A0A077Z1V8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1V8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 575 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
1M49.5Very low65.4Low243 Ų243142.6 Ų142.6100%1.19781%0.812SS**  0118.50-70.7-177.7175.400106.6
2A54.6Low66.3Low103 Ų103140.7 Ų140.785%0.85180%0.797SS**PPolyproline II helixtrans-75.3132.9177.100000108.8
3Q59.4Low67.1Low179 Ų179139.4 Ų139.484%0.83679%0.786SS**PPolyproline II helixtrans-68.7145.3173.3-71.4-165.3-21.600110.1T5Q3-T5 PolarHBondContact O-N 3.22Å
4P61.2Low68Low121 Ų121132.9 Ų132.979%0.78675%0.752SS**PPolyproline II helixtrans-69.4121173.728.3-31.5000109.8
5T59.1Low68.9Low138 Ų138129.6 Ų129.685%0.84774%0.738SS**PPolyproline II helixtrans-77.6118.2164.535.60000109.1Q3Q3-T5 PolarHBondContact O-N 3.22Å
6V71.5Confident69.2Low117 Ų117128.3 Ų128.371%0.70974%0.736SS**PPolyproline II helixtrans-84.1120.7167.4-178.90000107.6F8V6-F8 HydrophobicContact CG1-CE2 4.37Å; V6-F8 HydrophobicContact CG1-CZ 4.47Å
7S74Confident69.7Low111 Ų111124.7 Ų124.778%0.77672%0.721SS**  trans-107.4126.4171.852.60000109
8F70.9Confident69.9Low167 Ų167126.6 Ų126.673%0.73272%0.715SS**  trans-81140.5172.5-68.5-86.5000110.4V6 D12V6-F8 HydrophobicContact CG1-CE2 4.37Å; V6-F8 HydrophobicContact CG1-CZ 4.47Å; F8-D12 HydrophobicContact CD1-CB 4.46Å
9D73.1Confident70.1Confident126 Ų126127.2 Ų127.267%0.67471%0.706SS**  trans-76.1151.8177.1-136.6-22.2000109.9E11 D12D9-E11 PolarHBondContact O-N 2.98Å; D9-D12 PolarHBondContact O-N 2.86Å
10A68.8Low69.6Low80 Ų80128 Ų12866%0.66170%0.704SS**G310 helixtrans-62.8-13.5-175.400000113.8
11E77.1Confident69Low184 Ų184131.6 Ų131.686%0.8671%0.707SS**G310 helixtrans-83.5-12.8175.9-59.1-164.6165.200113.6D9 L13D9-E11 PolarHBondContact O-N 2.98Å; E11-L13 VanDerWaalsContact C-N 3.33Å
12D76.5Confident69.2Low119 Ų119126 Ų12664%0.63669%0.686SS**G310 helixtrans-88.53.9176.3-87.5-19.1000113.2F8 D9F8-D12 HydrophobicContact CD1-CB 4.46Å; D9-D12 PolarHBondContact O-N 2.86Å
13L76.7Confident69.3Low124 Ų124130.1 Ų130.165%0.64969%0.685SS**SBendtrans-79.6131.8173.6-69.6171.4000110.3E11E11-L13 VanDerWaalsContact C-N 3.33Å
14P79.6Confident69.1Low49 Ų49129.9 Ų129.932%0.31868%0.684SS.*PPolyproline II helixtrans-60.9148.1175.426-33.4000110.2Y18 Y19P14-Y18 HydrophobicContact CB-CD1 4.48Å; P14-Y18 HydrophobicContact CB-CG 4.15Å; P14-Y18 HydrophobicContact CG-CD1 4.35Å; P14-Y18 HydrophobicContact CG-CG 4.49Å; P14-Y19 HydrophobicContact CG-CE2 4.19Å; P14-Y19 WeakPolarHBondContact CG-OH 3.25Å
15P80.8Confident68.4Low83 Ų83131 Ų13154%0.53968%0.684SS.*PPolyproline II helixtrans-58.2148.8-178.222.8-32.7000111.1S17 Y18P15-S17 PolarHBondContact O-N 3.18Å; P15-Y18 VanDerWaalsContact O-CB 3.31Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3.09Å
16P73.9Confident67.6Low109 Ų109127.1 Ų127.171%0.70867%0.671SS**G310 helixtrans-53.2-23.3-176.4-28.634.7000115.4Y18 Y19P16-Y18 PolarHBondContact O-N 2.99Å; P16-Y19 PolarHBondContact O-N 3.42Å
17S77.6Confident66Low67 Ų67127.2 Ų127.247%0.46967%0.674SS.*G310 helixtrans-62.7-22174.754.70000113.9P15 Y19 Q20P15-S17 PolarHBondContact O-N 3.18Å; S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 2.96Å; S17-Q20 PolarHBondContact O-N 3.16Å
