Ų102.673%0.73365%0.652SS**  trans-44.1113.4-176.7-164.10000105.9G146G146-V148 PolarHBondContact O-N 2.91Å
149A67Low69.4Low80 Ų80101.6 Ų101.666%0.66165%0.647SS**  trans-49.6126.3178.600000106.1P147 K151P147-A149 PolarHBondContact O-N 2.79Å; A149-K151 PolarHBondContact O-N 2.87Å
150P73.4Confident69.8Low117 Ų117100.5 Ų100.576%0.7665%0.646SS**  trans-51.2134.6-177.119.3-30.2000107.4P152P150-P152 VanDerWaalsContact O-N 3.12Å
151K74.8Confident70.6Confident167 Ų16796.9 Ų96.973%0.72663%0.633SS**  trans-45.2127.9-179.6-71.2175.9-178.6172.20107.3A149 N153A149-K151 PolarHBondContact O-N 2.87Å; K151-N153 PolarHBondContact O-N 2.84Å; K151-N153 VanDerWaalsContact O-N 3.13Å
152P78.1Confident71.6Confident94 Ų9497 Ų9761%0.6162%0.618SS**  trans-56.1127-175.925.7-35.2000107.9P150 V154 F160P150-P152 VanDerWaalsContact O-N 3.12Å; P152-V154 PolarHBondContact O-N 3.28Å; P152-F160 HydrophobicContact CB-CE2 3.83Å; P152-F160 HydrophobicContact CB-CZ 3.84Å; P152-F160 HydrophobicContact CG-CZ 4.35Å
153N81.9Confident72.8Confident83 Ų83101.6 Ų101.644%0.44463%0.63SS.*  trans-76.699.2-171-176.67000109.6K151 T155 S156 F160K151-N153 PolarHBondContact O-N 2.84Å; K151-N153 VanDerWaalsContact O-N 3.13Å; N153-T155 PolarHBondContact ND2-OG1 2.99Å; N153-T155 PolarHBondContact O-N 3.35Å; N153-T155 PolarHBondContact OD1-N 2.89Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.31Å; N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; N153-F160 VanDerWaalsContact O-CD2 3.31Å; N153-F160 WeakPolarHBondContact O-CD2 3.32Å
154V82.1Confident74.1Confident116 Ų116104.1 Ų104.170%0.70364%0.639SS**THydrogen-bonded Turntrans-62.5-10.1179.3-62.10000114.3P152 F160P152-V154 PolarHBondContact O-N 3.28Å; V154-F160 HydrophobicContact CG1-CE2 4.36Å
155T82.6Confident74.8Confident119 Ų119103.1 Ų103.173%0.7362%0.623SS**THydrogen-bonded Turntrans-97.1-8.4174.469.40000113.6N153 S157N153-T155 PolarHBondContact ND2-OG1 2.99Å; N153-T155 PolarHBondContact O-N 3.35Å; N153-T155 PolarHBondContact OD1-N 2.89Å; N153-T155 VanDerWaalsContact OD1-N 3.09Å; N153-T155 PolarHBondContact OD1-OG1 3.31Å; T155-S157 PolarHBondContact O-N 2.81Å
156S81.1Confident75.4Confident29 Ų29103 Ų10320%0.20362%0.623CS.*  trans-77.7112.9178.7178.60000109.8N153 M158 D159 F160N153-S156 WeakPolarHBondContact O-CB 3.41Å; N153-S156 PolarHBondContact O-N 3.41Å; S156-M158 PolarHBondContact O-N 3.04Å; S156-D159 VanDerWaalsContact CB-OD2 3.22Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD2 3.01Å; S156-F160 PolarHBondContact O-N 3.13Å
157S82.1Confident75.7Confident97 Ų97106.2 Ų106.268%0.67863%0.633SS**THydrogen-bonded Turntrans-63.4-19.3175.551.60000113.4T155T155-S157 PolarHBondContact O-N 2.81Å
158M82.6Confident76Confident164 Ų164105.7 Ų105.781%0.80862%0.623SS**THydrogen-bonded Turntrans-78-40.2176.1-169.368.2-170.800111.9S156S156-M158 PolarHBondContact O-N 3.04Å
159D84.3Confident75.8Confident103 Ų103107.6 Ų107.655%0.55162%0.624SS**THydrogen-bonded Turntrans-86.8-32.1-177.6-58.4-52000112.2S156S156-D159 VanDerWaalsContact CB-OD2 3.22Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact O-N 3.29Å; S156-D159 PolarHBondContact OG-N 3.13Å; S156-D159 PolarHBondContact OG-OD2 3.01Å
160F86.7Confident75.2Confident92 Ų92109 Ų10940%0.40463%0.626SS.*SBendtrans-132.185177.4-63.5-85.9000109.8P152 N153 V154 S156 T162P152-F160 HydrophobicContact CB-CE2 3.83Å; P152-F160 HydrophobicContact CB-CZ 3.84Å; P152-F160 HydrophobicContact CG-CZ 4.35Å; N153-F160 VanDerWaalsContact O-CD2 3.31Å; N153-F160 WeakPolarHBondContact O-CD2 3.32Å; V154-F160 HydrophobicContact CG1-CE2 4.36Å; S156-F160 PolarHBondContact O-N 3.13Å; F160-T162 PolarHBondContact O-N 3.14Å; F160-T162 VanDerWaalsContact O-N 3.11Å
161P84.9Confident74.1Confident106 Ų106112.2 Ų112.269%0.68863%0.631SS**  trans-60117.8174.624-32.9000110.2
162T82.2Confident72.9Confident83 Ų83113.7 Ų113.751%0.50964%0.637SS.*  trans-68.4134177.2-47.90000110.1F160 D164 A165F160-T162 PolarHBondContact O-N 3.14Å; F160-T162 VanDerWaalsContact O-N 3.11Å; T162-D164 HydrophobicContact CG2-CB 4.23Å; T162-D164 PolarHBondContact O-N 2.97Å; T162-D164 VanDerWaalsContact O-N 3.14Å; T162-A165 WeakPolarHBondContact O-CB 3.38Å; T162-A165 PolarHBondContact O-N 2.75Å
163L76.7Confident71.4Confident147 Ų147119 Ų11977%0.7765%0.651SS**Hα-helixtrans-53.5-35.8178.5-76.9166.3000112.8A165 S166L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 3.08Å; L163-S166 PolarHBondContact O-N 3.27Å; L163-S166 PolarHBondContact O-OG 3.34Å
164D77.9Confident69.8Low109 Ų109123.3 Ų123.358%0.58367%0.668SS**Hα-helixtrans-67.3-24.2-179.7-59.2-29.6000113.9T162 S166 V167 N168T162-D164 HydrophobicContact CG2-CB 4.23Å; T162-D164 PolarHBondContact O-N 2.97Å; T162-D164 VanDerWaalsContact O-N 3.14Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 3.32Å; D164-V167 PolarHBondContact O-N 3.32Å; D164-N168 PolarHBondContact O-N 3.41Å; D164-N168 VanDerWaalsContact O-N 3.12Å; D164-N168 PolarHBondContact O-ND2 3.23Å; D164-N168 VanDerWaalsContact O-ND2 3.17Å
165A65.9Low67.9Low62 Ų62124.3 Ų124.351%0.51268%0.675SS.*Hα-helixtrans-71.2-25.1176.600000111.7T162 L163 V167 E169T162-A165 WeakPolarHBondContact O-CB 3.38Å; T162-A165 PolarHBondContact O-N 2.75Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-A165 PolarHBondContact O-N 3.08Å; A165-V167 VanDerWaalsContact C-N 3.31Å; A165-E169 PolarHBondContact O-N 3.17Å
166S61.4Low65.8Low94 Ų94126 Ų12666%0.65767%0.674SS**Hα-helixtrans-74.9-21.617579.10000113.3L163 D164L163-S166 PolarHBondContact O-N 3.27Å; L163-S166 PolarHBondContact O-OG 3.34Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 3.32Å
167V66.7Low63.9Low115 Ų115130.1 Ų130.170%0.69770%0.7SS**Hα-helixtrans-94.6-28.1-179.8-177.10000111.4D164 A165D164-V167 PolarHBondContact O-N 3.32Å; A165-V167 VanDerWaalsContact C-N 3.31Å
168N62.1Low61.8Low122 Ų122129.1 Ų129.165%0.65269%0.694SS**SBendtrans-104.816.6-176.8-68.7-53.7000114.4D164 P170D164-N168 PolarHBondContact O-N 3.41Å; D164-N168 VanDerWaalsContact O-N 3.12Å; D164-N168 PolarHBondContact O-ND2 3.23Å; D164-N168 VanDerWaalsContact O-ND2 3.17Å; N168-P170 WeakPolarHBondContact O-CD 3.49Å
169E58.3Low60Low161 Ų161129 Ų12975%0.75270%0.696SS**  trans-73.8103.8167-159.5173.1-158.300107.6A165 Q171A165-E169 PolarHBondContact O-N 3.17Å; E169-Q171 PolarHBondContact O-N 3.5Å
170P54.5Low58.2Low110 Ų110131 Ų13171%0.71471%0.707SS**  trans-61.8119.4168.828.7-33.1000105.1N168 K172N168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-K172 PolarHBondContact O-N 3.01Å
171Q50.1Low56.5Low184 Ų184134 Ų13486%0.8673%0.727SS**  trans-44.4112.7165.7-64.5-151-65.700106.9E169 K173E169-Q171 PolarHBondContact O-N 3.5Å; Q171-K173 PolarHBondContact O-N 2.99Å
172K49.7Very low55Low197 Ų197136.2 Ų136.286%0.85773%0.733SS**  trans-52.2101.3169.2-108.3178.8173.7177.60105.2P170 E174P170-K172 PolarHBondContact O-N 3.01Å; K172-E174 PolarHBondContact O-N 2.87Å
173K45.6Very low53.9Low205 Ų205139.7 Ų139.789%0.89175%0.749SS**  trans-62.487.1155.5-96.7-179.4171.4176.80104.7Q171 T175Q171-K173 PolarHBondContact O-N 2.99Å; K173-T175 PolarHBondContact O-N 2.79Å
174E48.1Very low53.1Low175 Ų175141.8 Ų141.882%0.81875%0.752SS**  trans-64.1119156.2-118170.917600106.4K172 E176K172-E174 PolarHBondContact O-N 2.87Å; E174-E176 PolarHBondContact O-N 3.12Å; E174-E176 VanDerWaalsContact O-N 3.17Å
175T42.9Very low52.2Low137 Ų137143.9 Ų143.984%0.8476%0.763SS**  trans-60.4110.5174.9-51.90000108.8K173K173-T175 PolarHBondContact O-N 2.79Å
176E37.7Very low52.1Low153 Ų153146.2 Ų146.272%0.71577%0.771SS**  trans-33142156.3-83.4-92.7156.700112.3E174 S178E174-E176 PolarHBondContact O-N 3.12Å; E174-E176 VanDerWaalsContact O-N 3.17Å; E176-S178 PolarHBondContact OE2-N 3.32Å
177P42.6Very low51.8Low116 Ų116145.6 Ų145.675%0.75376%0.764SS**  -134.8129.187.735.3-22.6000114.5
178S36.6Very low51.8Low76 Ų76151.2 Ų151.253%0.53177%0.773SS.*  trans59.799.113669.60000116.5E176E176-S178 PolarHBondContact OE2-N 3.32Å
179N46.2Very low51.6Low161 Ų161152.9 Ų152.986%0.86178%0.777SS**  trans-145.9104.5132.3-100.1-41.3000108.6N181N179-N181 PolarHBondContact O-N 3.17Å
180D44.8Very low51.5Low145 Ų145151.8 Ų151.878%0.77577%0.772SS**  trans-52.3115.4168.5-61.9-56.5000109.9
181N53Low51.4Low155 Ų155151.9 Ų151.983%0.82978%0.782SS**  trans-151.5102.6147.4-81.5-64.2000107.3N179 D183N179-N181 PolarHBondContact O-N 3.17Å; N181-D183 PolarHBondContact O-N 3.47Å
182D52.6Low51.6Low153 Ų153146.1 Ų146.182%0.81877%0.772SS**  trans-51.5118.4165.2-70.2-64.5000110.6