18Y73.4Confident64.6Low158 Ų158130 Ų13062%0.6268%0.679SS**G310 helixtrans-63.4-34.9176.5-169.7-96.2000111.6P14 P15 P16P14-Y18 HydrophobicContact CB-CD1 4.48Å; P14-Y18 HydrophobicContact CB-CG 4.15Å; P14-Y18 HydrophobicContact CG-CD1 4.35Å; P14-Y18 HydrophobicContact CG-CG 4.49Å; P15-Y18 VanDerWaalsContact O-CB 3.31Å; P15-Y18 WeakPolarHBondContact O-CB 3.41Å; P15-Y18 PolarHBondContact O-N 3.09Å; P16-Y18 PolarHBondContact O-N 2.99Å
19Y74Confident62.8Low139 Ų139130 Ų13055%0.54569%0.685SS.*THydrogen-bonded Turntrans-87.9-11-178.1-55.9-75.9000114.1P14 P16 S17P14-Y19 HydrophobicContact CG-CE2 4.19Å; P14-Y19 WeakPolarHBondContact CG-OH 3.25Å; P16-Y19 PolarHBondContact O-N 3.42Å; S17-Y19 VanDerWaalsContact C-N 3.27Å; S17-Y19 PolarHBondContact O-N 2.96Å
20Q61.2Low60.9Low143 Ų143126.7 Ų126.767%0.66868%0.68SS**THydrogen-bonded Turntrans-81.1-27.6-179-82.9176-7.600113.4S17 V22 K23S17-Q20 PolarHBondContact O-N 3.16Å; Q20-V22 PolarHBondContact O-N 3.47Å; Q20-K23 PolarHBondContact O-N 2.88Å
21R55.6Low59.3Low203 Ų203127.3 Ų127.377%0.76669%0.685SS**THydrogen-bonded Turntrans-74-9.8-178.3-78.9-164-89.4-163.1-2.8115.2
22V54.5Low57.4Low126 Ų126126.9 Ų126.976%0.76468%0.684SS**THydrogen-bonded Turntrans-86.5-11.3179.8-174.40000112.2Q20Q20-V22 PolarHBondContact O-N 3.47Å
23K55.8Low55.4Low189 Ų189126.7 Ų126.782%0.82269%0.687SS**SBendtrans-97.3-10.7-176.1-82.8-174.4175.1-179.10116.3Q20Q20-K23 PolarHBondContact O-N 2.88Å
24E54.9Low53.7Low174 Ų174126.9 Ų126.981%0.81369%0.693SS**SBendtrans-103.9-6.1-175.7-82.9-175.9153.300115.5
25N47.3Very low51.7Low146 Ų146130 Ų13078%0.78172%0.716SS**  trans-109.740-176-64.7-23.6000113.6
26G42.1Very low49.6Very low56 Ų56134 Ų13458%0.57773%0.731SS**  trans-86.9132.4170.600000111.3L28G26-L28 PolarHBondContact O-N 2.67Å; G26-L28 VanDerWaalsContact O-N 3.11Å
27P38Very low47.6Very low119 Ų119137.4 Ų137.477%0.77374%0.738SS**  trans-71.5109.5-177.228.5-31000109.9I29P27-I29 VanDerWaalsContact C-N 3.31Å; P27-I29 PolarHBondContact O-N 2.74Å
28L44.4Very low45.5Very low170 Ų170140 Ų14089%0.8976%0.755SS**  trans-77.486.4173.3-134.6123.8000108.9G26 G30G26-L28 PolarHBondContact O-N 2.67Å; G26-L28 VanDerWaalsContact O-N 3.11Å; L28-G30 PolarHBondContact O-N 3.47Å
29I33.8Very low43.9Very low166 Ų166138.5 Ų138.585%0.85176%0.764SS**  trans-64111.3161.3-62.9169.1000106.6P27P27-I29 VanDerWaalsContact C-N 3.31Å; P27-I29 PolarHBondContact O-N 2.74Å
30G33.8Very low42.2Very low56 Ų56136.9 Ų136.958%0.57777%0.773SS**  trans163.182173.100000117.2L28L28-G30 PolarHBondContact O-N 3.47Å
31A33.3Very low41.2Very low93 Ų93138.4 Ų138.477%0.76978%0.78SS**  trans81.1130.5136.900000121.1
32Q37.6Very low40.4Very low176 Ų176136.1 Ų136.182%0.82278%0.783SS**  trans102.883.8150.4-56.5-170.36700119
33T34.5Very low40.2Very low115 Ų115135.1 Ų135.171%0.70679%0.789SS**  29.8118.1116.359.70000118.1
34T41Very low39.4Very low128 Ų128133.7 Ų133.779%0.78579%0.79SS**  174.1127.793.8340000112.8
35S38.8Very low39Very low114 Ų114131 Ų13180%0.79779%0.79SS**  trans56.7111.2140.9640000122.2
36I35.5Very low38.7Very low166 Ų166132 Ų13285%0.85180%0.795SS**  trans-56.1139.8154.9-61.4158.1000111.6
37Q32.8Very low39.1Very low182 Ų182135 Ų13585%0.8581%0.807SS**  trans-150.7113.8153.4-150.9165.62000111.4
38C34Very low39.4Very low122 Ų122133.8 Ų133.882%0.82480%0.802SS**  trans-109.4147.3155.9-75.20000107.4
39P40Very low39.6Very low125 Ų125132.8 Ų132.881%0.81280%0.798SS**  trans-128.6158152.927.9-9.8000114.1
40S37.3Very low40Very low106 Ų106132.5 Ų132.574%0.74180%0.798SS**  trans-75.6154.2-167.854.10000116.8
41E40Very low40.5Very low174 Ų174133.6 Ų133.681%0.81380%0.802SS**  trans19.2151.1133.1-47.5-169.4141.900122.4
42D38.9Very low40.8Very low155 Ų155135.5 Ų135.583%0.82981%0.806SS**  trans92.5106.8161.6-56.6-29.5000119.7
43A49.6Very low40.9Very low106 Ų106133.8 Ų133.888%0.87680%0.802SS**  -178.7127.3122.200000113.4
44N39.7Very low41Very low159 Ų159136.8 Ų136.885%0.8581%0.81SS**  trans-36.5147.3164.2-86.2-27.5000116.2
45S46.2Very low40.9Very low117 Ų117136.6 Ų136.682%0.81881%0.809SS**  179.4103.6115-72.30000112.1
46D41Very low40.9Very low166 Ų166139.9 Ų139.989%0.88881%0.811SS**  16.6117.2127-140.74.4000119.4
47S51.2Low40.8Very low119 Ų119135.3 Ų135.383%0.83281%0.805SS**  -171.3140.6124.884.50000112.4
48S43.8Very low41Very low95 Ų95136.2 Ų136.266%0.66481%0.806SS**  trans-72.2154.8-179.460.70000114.4
49D50Low41.2Very low149 Ų149136.8 Ų136.880%0.79781%0.806SS**  172.6146.1116.4-84.5-9.3000112.7
50D41.3Very low41.3Very low160 Ų160139.8 Ų139.886%0.85681%0.806SS**  trans-32.7132.9-178.4-68.8-58.7000119.9
51A44.7Very low41.2Very low79 Ų79141.4 Ų141.465%0.65381%0.812SS**  171.6144.7125.300000112.7L53A51-L53 PolarHBondContact O-N 3.39Å
52P38.5Very low41.2Very low132 Ų132138.6 Ų138.686%0.85781%0.806SS**  trans-8697.3-178.634.2-29000109.9
53L39.6Very low41.3Very low141 Ų141139.4 Ų139.474%0.73881%0.805SS**  trans-112.6107.4175.5-105149.9000111A51 T55A51-L53 PolarHBondContact O-N 3.39Å; L53-T55 PolarHBondContact O-N 3.47Å
54M37.3Very low41Very low178 Ų178141.9 Ų141.988%0.87780%0.804SS**  trans-30104.2158-74.8-83.2149.600110.8
55T39Very low41.1Very low124 Ų124140.1 Ų140.176%0.76179%0.793SS**  trans-127.2112.7170.945.60000108.6L53 G57L53-T55 PolarHBondContact O-N 3.47Å; T55-G57 PolarHBondContact O-N 2.86Å
56H38.6Very low41.5Very low182 Ų182140.6 Ų140.684%0.84378%0.782SS**  trans-42.7119.6172.4-62.5-90.5000109.9K58H56-K58 PolarHBondContact O-N 2.87Å
57G34.5Very low42.2Very low71 Ų71141.3 Ų141.373%0.73277%0.772SS**  trans-57104.3175.400000109.7T55 V59T55-G57 PolarHBondContact O-N 2.86Å; G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.13Å
58K36.1Very low42.5Very low201 Ų201145 Ų14587%0.87477%0.768SS**  trans-63.597.2163.9-75.4-178.9175.7177.20107.1H56 K60H56-K58 PolarHBondContact O-N 2.87Å; K58-K60 PolarHBondContact O-N 2.94Å; K58-K60 VanDerWaalsContact O-N 3.11Å
59V38Very low43Very low133 Ų133147.4 Ų147.481%0.80677%0.767SS**  trans-63.1111.6165.6-178.90000106.2G57 T61G57-V59 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 3.13Å; V59-T61 PolarHBondContact O-N 3.33Å