183D59.7Low51.9Low157 Ų157141.9 Ų141.984%0.8476%0.762SS**  trans-149.885.4154.5-101.9-32000110.4N181 N185N181-D183 PolarHBondContact O-N 3.47Å; D183-N185 PolarHBondContact O-N 2.8Å
184K58.5Low52Low190 Ų190143.4 Ų143.483%0.82676%0.762SS**  trans-72.7100.4162.4-62.6-144.3-177.7-1740108.4
185N59.6Low52.1Low153 Ų153146.6 Ų146.682%0.81877%0.767SS**  trans158.187.3147.1-87.8-47.8000110D183D183-N185 PolarHBondContact O-N 2.8Å
186V63.9Low52.6Low112 Ų112144.7 Ų144.768%0.67977%0.765SS**  trans-128.7100.1161.1-173.60000109.7
187P55.8Low53.2Low80 Ų80144.6 Ų144.652%0.51977%0.769SS.*  trans-82.2115.4177.830.5-28.6000110.2Q189P187-Q189 PolarHBondContact O-N 3.19Å
188W65.5Low53.7Low233 Ų233144.4 Ų144.488%0.88377%0.768SS**SBendtrans34.512.5154.464.7-78.1000122
189Q58.7Low54.4Low157 Ų157146.1 Ų146.173%0.73478%0.775SS**  trans-102.58.5-175.9-67.4-169.79.600114.4P187 A191P187-Q189 PolarHBondContact O-N 3.19Å; Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å
190Q56.3Low54.8Low139 Ų139144.8 Ų144.865%0.6578%0.778SS**  trans-84.612-176.9-162.5154.21.500115.3G192 V193Q190-G192 PolarHBondContact O-N 3.14Å; Q190-V193 HydrophobicContact CG-CG2 3.92Å
191A51.9Low55.4Low112 Ų112142.2 Ų142.293%0.92677%0.772SS**THydrogen-bonded Turntrans-68.810173.500000114.5Q189Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å
192G54.5Low55.8Low62 Ų62139.3 Ų139.364%0.63977%0.77SS**THydrogen-bonded Turntrans-115.1-4.7-177.500000116.3Q190 R194Q190-G192 PolarHBondContact O-N 3.14Å; G192-R194 PolarHBondContact O-N 3.03Å
193V54.7Low56.4Low109 Ų109139.5 Ų139.566%0.66177%0.77SS**  trans-84.6108.4-178.2-172.60000109.7Q190 R195Q190-V193 HydrophobicContact CG-CG2 3.92Å; V193-R195 PolarHBondContact O-N 3.46Å
194R49.4Very low56.7Low237 Ų237137.5 Ų137.589%0.89477%0.765SS**PPolyproline II helixtrans-56.9120.6-178.2-58.7-163.1175.2-125.61.2110.6G192G192-R194 PolarHBondContact O-N 3.03Å
195R49.4Very low56.9Low242 Ų242136 Ų13691%0.91376%0.764SS**PPolyproline II helixtrans-60.9134.7157.6-74.4-173.7178.6-129.11.3107.9V193 N197V193-R195 PolarHBondContact O-N 3.46Å; R195-N197 PolarHBondContact O-N 2.83Å
196A54Low56.8Low97 Ų97132.9 Ų132.980%0.80276%0.76SS**PPolyproline II helixtrans-56.9124.6173.800000109.7P198A196-P198 WeakPolarHBondContact O-CD 2.92Å
197N50.2Low56.6Low150 Ų150134.9 Ų134.980%0.80277%0.765SS**PPolyproline II helixtrans-55.4126.4176.3-73.4-35.7000110.9R195R195-N197 PolarHBondContact O-N 2.83Å
198P53Low56.6Low113 Ų113135 Ų13573%0.73477%0.768SS**SBendtrans-83.5134.8145.832.5-24.7000108.2A196A196-P198 WeakPolarHBondContact O-CD 2.92Å
199V50.2Low56.4Low112 Ų112130.9 Ų130.968%0.67977%0.769SS**  trans84.486.2166.9-147.90000117.2S201V199-S201 WeakPolarHBondContact CG1-OG 3.38Å; V199-S201 PolarHBondContact O-N 3.06Å
200S56.3Low56.4Low132 Ų132126.6 Ų126.692%0.92376%0.76SS**THydrogen-bonded Turntrans-71.636.8172.1-47.40000115.4
201S57.2Low56.6Low91 Ų91127.6 Ų127.664%0.63678%0.776SS**THydrogen-bonded Turntrans-120.42-179.1690000116V199 L203V199-S201 WeakPolarHBondContact CG1-OG 3.38Å; V199-S201 PolarHBondContact O-N 3.06Å; S201-L203 PolarHBondContact O-N 3.24Å
202A60.4Low57.5Low95 Ų95126.6 Ų126.679%0.78576%0.762SS**  trans-84.6102.6174.500000110.5
203L64.7Low58.5Low157 Ų157127.7 Ų127.782%0.82277%0.766SS**  trans-58.8142.8169.3-66.6174.5000109.9S201 I205S201-L203 PolarHBondContact O-N 3.24Å; L203-I205 PolarHBondContact O-N 3Å
204P66.9Low59.8Low114 Ų114131 Ų13174%0.7477%0.767SS**  trans-59.1136.7175.825.8-33.5000109.9A206P204-A206 PolarHBondContact O-N 2.79Å
205I61.9Low61.3Low159 Ų159122.6 Ų122.682%0.81574%0.742SS**  trans-58.9102.9168.6-62.5166.8000106.4L203 I207L203-I205 PolarHBondContact O-N 3Å; I205-I207 PolarHBondContact O-N 3.46Å
206A58.7Low62.9Low88 Ų88113.4 Ų113.473%0.72771%0.714SS**  trans-66.5108172.900000107.7P204 S208P204-A206 PolarHBondContact O-N 2.79Å; A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.79Å
207I58.6Low64Low154 Ų154113.2 Ų113.279%0.7971%0.705SS**  trans-7488.2167.5-55.7169.9000105.5I205 T209I205-I207 PolarHBondContact O-N 3.46Å; I207-T209 PolarHBondContact O-N 2.84Å
208S55.2Low65.3Low82 Ų82111.3 Ų111.357%0.57370%0.703SS**  trans-75.4121.2168.953.20000108.4A206 A210A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.79Å; S208-A210 PolarHBondContact O-N 2.74Å