60K42.5Very low43.1Very low188 Ų188144.1 Ų144.182%0.81776%0.76SS**  trans-56.9120.3170.2-78.1175.5174.4175.80107.5K58 V62K58-K60 PolarHBondContact O-N 2.94Å; K58-K60 VanDerWaalsContact O-N 3.11Å; K60-V62 PolarHBondContact O-N 3.41Å
61T34.8Very low44.1Very low141 Ų141142 Ų14287%0.86576%0.755SS**  trans-50.5106.7169.2-36.30000107.7V59 Q63V59-T61 PolarHBondContact O-N 3.33Å; T61-Q63 PolarHBondContact O-N 3.48Å; T61-Q63 VanDerWaalsContact O-N 3.14Å
62V40.9Very low45.1Very low115 Ų115146.7 Ų146.770%0.69776%0.764SS**  trans-64.3115.1167.7175.30000104.5K60 D64K60-V62 PolarHBondContact O-N 3.41Å; V62-D64 PolarHBondContact O-N 3.32Å
63Q40.7Very low45.5Very low171 Ų171149.9 Ų149.980%0.79976%0.764SS**  trans-40.5125.1170.4-136.5167.115.600108.1T61 I65T61-Q63 PolarHBondContact O-N 3.48Å; T61-Q63 VanDerWaalsContact O-N 3.14Å; Q63-I65 VanDerWaalsContact C-N 3.27Å; Q63-I65 WeakPolarHBondContact O-CG1 3.42Å; Q63-I65 PolarHBondContact O-N 3.39Å
64D42Very low46.2Very low159 Ų159149.6 Ų149.685%0.8576%0.762SS**  trans-53.993.5176-77.6-41.6000108.9V62 E66V62-D64 PolarHBondContact O-N 3.32Å; D64-E66 PolarHBondContact O-N 2.91Å
65I43.5Very low46.6Very low121 Ų121144.6 Ų144.662%0.62174%0.743SS**  trans-67.7133.1172.5-66.4170000105.2Q63 W67Q63-I65 VanDerWaalsContact C-N 3.27Å; Q63-I65 WeakPolarHBondContact O-CG1 3.42Å; Q63-I65 PolarHBondContact O-N 3.39Å; I65-W67 PolarHBondContact O-N 3.2Å; I65-W67 PolarHBondContact O-NE1 3.43Å
66E54.3Low47.1Very low127 Ų127150.1 Ų150.159%0.59375%0.75SS**  trans-77.163.1-170.3-164.3175.1-154.400111.1D64 W68 K69D64-E66 PolarHBondContact O-N 2.91Å; E66-W68 PolarHBondContact O-N 3.04Å; E66-W68 VanDerWaalsContact O-N 3.16Å; E66-K69 VanDerWaalsContact CD-NZ 3.33Å; E66-K69 HydrophobicContact CG-CD 4.1Å; E66-K69 HydrophobicContact CG-CG 4.17Å; E66-K69 WeakPolarHBondContact OE1-CD 3.47Å; E66-K69 WeakPolarHBondContact OE1-CE 3.34Å; E66-K69 IonicContact OE1-NZ 3.8Å; E66-K69 PolarHBondContact OE1-NZ 2.96Å; E66-K69 IonicContact OE2-NZ 3.03Å; E66-K69 PolarHBondContact OE2-NZ 3.3Å
67W56Low47.6Very low181 Ų181146.5 Ų146.569%0.68675%0.745SS**THydrogen-bonded Turntrans-77.77.8-175.345.9-89.5000114.4I65I65-W67 PolarHBondContact O-N 3.2Å; I65-W67 PolarHBondContact O-NE1 3.43Å
68W56.2Low47.8Very low196 Ų196149.2 Ų149.274%0.74274%0.742SS**THydrogen-bonded Turntrans-109.6-2-177.3-48.998.3000114.5E66 A70E66-W68 PolarHBondContact O-N 3.04Å; E66-W68 VanDerWaalsContact O-N 3.16Å; W68-A70 PolarHBondContact O-N 2.96Å; W68-A70 VanDerWaalsContact O-N 3.16Å
69K54.7Low48.1Very low146 Ų146148.1 Ų148.164%0.63574%0.74SS**  trans-75.8105.8172.7-91.7-177.3176157.50109.5E66E66-K69 VanDerWaalsContact CD-NZ 3.33Å; E66-K69 HydrophobicContact CG-CD 4.1Å; E66-K69 HydrophobicContact CG-CG 4.17Å; E66-K69 WeakPolarHBondContact OE1-CD 3.47Å; E66-K69 WeakPolarHBondContact OE1-CE 3.34Å; E66-K69 IonicContact OE1-NZ 3.8Å; E66-K69 PolarHBondContact OE1-NZ 2.96Å; E66-K69 IonicContact OE2-NZ 3.03Å; E66-K69 PolarHBondContact OE2-NZ 3.3Å
70A51.6Low48.1Very low80 Ų80147.7 Ų147.766%0.66174%0.738SS**  trans-51.9144.2165.200000109.6W68 E72W68-A70 PolarHBondContact O-N 2.96Å; W68-A70 VanDerWaalsContact O-N 3.16Å; A70-E72 PolarHBondContact O-N 3.49Å; A70-E72 VanDerWaalsContact O-N 3.13Å
71P63.6Low48Very low115 Ų115145.3 Ų145.375%0.74774%0.739SS**  trans-54.8122.8172.5-19.130000108.8F73P71-F73 PolarHBondContact O-N 3.19Å
72E65.3Low48.6Very low179 Ų179146.4 Ų146.484%0.83674%0.738SS**  trans-55111.4174-75.7-177.5167.600108.6A70 I74A70-E72 PolarHBondContact O-N 3.49Å; A70-E72 VanDerWaalsContact O-N 3.13Å; E72-I74 PolarHBondContact O-N 2.95Å
73F45.8Very low48.3Very low199 Ų199148.7 Ų148.787%0.87375%0.747SS**  trans-69.7100.3172.8-108-96.1000107.8P71 P75P71-F73 PolarHBondContact O-N 3.19Å; F73-P75 VanDerWaalsContact O-CD 3.27Å; F73-P75 WeakPolarHBondContact O-CD 3.46Å
74I54.6Low48.2Very low135 Ų135144 Ų14469%0.69274%0.744SS**  trans-75.3115.1169.1-58.4173.9000107.2E72 R76E72-I74 PolarHBondContact O-N 2.95Å; I74-R76 PolarHBondContact O-N 3.47Å
75P45.2Very low48Very low73 Ų73145.8 Ų145.847%0.47475%0.747SS.*  trans-60.6126.4174.7-17.931.1000108.9F73 S77 L78F73-P75 VanDerWaalsContact O-CD 3.27Å; F73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-S77 WeakPolarHBondContact CB-OG 3.26Å; P75-S77 PolarHBondContact O-N 3.37Å; P75-L78 PolarHBondContact O-N 3.31Å
76R49.8Very low47.6Very low240 Ų240144.5 Ų144.591%0.90676%0.755SS**G310 helixtrans-61.8-3.6177.2-65.8-174.7178.3-153.90.5113.6I74 L78I74-R76 PolarHBondContact O-N 3.47Å; R76-L78 VanDerWaalsContact C-N 3.34Å
77S49.2Very low47.2Very low106 Ų106144 Ų14474%0.74176%0.763SS**G310 helixtrans-80.1-6.2176.753.30000114.7P75P75-S77 WeakPolarHBondContact CB-OG 3.26Å; P75-S77 PolarHBondContact O-N 3.37Å
78L40.1Very low46.6Very low127 Ų127140.3 Ų140.367%0.66576%0.762SS**G310 helixtrans-110.426.3178.4-71173.7000114.2P75 R76 T80P75-L78 PolarHBondContact O-N 3.31Å; R76-L78 VanDerWaalsContact C-N 3.34Å; L78-T80 PolarHBondContact O-N 2.97Å
79Q40.9Very low45.7Very low179 Ų179136 Ų13684%0.83676%0.762SS**  trans-76.876.8159.8-96.7177.45.900109.3V81Q79-V81 PolarHBondContact O-N 3.02Å; Q79-V81 VanDerWaalsContact O-N 3.13Å
80T39.7Very low45Very low123 Ų123133.5 Ų133.576%0.75576%0.763SS**  trans-63.3110.2160.440.10000107.9L78 L82L78-T80 PolarHBondContact O-N 2.97Å; T80-L82 PolarHBondContact O-N 3.06Å; T80-L82 VanDerWaalsContact O-N 3.16Å
81V40.3Very low44.5Very low139 Ų139138 Ų13884%0.84277%0.77SS**  trans-46.4117.3167.1174.40000108Q79Q79-V81 PolarHBondContact O-N 3.02Å; Q79-V81 VanDerWaalsContact O-N 3.13Å
82L46.3Very low43.4Very low163 Ų163138.7 Ų138.785%0.85377%0.767SS**  trans-65.4131.6179-150.895.7000109.2T80T80-L82 PolarHBondContact O-N 3.06Å; T80-L82 VanDerWaalsContact O-N 3.16Å
83D35.8Very low42.1Very low164 Ų164136.8 Ų136.888%0.87776%0.761SS**  trans-45132.6-179.9-71.3-60.6000114.5
84G37.2Very low41.7Very low71 Ų71133 Ų13373%0.73276%0.758SS**  trans-151.285.5168.900000109.9
85E37.6Very low40.8Very low197 Ų197130.8 Ų130.892%0.92176%0.76SS**  trans48.5105.1156.3-64.5-174.6132.800119.4
86A36.5Very low40.5Very low95 Ų95132.7 Ų132.779%0.78577%0.773SS**  trans-79.7-18015000000110.1
87P45.6Very low40Very low117 Ų117127.5 Ų127.576%0.7677%0.768SS**  cis-140.1-151.1-6.243.6-22.8000110.2
88P42.5Very low39.6Very low103 Ų103128.3 Ų128.367%0.66977%0.768SS**  cis-132.8158.7-14.740.5-22.9000115.9