209T61.4Low66.2Low146 Ų146111.9 Ų111.990%0.89670%0.699SS**  trans-77.914.8173.554.50000112.7I207I207-T209 PolarHBondContact O-N 2.84Å
210A59Low67.4Low68 Ų68113.2 Ų113.256%0.56269%0.692SS**SBendtrans-88.6142.3173.500000108.9S208 S212S208-A210 PolarHBondContact O-N 2.74Å; A210-S212 PolarHBondContact O-N 2.86Å
211T61.2Low67.9Low159 Ų159116.3 Ų116.398%0.97569%0.692SS**  trans-64.669.917353.10000110.4
212S71.3Confident68Low91 Ų91117.3 Ų117.364%0.63669%0.694SS**  trans-106.1127.7174.4-174.90000107.6A210 Y214A210-S212 PolarHBondContact O-N 2.86Å; S212-Y214 PolarHBondContact O-N 3.04Å
213A75.2Confident67.5Low86 Ų86116.5 Ų116.571%0.71170%0.695SS**PPolyproline II helixtrans-57.5121.9179.300000109.5V215A213-V215 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact O-N 3.09Å
214Y82Confident66.6Low178 Ų178112.9 Ų112.970%0.69869%0.688SS**PPolyproline II helixtrans-56.7116.4175.9171.9-98.4000109.9S212 P216S212-Y214 PolarHBondContact O-N 3.04Å; Y214-P216 HydrophobicContact CE1-CB 4.01Å
215V81.3Confident65.9Low61 Ų61114 Ų11437%0.3770%0.695SS.*PPolyproline II helixtrans-95.5116170.6-1760000108.1A213 L219 R220A213-V215 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact O-N 3.09Å; V215-L219 HydrophobicContact CG1-CB 3.75Å; V215-R220 HydrophobicContact CG1-CG 4.12Å; V215-R220 PolarHBondContact O-NE 3.4Å; V215-R220 VanDerWaalsContact O-NE 3.13Å; V215-R220 PolarHBondContact O-NH2 3.39Å
216P81.3Confident65.4Low48 Ų48109.9 Ų109.931%0.31269%0.692SS.*PPolyproline II helixtrans-60.5147.8179.324.3-31.4000109.9Y214 S218 L219 R220Y214-P216 HydrophobicContact CE1-CB 4.01Å; P216-S218 PolarHBondContact O-N 3.23Å; P216-L219 HydrophobicContact CG-CB 4.12Å; P216-L219 PolarHBondContact O-N 2.64Å; P216-R220 PolarHBondContact O-N 2.97Å
217P77.1Confident64.7Low94 Ų94114.4 Ų114.461%0.6170%0.695SS**G310 helixtrans-51.2-32.2-176.4-29.234.9000114.6L219 R220P217-L219 PolarHBondContact O-N 2.92Å; P217-R220 PolarHBondContact O-N 3.48Å
218S78.1Confident64.2Low110 Ų110116 Ų11677%0.76970%0.697SS**G310 helixtrans-65.1-22.4176.951.80000114.6P216P216-S218 PolarHBondContact O-N 3.23Å
219L72Confident63.6Low124 Ų124117.3 Ų117.365%0.64971%0.706SS**G310 helixtrans-107.31.7-176.4-136.479.7000112.6V215 P216 P217 Q221V215-L219 HydrophobicContact CG1-CB 3.75Å; P216-L219 HydrophobicContact CG-CB 4.12Å; P216-L219 PolarHBondContact O-N 2.64Å; P217-L219 PolarHBondContact O-N 2.92Å; L219-Q221 PolarHBondContact O-N 3.11Å
220R75.6Confident63.1Low140 Ų140118.7 Ų118.753%0.52870%0.704SS.*  trans-73.7108177.2-67.3-177.7-178.9-127.7-3109.1V215 P216 P217 T222V215-R220 HydrophobicContact CG1-CG 4.12Å; V215-R220 PolarHBondContact O-NE 3.4Å; V215-R220 VanDerWaalsContact O-NE 3.13Å; V215-R220 PolarHBondContact O-NH2 3.39Å; P216-R220 PolarHBondContact O-N 2.97Å; P217-R220 PolarHBondContact O-N 3.48Å; R220-T222 PolarHBondContact O-N 3.22Å
221Q66.7Low62.4Low198 Ų198118 Ų11893%0.92570%0.703SS**  trans-70.766.4167.7-64.7-1752.200109.8L219L219-Q221 PolarHBondContact O-N 3.11Å
222T59.9Low61.7Low112 Ų112116.2 Ų116.269%0.68770%0.695SS**  trans-134117.5172.954.50000108.3R220 A224R220-T222 PolarHBondContact O-N 3.22Å; T222-A224 PolarHBondContact O-N 2.92Å
223G49.1Very low60.4Low77 Ų77114.1 Ų114.179%0.79469%0.687SS**  trans-44.8130.2-170.200000113.7
224A45.6Very low59Low82 Ų82120.1 Ų120.168%0.67869%0.693SS**  trans-52.4127.6170.100000109.9T222 G226T222-A224 PolarHBondContact O-N 2.92Å; A224-G226 VanDerWaalsContact C-N 3.26Å; A224-G226 PolarHBondContact O-N 2.9Å
225P52.5Low57.4Low137 Ų137118.6 Ų118.689%0.8970%0.702SS**THydrogen-bonded Turntrans-73.586.817031.3-31000107.1
226G51.4Low55.6Low73 Ų73119.2 Ų119.275%0.75372%0.721SS**THydrogen-bonded Turntrans174-15.3-179.300000117.6A224A224-G226 VanDerWaalsContact C-N 3.26Å; A224-G226 PolarHBondContact O-N 2.9Å
227F44.7Very low53.9Low182 Ų182124.7 Ų124.780%0.79875%0.748SS**  trans-105.7108.1176.5-150.3-99.1000110.2S229F227-S229 PolarHBondContact O-N 3.36Å
228K47.5Very low52.3Low189 Ų189123.3 Ų123.382%0.82275%0.751SS**  trans-63.491.3165.8-61-179.8-176.5-177.80107.1M230K228-M230 PolarHBondContact O-N 3.44Å