89S37.1Very low39.7Very low105 Ų105127.6 Ų127.673%0.73477%0.771SS**  trans57.1141.2134.468.10000123.8
90S39.7Very low39.6Very low94 Ų94129.2 Ų129.266%0.65777%0.771SS**  trans91.2106.7152.278.40000118.2
91E41.6Very low39.7Very low174 Ų174130.8 Ų130.881%0.81377%0.774SS**  50.5120.3119.6-61.7164.2-179.300114.4
92D41.4Very low39.7Very low130 Ų130129.2 Ų129.270%0.69577%0.768SS**  171.8150.152.2-118.9-18.9000108.6
93I36.7Very low39.5Very low138 Ų138127.9 Ų127.971%0.70877%0.767SS**  trans80.9112.1137-61.5165.3000121.1
94C37.3Very low39.6Very low120 Ų120128.6 Ų128.681%0.81177%0.765SS**  trans74.2110.8138.8-75.70000123
95A36.3Very low39.8Very low88 Ų88130.3 Ų130.373%0.72777%0.766SS**  trans-62.8176.9136.800000110.5
96P39Very low39.9Very low114 Ų114128.5 Ų128.574%0.7476%0.757SS**  cis-146.4-164.31634.4-8.7000115.1
97T40.2Very low39.8Very low130 Ų130131.7 Ų131.780%0.79876%0.756SS**  trans114.7105145.6-320000117.8
98V39.8Very low39.4Very low124 Ų124130.3 Ų130.375%0.75275%0.754SS**  trans-70.9165.1159.4-140.90000109.4
99P42.7Very low39.4Very low111 Ų111131.6 Ų131.672%0.72176%0.755SS**  cis-158.6167.249.537.9-11.9000120.5
100Y38.6Very low39.5Very low214 Ų214134.7 Ų134.784%0.83976%0.755SS**  trans35.6133.3145.5-82.4-94.5000125
101D42.1Very low39.5Very low155 Ų155134.5 Ų134.583%0.82975%0.754SS**  -168.6119.1128.9-97.2-27.7000110.3
102C40.4Very low39.7Very low106 Ų106133.6 Ų133.672%0.71675%0.749SS**  69.112299.9-125.60000113.2
103V42Very low39.5Very low135 Ų135133.9 Ų133.982%0.81875%0.751SS**  -172.7156.450.7-96.80000111.7
104E37.1Very low39.7Very low179 Ų179132.1 Ų132.184%0.83675%0.751SS**  trans-63.8154.5173.9-69.2163.1125.700115.9
105S41.7Very low39.9Very low107 Ų107137.6 Ų137.675%0.74876%0.756SS**  162.1118.3113.8-70.90000113.8
106E38.9Very low40.2Very low160 Ų160136.7 Ų136.775%0.74876%0.755SS**  55.4129.7129.2-63.9-159.1172.300124.6
107Q35.8Very low40.1Very low162 Ų162138.9 Ų138.976%0.75776%0.761SS**  trans91.8128.2133.4-79.3174.838.300121.1
108A37.5Very low40.5Very low87 Ų87140.2 Ų140.272%0.71976%0.762SS**  trans79.2142.5147.400000115.6
109L41.3Very low40.8Very low131 Ų131140.9 Ų140.969%0.68676%0.761SS**  cis177.6160.35.3-119.5169.5000105.3
110F39.4Very low40.5Very low170 Ų170148 Ų14875%0.74677%0.774SS**  trans80.1116.6167-55.4-71.4000117.3
111S39.7Very low40.5Very low89 Ų89142.3 Ų142.362%0.62277%0.765SS**  cis110123.635.5-76.70000110.1
112H45.1Very low40.5Very low155 Ų155142.8 Ų142.872%0.71877%0.767SS**  140.5108.2126.3-81.6-68.2000113.7
113D37.3Very low40.5Very low136 Ų136142.6 Ų142.673%0.72777%0.773SS**  53.9131.4122.8-52.6-19.1000120.7
114S42.4Very low40.3Very low101 Ų101143.5 Ų143.571%0.70677%0.774SS**  173.8116.8108.3-175.90000114
115Y41.5Very low40.4Very low236 Ų236145.6 Ų145.693%0.92577%0.774SS**  trans60.3137.9142-73.6-109.1000120.6
116G42Very low40.3Very low68 Ų68149 Ų14970%0.70178%0.783SS**  cis-170.71342.200000107.2
117D36.8Very low40Very low161 Ų161146.6 Ų146.686%0.86178%0.783SS**  67.2101.387.1-155.118.4000114.5
118L49Very low40.3Very low158 Ų158146.6 Ų146.683%0.82779%0.785SS**  trans-171.8122.6143-100.8153.4000111