229S43.8Very low50.7Low108 Ų108126.7 Ų126.776%0.75575%0.752SS**  trans-70.791.1164.6-1690000106.7F227 G231F227-S229 PolarHBondContact O-N 3.36Å; S229-G231 VanDerWaalsContact C-N 3.27Å; S229-G231 PolarHBondContact O-N 2.98Å
230M50.8Low49.7Very low175 Ų175132.6 Ų132.686%0.86277%0.766SS**  trans-67.895.7162.2-67.3-74.1-92.700105.7K228K228-M230 PolarHBondContact O-N 3.44Å
231G42.9Very low48.4Very low53 Ų53131.1 Ų131.155%0.54678%0.775SS.*  trans-60.8149.317000000110.5S229 G233S229-G231 VanDerWaalsContact C-N 3.27Å; S229-G231 PolarHBondContact O-N 2.98Å; G231-G233 PolarHBondContact O-N 3.49Å; G231-G233 VanDerWaalsContact O-N 3.14Å
232P46.9Very low47.7Very low123 Ų123129.8 Ų129.880%0.79977%0.768SS**  trans-76.7108.3-173.631.2-30.4000109Y234P232-Y234 WeakPolarHBondContact O-CE1 3.31Å
233G44Very low47.1Very low46 Ų46129.7 Ų129.747%0.47476%0.763SS.*  trans-139.680.2-17600000113G231G231-G233 PolarHBondContact O-N 3.49Å; G231-G233 VanDerWaalsContact O-N 3.14Å
234Y45.8Very low47Very low213 Ų213132.8 Ų132.884%0.83576%0.762SS**  trans2498.3141.514.3-92.6000117.4P232P232-Y234 WeakPolarHBondContact O-CE1 3.31Å
235T49.4Very low47.3Very low145 Ų145134.3 Ų134.389%0.8977%0.765SS**  trans179.2111.5141.138.50000103.4
236G43.1Very low47.1Very low75 Ų75133.5 Ų133.577%0.77376%0.759SS**  116.9112.357.800000106.1
237D45Very low46.8Very low162 Ų162140.3 Ų140.387%0.86677%0.769SS**  trans90.3132.8158.4-124.7-16.5000120.3
238G43.9Very low46.5Very low66 Ų66136.7 Ų136.768%0.6876%0.764SS**  trans126.647.3161.500000120.1
239F43.6Very low46.3Very low181 Ų181132.5 Ų132.579%0.79476%0.759SS**  trans15.8117.6146.1-63.5-91.4000120.8
240R51.9Low46.2Very low247 Ų247133.9 Ų133.993%0.93276%0.758SS**  177.9122.6117.8-101.5176.1-175.6-98.40.7112.3
241P48.3Very low45.9Very low110 Ų110133.6 Ų133.671%0.71476%0.758SS**  trans-105.4140.2165.735.7-24.9000111.4
242H50.8Low45.8Very low169 Ų169137.8 Ų137.878%0.78277%0.768SS**  trans-160.4102.2155.8-131-89.3000106.5
243N48.1Very low45.9Very low110 Ų110137 Ų13759%0.58876%0.763SS**  60.7117.190.4-58.2-23.6000110
244D48.1Very low45.6Very low143 Ų143138.4 Ų138.477%0.76578%0.777SS**  cis-165162.627.2-70-53.9000111
245P50.6Low45.4Very low114 Ų114138.4 Ų138.474%0.7478%0.782SS**  trans-107.5-163.3172.443.1-32.3000113
246P48.6Very low45.4Very low119 Ų119138.7 Ų138.777%0.77377%0.771SS**  -95.8158.9-108.536.7-19.4000115.5
247F45.4Very low45.4Very low217 Ų217144.2 Ų144.295%0.95277%0.768SS**  trans-114.1122.5170-87.9-79.2000113.6
248C38.3Very low45.3Very low105 Ų105144.7 Ų144.771%0.70976%0.763SS**  trans-83.7150.6169.8-170.90000110.5
249S43.7Very low45.3Very low102 Ų102146.9 Ų146.971%0.71376%0.763SS**  trans154.5108.3146.245.50000108.6
250D40Very low45.1Very low137 Ų137146.9 Ų146.973%0.73377%0.766SS**  79.213481.6-69.2-45000113.1
251I45.9Very low44.9Very low169 Ų169142.4 Ų142.487%0.86776%0.761SS**  trans11695158.1-54.1153.3000116
252D40.2Very low44.6Very low141 Ų141143.4 Ų143.475%0.75477%0.767SS**  trans-71.5-173.1155.7-158.324.2000110.5
253P49.9Very low43.9Very low107 Ų107138.3 Ų138.370%0.69576%0.76SS**  cis-125.5165.9-30.713.211.2000113.2
254G36.7Very low43.8Very low74 Ų74140.4 Ų140.476%0.76377%0.77SS**  trans102.2104.2144.200000117.6
255F41.3Very low43.5Very low214 Ų214144.4 Ų144.494%0.93978%0.775SS**  trans-146139.7140.2-144.8-97.3000111.7
256K50.2Low43Very low151 Ų151147.9 Ų147.966%0.65778%0.781SS**  trans-88.5151.4-167.3-71.1-163.4176.1-162.20112.4
257R42.2Very low42.9Very low190 Ų190148.6 Ų148.672%0.71778%0.783SS**  trans86.9148136.3-81.7175.5-73.8-152.84.6120.3
258F44.2Very low42.8Very low173 Ų173142.6 Ų142.676%0.75977%0.774SS**  trans9390.5167.3-58.2-74000114.9
259T43.9Very low43Very low112 Ų112143.3 Ų143.369%0.68778%0.78SS**  68.7127.784.2590000113.6
260E38.8Very low43.2Very low180 Ų180143.8 Ų143.884%0.84178%0.783SS**  trans84.990.5162.8-58.7166.9-146.600117.4
261N47.6Very low43.8Very low154 Ų154142.2 Ų142.282%0.82479%0.789SS**  trans-159116.2138.5-138.9-26.4000111.3G263N261-G263 PolarHBondContact O-N 2.83Å
262P42.3Very low44Very low131 Ų131136.7 Ų136.785%0.85177%0.774SS**  trans-91.3101.2173.933.5-24.5000108.4
263G36.5Very low44.7Very low61 Ų61133.3 Ų133.363%0.62977%0.772SS**  trans165.373.6175.300000114.8N261N261-G263 PolarHBondContact O-N 2.83Å