119D44.8Very low40.1Very low138 Ų138147.5 Ų147.574%0.73879%0.786SS**  trans76.964.5160.6-66.5-25.5000121.1S121D119-S121 PolarHBondContact O-N 3.45Å
120R37.6Very low40Very low259 Ų259147.7 Ų147.798%0.97779%0.793SS**  trans-77.291138.2-89.7176.4162177.4-4.9109.7
121S38.3Very low40Very low95 Ų95144.6 Ų144.666%0.66479%0.79SS**  trans-154.380.7165.71690000110.1D119D119-S121 PolarHBondContact O-N 3.45Å
122L42.3Very low39.8Very low165 Ų165147.5 Ų147.586%0.86480%0.797SS**SBendtrans-179.20.8157.5-103158.3000113.3D124L122-D124 VanDerWaalsContact C-N 3.31Å; L122-D124 PolarHBondContact O-N 3.39Å
123A39.3Very low39.4Very low102 Ų102147.9 Ų147.984%0.84380%0.803SS**THydrogen-bonded Turntrans-8765.416900000110.7
124D39.6Very low39.7Very low155 Ų155145.5 Ų145.583%0.82979%0.794SS**THydrogen-bonded Turntrans-164.221.1166.5-124.9-4.1000116.9L122L122-D124 VanDerWaalsContact C-N 3.31Å; L122-D124 PolarHBondContact O-N 3.39Å
125R39.1Very low39.9Very low223 Ų223146.7 Ų146.784%0.84280%0.799SS**SBendtrans-134.112.3-175.3-67.9-162.975.2176.82.5118.9
126L39.5Very low39.8Very low179 Ų179143.1 Ų143.194%0.93779%0.79SS**  trans-13443.5169-65.9174.6000112.8
127S32.6Very low39.7Very low108 Ų108145.6 Ų145.676%0.75580%0.797SS**  trans-101.471.9158.4-70.10000108.4
128M40.6Very low40Very low163 Ų163145.8 Ų145.880%0.80380%0.796SS**  trans-122.588.4166.4-73.8-75.3110.700107.7T130M128-T130 PolarHBondContact O-N 3.31Å
129S33.3Very low39.4Very low105 Ų105140.9 Ų140.973%0.73478%0.784SS**  trans-4.6102.7150.246.50000115.4P131S129-P131 WeakPolarHBondContact O-CD 3.49Å
130T39.3Very low39.4Very low135 Ų135141 Ų14183%0.82878%0.783SS**  trans-77.9117.8150.133.50000107.8M128M128-T130 PolarHBondContact O-N 3.31Å
131P40.7Very low39.6Very low105 Ų105134.6 Ų134.668%0.68278%0.775SS**  trans-72.9138178.729.3-31.8000109.9S129 L133S129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-L133 PolarHBondContact O-N 2.97Å
132I35.6Very low39.7Very low151 Ų151141.1 Ų141.177%0.77479%0.785SS**  trans-53.1104.6162.5-64.2166.7000107.8T134I132-T134 VanDerWaalsContact C-N 3.27Å; I132-T134 HydrophobicContact CG2-CG2 4.02Å; I132-T134 PolarHBondContact O-N 3.27Å; I132-T134 VanDerWaalsContact O-N 3.07Å
133L35.6Very low39.7Very low163 Ų163141.2 Ų141.285%0.85379%0.786SS**  trans-8082.9166.9-98.6154.8000108.4P131P131-L133 PolarHBondContact O-N 2.97Å
134T43.4Very low39.8Very low86 Ų86143.6 Ų143.653%0.52878%0.783SS.*PPolyproline II helixtrans-70.9132.3155.5310000108.1I132 H136I132-T134 VanDerWaalsContact C-N 3.27Å; I132-T134 HydrophobicContact CG2-CG2 4.02Å; I132-T134 PolarHBondContact O-N 3.27Å; I132-T134 VanDerWaalsContact O-N 3.07Å; T134-H136 PolarHBondContact O-N 3.49Å; T134-H136 VanDerWaalsContact O-N 3.09Å; T134-H136 PolarHBondContact O-ND1 2.97Å
135P47.2Very low39.8Very low125 Ų125143.1 Ų143.181%0.81278%0.781SS**PPolyproline II helixtrans-63.1117.7168.625.7-29.6000108.2S137P135-S137 PolarHBondContact O-N 3.5Å