264L45.6Very low44.4Very low154 Ų154139.5 Ų139.581%0.80678%0.782SS**  trans-166.2100148-104.4139.8000108.9E266L264-E266 PolarHBondContact O-N 3.16Å; L264-E266 VanDerWaalsContact O-N 3.09Å
265R41.9Very low45.7Very low228 Ų228140.2 Ų140.286%0.8678%0.781SS**  trans-31.7107.8159.949.4-174.5174.6-92.1-5111.5T267R265-T267 PolarHBondContact O-N 3.11Å
266E40.7Very low46.2Very low186 Ų186142.1 Ų142.187%0.86978%0.782SS**  trans-67.7116.9168.7-71.2-174.816100109L264 A268L264-E266 PolarHBondContact O-N 3.16Å; L264-E266 VanDerWaalsContact O-N 3.09Å; E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 3.47Å
267T45.3Very low46.3Very low135 Ų135138.2 Ų138.283%0.82878%0.784SS**  trans-7093.8158.749.30000107R265 S269R265-T267 PolarHBondContact O-N 3.11Å; T267-S269 PolarHBondContact O-N 3.18Å
268A44.1Very low47Very low91 Ų91136.9 Ų136.975%0.75279%0.791SS**  trans-57.7105.6171.300000108.8E266 S270E266-A268 VanDerWaalsContact C-N 3.29Å; E266-A268 PolarHBondContact O-N 3.47Å; A268-S270 VanDerWaalsContact C-N 3.29Å; A268-S270 PolarHBondContact O-N 2.89Å
269S43Very low47.8Very low120 Ų120136.4 Ų136.484%0.83980%0.795SS**  trans-64.592.5169.4-159.40000107.4T267 A271T267-S269 PolarHBondContact O-N 3.18Å; S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.17Å
270S47.8Very low48.5Very low112 Ų112138.1 Ų138.178%0.78380%0.798SS**  trans-7782.5-179.9-168.90000109.3A268 G272A268-S270 VanDerWaalsContact C-N 3.29Å; A268-S270 PolarHBondContact O-N 2.89Å; S270-G272 PolarHBondContact O-N 3.38Å
271A51.9Low49.3Very low104 Ų104134.5 Ų134.586%0.8679%0.793SS**  trans-74.258.5158.300000109.2S269S269-A271 VanDerWaalsContact C-N 3.28Å; S269-A271 PolarHBondContact O-N 3.17Å
272G49.5Very low49.9Very low53 Ų53133 Ų13355%0.54679%0.789SS.*  trans-94.9104.4178.100000110.4S270S270-G272 PolarHBondContact O-N 3.38Å
273G55Low50.3Low69 Ų69133.5 Ų133.571%0.71178%0.784SS**  trans-55.5147.8166.700000110.8A275G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.2Å
274W43.5Very low50.8Low237 Ų237136 Ų13690%0.89879%0.79SS**  trans-65.491.4-179.4-6672.1000110.1
275A64.3Low51.2Low89 Ų89135.1 Ų135.174%0.73679%0.791SS**  trans-85.4121.2167.600000108.7G273 G277G273-A275 VanDerWaalsContact C-N 3.35Å; G273-A275 PolarHBondContact O-N 3.2Å; A275-G277 PolarHBondContact O-N 2.85Å
276R52.7Low51.4Low255 Ų255131.3 Ų131.396%0.96279%0.788SS**SBendtrans-69.3126.1168.8-85.9176.8144-168.5-6109
277G51.6Low51.7Low69 Ų69129.5 Ų129.571%0.71178%0.784SS**  trans89.373.5160.400000116.1A275A275-G277 PolarHBondContact O-N 2.85Å
278N57.2Low51.5Low161 Ų161129.3 Ų129.386%0.86179%0.785SS**  trans-103.8113.3154.8-94.416.8000108.7
279I60.1Low51.6Low163 Ų163129.7 Ų129.784%0.83679%0.788SS**  trans-78.9124.6171-58169.5000106.9S281I279-S281 PolarHBondContact O-N 2.9Å; I279-S281 VanDerWaalsContact O-N 3.11Å
280I59.6Low51.5Low149 Ų149127.6 Ų127.676%0.76479%0.785SS**  trans-72.1103.1171.8-59.5170.3000107V282I280-V282 HydrophobicContact CG2-CG1 4.45Å; I280-V282 PolarHBondContact O-N 2.96Å; I280-V282 VanDerWaalsContact O-N 3.16Å
281S55.9Low51.4Low104 Ų104131.1 Ų131.173%0.72779%0.789SS**  trans-73.998.5171.2-178.90000109.2I279I279-S281 PolarHBondContact O-N 2.9Å; I279-S281 VanDerWaalsContact O-N 3.11Å
282V59.3Low50.9Low123 Ų123133.7 Ų133.775%0.74579%0.787SS**  trans-81.8110.6164.8-86.10000108.8I280I280-V282 HydrophobicContact CG2-CG1 4.45Å; I280-V282 PolarHBondContact O-N 2.96Å; I280-V282 VanDerWaalsContact O-N 3.16Å
283N50Low50.7Low140 Ų140136.8 Ų136.875%0.74980%0.798SS**  trans-53.1128.7170.9-86.5-28.2000111T285N283-T285 PolarHBondContact O-N 3.37Å
284P48.9Very low50.4Low114 Ų114139.1 Ų139.174%0.7480%0.801SS**  trans-88.3101.8161.632.5-23.7000107.7N286P284-N286 PolarHBondContact O-N 3Å
285T53.4Low50.1Low135 Ų135135.8 Ų135.883%0.82880%0.8SS**  trans-70112.1168.446.70000109.4N283N283-T285 PolarHBondContact O-N 3.37Å
286N45.5Very low49.1Very low148 Ų148137.2 Ų137.279%0.79181%0.805SS**  trans-49.3128.4168.3-73.1-44.6000113.3P284P284-N286 PolarHBondContact O-N 3Å
287N46.8Very low48.6Very low148 Ų148130.2 Ų130.279%0.79180%0.795SS**  152.8128.6117.4-98.8-15.6000112.7
288P42.3Very low48.2Very low131 Ų131134.8 Ų134.885%0.85180%0.803SS**  trans-105.4107.915934.2-20.7000109.8
289A45.9Very low47.5Very low100 Ų100131.5 Ų131.583%0.82680%0.799SS**  trans-148.7132.1164.600000109.2
290G40.7Very low46.7Very low75 Ų75128.3 Ų128.377%0.77379%0.791SS**  trans-67.3151.9-15500000117.4
291H44.7Very low45.7Very low186 Ų186130.7 Ų130.786%0.86180%0.796SS**  -167.7118.7129.5-130.7-72.3000109.9
292L41.6Very low45.3Very low158 Ų158133.6 Ų133.683%0.82780%0.798SS**  trans-79.5153.7155.7-69.7173.1000107.6
293P46.8Very low44.3Very low118 Ų118134.1 Ų134.177%0.76680%0.801SS**  -157-157.369.738.3-13.4000114
294P47.1Very low44.3Very low118 Ų118133.5 Ų133.577%0.76680%0.803SS**  -114.4168.2-71.335.2-19.9000113.2S296P294-S296 PolarHBondContact O-N 3.04Å
295N37.3Very low44Very low167 Ų167132.6 Ų132.689%0.89380%0.799SS**  trans-46128.9170.4-91.5-20.7000113.8
296S43.8Very low43.5Very low120 Ų120135.3 Ų135.384%0.83980%0.802SS**  trans-135.8121.9148.1-840000109P294P294-S296 PolarHBondContact O-N 3.04Å
297S42.3Very low43.5Very low108 Ų108135 Ų13576%0.75580%0.801SS**  trans-56.2127.117045.80000111.7
298D43.6Very low43.9Very low164 Ų164133.6 Ų133.688%0.87780%0.797SS**  trans-153.3117.9140.1-108.1-25.9000110.3S300D298-S300 PolarHBondContact O-N 3.01Å
299A42.2Very low44Very low93 Ų93136 Ų13677%0.76980%0.803SS**  trans-75.1116.5172.400000108.2
300S43.7Very low44.2Very low96 Ų96133.8 Ų133.867%0.67179%0.79SS**  trans-140.4111.7161.5-171.10000109.5D298 H302D298-S300 PolarHBondContact O-N 3.01Å; S300-H302 PolarHBondContact O-N 2.82Å
301F38.9Very low44.6Very low198 Ų198141.6 Ų141.687%0.86880%0.796SS**  trans-66.8112.8171.5-68.1-92.7000108.6
302H46.5Very low45.2Very low166 Ų166138 Ų13877%0.76979%0.792SS**  trans-130.9111.8162.4-95.7-62.8000110.8S300S300-H302 PolarHBondContact O-N 2.82Å
303T37.9Very low46Very low133 Ų133141 Ų14182%0.81679%0.793SS**  trans-64.8120.3166.649.40000110.5
304V51.2Low46.3Very low128 Ų128142.8 Ų142.878%0.77680%0.796SS**  trans-148.2109.8157.8-172.80000110.3
305S42.8Very low46.8Very low95 Ų95143 Ų14366%0.66480%0.795SS**  trans54.395.8152.670.80000119.6
306E41.5Very low47.9Very low191 Ų191142.9 Ų142.989%0.89379%0.794SS**  trans-84.6111.2158-70.3173.9151.600109.6
307N46.4Very low48.7Very low142 Ų142142.6 Ų142.676%0.75979%0.787SS**  trans-127.264.8164.656.5-2.1000109
308T53.6Low49.8Very low118 Ų118146.2 Ų146.272%0.72479%0.789SS**  trans-109.169.517850.10000110.9G310T308-G310 PolarHBondContact O-N 3.09Å
309N45.7Very low50.9Low182 Ų182144.4 Ų144.497%0.97378%0.784SS**  trans-7479.2156.1-78.6-6.8000108.3
310G50.5Low51.6Low54 Ų54150.3 Ų150.356%0.55779%0.788SS**SBendtrans-162.5108.5176.800000108.6T308 S312T308-G310 PolarHBondContact O-N 3.09Å; G310-S312 PolarHBondContact O-N 3.13Å
311W49.4Very low52.6Low238 Ų238155 Ų15590%0.90280%0.796SS**  trans-31.7123.1179.3-74.9-38.6000112.6R313W311-R313 VanDerWaalsContact C-N 3.32Å; W311-R313 PolarHBondContact O-N 3.21Å
312S57.3Low53.5Low111 Ų111152.6 Ų152.678%0.77679%0.793SS**  trans-57.994.3172.8-480000109.4G310 N314G310-S312 PolarHBondContact O-N 3.13Å; S312-N314 PolarHBondContact O-N 2.85Å
313R56.6Low53.7Low220 Ų220151.2 Ų151.283%0.8380%0.796SS**  trans-79.463.5172.2-70.4178.3175.9153.9-1.2109.2W311W311-R313 VanDerWaalsContact C-N 3.32Å; W311-R313 PolarHBondContact O-N 3.21Å
314N55Low54.3Low156 Ų156155.3 Ų155.383%0.83480%0.796SS**  trans-111.423.4173.1-72.634.9000111.7S312S312-N314 PolarHBondContact O-N 2.85Å
315V57Low54.3Low123 Ų123158 Ų15875%0.74580%0.801SS**SBendtrans-82.3124.2166.9-118.30000108.7V317V315-V317 VanDerWaalsContact C-N 3.3Å; V315-V317 WeakPolarHBondContact O-CG2 3.39Å; V315-V317 PolarHBondContact O-N 2.99Å
316N59.7Low55Low165 Ų165159.5 Ų159.588%0.88281%0.805SS**  trans-66.981.3-177-150.4-6.7000110.1K318N316-K318 PolarHBondContact O-N 3.37Å
317V60Low55.5Low114 Ų114156.8 Ų156.869%0.69181%0.805SS**  trans-78.3111.9176.3-171.60000108V315 T319V315-V317 VanDerWaalsContact C-N 3.3Å; V315-V317 WeakPolarHBondContact O-CG2 3.39Å; V315-V317 PolarHBondContact O-N 2.99Å; V317-T319 PolarHBondContact O-N 3.33Å
318K65.4Low55.8Low183 Ų183153.2 Ų153.280%0.79680%0.801SS**  trans-57.1107.9163.3-103.7107.7159.2-171.30107.6N316 Y320N316-K318 PolarHBondContact O-N 3.37Å; K318-Y320 PolarHBondContact O-N 2.94Å; K318-Y320 VanDerWaalsContact O-N 3.14Å
319T66.7Low55.9Low127 Ų127155.1 Ų155.178%0.77981%0.806SS**  trans-70.9103.4166.645.60000107.5V317 K321V317-T319 PolarHBondContact O-N 3.33Å; T319-K321 PolarHBondContact O-N 3.49Å
320Y57.9Low56.6Low217 Ų217155.4 Ų155.485%0.85180%0.802SS**  trans-64.8117.9161.8-90.7-94000106.9K318 D322K318-Y320 PolarHBondContact O-N 2.94Å; K318-Y320 VanDerWaalsContact O-N 3.14Å; Y320-D322 PolarHBondContact O-N 3.46Å
321K64.3Low57.2Low193 Ų193159 Ų15984%0.83981%0.807SS**  trans-63.9118.6167.3-75-170.4173-1730107.3T319 V323T319-K321 PolarHBondContact O-N 3.49Å; K321-V323 PolarHBondContact O-N 2.97Å
322D57.2Low58Low148 Ų148152.7 Ų152.779%0.79179%0.791SS**  trans-59.1104166.9-83.9-41000108.8Y320 R324Y320-D322 PolarHBondContact O-N 3.46Å; D322-R324 VanDerWaalsContact C-N 3.27Å; D322-R324 PolarHBondContact O-N 3.02Å
323V51.6Low58.5Low137 Ų137153 Ų15383%0.8378%0.783SS**  trans-84.979.7162.7-177.30000106.1K321K321-V323 PolarHBondContact O-N 2.97Å
324R51Low59Low220 Ų220150.7 Ų150.783%0.8378%0.779SS**  trans-124.966.7165.3-74.8-168.2-168.8-161.62.8109.5D322D322-R324 VanDerWaalsContact C-N 3.27Å; D322-R324 PolarHBondContact O-N 3.02Å
325E51.4Low59.3Low185 Ų185149 Ų14986%0.86477%0.77SS**  trans-11978156.4-67.7-161.6-173.900107.9P327E325-P327 WeakPolarHBondContact O-CD 3.22Å
326T56.8Low59.6Low125 Ų125152.3 Ų152.377%0.76777%0.769SS**  trans-94.7104.6155.641.60000107G328T326-G328 PolarHBondContact O-N 2.9Å
327P51.4Low59.7Low135 Ų135153.3 Ų153.388%0.87777%0.766SS**  trans-75.6107.1172.131.3-28000106.6E325E325-P327 WeakPolarHBondContact O-CD 3.22Å
328G53.4Low59.8Low67 Ų67152.8 Ų152.869%0.69176%0.763SS**  trans173.8-0.6178.800000119.7T326T326-G328 PolarHBondContact O-N 2.9Å
329L56.4Low59.5Low157 Ų157148.6 Ų148.682%0.82276%0.762SS**  trans-125.575.3177.8-67.7169.1000110.2I331L329-I331 PolarHBondContact O-N 3.04Å
330E60.4Low59Low188 Ų188152.1 Ų152.188%0.87977%0.768SS**  trans-69.7102.9165.4-173.7172.6-17300108.1D332E330-D332 PolarHBondContact O-N 2.92Å; E330-D332 VanDerWaalsContact O-N 3.15Å
331I62.5Low58.9Low131 Ų131146.8 Ų146.867%0.67276%0.762SS**  trans-77.897.3173.8-59.2170.9000106.9L329 L333L329-I331 PolarHBondContact O-N 3.04Å; I331-L333 HydrophobicContact CG2-CD2 4.28Å; I331-L333 PolarHBondContact O-N 3.14Å; I331-L333 VanDerWaalsContact O-N 3.14Å
332D65.6Low58.4Low105 Ų105146.7 Ų146.756%0.56177%0.765SS**  trans-68.9108.2173.9-163.14.9000109.6E330 K334E330-D332 PolarHBondContact O-N 2.92Å; E330-D332 VanDerWaalsContact O-N 3.15Å; D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CD 3.34Å; D332-K334 WeakPolarHBondContact OD1-CG 3.33Å; D332-K334 IonicContact OD1-NZ 3.99Å
333L67.7Low58.2Low118 Ų118150.2 Ų150.262%0.61879%0.792SS**G310 helixtrans-78.53.3-173.3-72.6165.9000113.6I331 N335I331-L333 HydrophobicContact CG2-CD2 4.28Å; I331-L333 PolarHBondContact O-N 3.14Å; I331-L333 VanDerWaalsContact O-N 3.14Å; L333-N335 PolarHBondContact O-N 3.09Å
334K67.5Low58.5Low170 Ų170150.9 Ų150.974%0.73979%0.79SS**G310 helixtrans-78.6-16.2-166.1-70172.5-171.5157.60115.4D332D332-K334 PolarHBondContact O-N 3.3Å; D332-K334 WeakPolarHBondContact OD1-CD 3.34Å; D332-K334 WeakPolarHBondContact OD1-CG 3.33Å; D332-K334 IonicContact OD1-NZ 3.99Å
335N61.5Low58.9Low120 Ų120147.3 Ų147.364%0.64279%0.788SS**G310 helixtrans-12743.1-171.4-70.5-16.7000114.4L333 F337L333-N335 PolarHBondContact O-N 3.09Å; N335-F337 PolarHBondContact O-N 3.5Å
336R63Low59.3Low193 Ų193145.2 Ų145.273%0.72878%0.783SS**SBendtrans-73.9-6.8175.2-82.1-169.2176.7-169.9-0.2115.2
337F62.7Low59.5Low186 Ų186146.4 Ų146.482%0.81678%0.784SS**SBendtrans-119.80.6-170.7-71.2-77000115.9N335N335-F337 PolarHBondContact O-N 3.5Å
338T60.6Low60Low104 Ų104147.1 Ų147.164%0.63878%0.779SS**SBendtrans-958.3-172.952.30000115.2
339A59Low60.4Low94 Ų94152.4 Ų152.478%0.77778%0.784SS**  trans-100.923.2-174.200000115.1
340F57.4Low60.7Low202 Ų202152.1 Ų152.189%0.88678%0.782SS**SBendtrans-115.424.1-173.4-86.4-73.4000115.5
341S55.2Low60.7Low105 Ų105149.3 Ų149.373%0.73477%0.774SS**SBendtrans-145.265.2177.265.10000112.8
342E54.4Low60.6Low191 Ų191150.8 Ų150.889%0.89378%0.783SS**  trans-169.885.1160.4-117.5170.9-175.100109.3
343T52.2Low60.1Low222 Ų222155 Ų155100%1.36280%0.803SS**  trans-165.50150.550.30000108.9

Retrieved 343 of 343 residues in 407.5 ms (Link to these results)