136H39.7Very low39.9Very low161 Ų161137.4 Ų137.475%0.74578%0.781SS**PPolyproline II helixtrans-59.8127.4179.4-79.223.1000111.4T134 I138T134-H136 PolarHBondContact O-N 3.49Å; T134-H136 VanDerWaalsContact O-N 3.09Å; T134-H136 PolarHBondContact O-ND1 2.97Å; H136-I138 PolarHBondContact O-N 3.43Å; H136-I138 VanDerWaalsContact O-N 3.11Å
137S39.7Very low40.1Very low120 Ų120139.9 Ų139.984%0.83978%0.778SS**  trans-61.4103.5156.7-53.50000108.8P135 G139P135-S137 PolarHBondContact O-N 3.5Å; S137-G139 PolarHBondContact O-N 3.09Å
138I43.8Very low40.5Very low165 Ų165140.4 Ų140.485%0.84678%0.779SS**  trans-70.8108.2171.4-68171.2000108.1H136H136-I138 PolarHBondContact O-N 3.43Å; H136-I138 VanDerWaalsContact O-N 3.11Å
139G36.5Very low40.5Very low56 Ų56137.2 Ų137.258%0.57778%0.779SS**  trans-81.3130.8163.500000111.2S137S137-G139 PolarHBondContact O-N 3.09Å
140I43.8Very low41.3Very low140 Ų140138 Ų13872%0.71878%0.781SS**  trans51133.4137.5-46.9172.5000117.9R142I140-R142 HydrophobicContact CG2-CB 4.45Å; I140-R142 HydrophobicContact CG2-CG 3.9Å
141P41.4Very low41.4Very low124 Ų124136 Ų13681%0.80578%0.778SS**  -118.9127.6121.633.5-27.6000110.6L143P141-L143 PolarHBondContact O-N 3.32Å
142R40.8Very low41.8Very low233 Ų233135.3 Ų135.388%0.87978%0.782SS**  trans-65.3128164.6-74.9-176.1167.3161.2-3.2106.3I140I140-R142 HydrophobicContact CG2-CB 4.45Å; I140-R142 HydrophobicContact CG2-CG 3.9Å
143L41.4Very low42.5Very low166 Ų166132.9 Ų132.987%0.86978%0.776SS**  trans-127.3131.2156.3-126.8148.5000108.9P141P141-L143 PolarHBondContact O-N 3.32Å
144L42.8Very low42.9Very low152 Ų152133.5 Ų133.580%0.79677%0.772SS**  trans-58.2139-170.7-74.5125000113.6
145D39.2Very low43.2Very low146 Ų146137.6 Ų137.678%0.78178%0.783SS**  57.2107.4118.9-148.511.9000118.1
146A41.6Very low43.2Very low102 Ų102136.4 Ų136.484%0.84378%0.775SS**  trans-164.9116.6137.900000112.3
147R43Very low43.8Very low231 Ų231134.7 Ų134.787%0.87278%0.776SS**PPolyproline II helixtrans-52160.7169.6-172.6172.7-174.4175.42.5114.5
148P40.7Very low44.2Very low119 Ų119133.9 Ų133.977%0.77377%0.768SS**PPolyproline II helixtrans-78.5156.8-166.931.9-35.6000114.7
149A40.3Very low44.1Very low97 Ų97131.4 Ų131.480%0.80276%0.76SS**PPolyproline II helixtrans-55.2157.4175.700000114.7
150P50.1Low44.3Very low120 Ų120140.6 Ų140.678%0.77978%0.777SS**  -136.2153.2126.136.4-24.3000114.6
151A42.1Very low44.3Very low93 Ų93138.8 Ų138.877%0.76977%0.773SS**  trans62.699.4151.100000117.7
152A48.3Very low44.4Very low92 Ų92141.6 Ų141.676%0.7678%0.775SS**  84.3163.383.400000112.8
153P51.9Low44.5Very low99 Ų99135.7 Ų135.764%0.64377%0.77SS**  -117.9-175.2-77.630.3-12.3000109.2
154F43Very low44.4Very low176 Ų176136.6 Ų136.677%0.77277%0.769SS**  trans167.789.5135.4-90.4-85.5000107.7
155F49.1Very low44.6Very low172 Ų172141 Ų14175%0.75478%0.775SS**  93.1151111.3-86.9-81.7000114.1
156P48.7Very low45.1Very low100 Ų100139.4 Ų139.465%0.64977%0.773SS**  -135.9-163.4-11726.30.4000114.3
157V50.7Low45.1Very low126 Ų126142.8 Ų142.876%0.76478%0.776SS**  trans98.4144.8147.5-164.10000115.6
158P49.5Very low45.8Very low103 Ų103137.1 Ų137.167%0.66977%0.769SS**  -135.8149.6-54.139.6-21.2000112.2
159V41.5Very low46.2Very low112 Ų112137.1 Ų137.168%0.67977%0.769SS**  44.8118.792.8-173.10000117.3T161V159-T161 HydrophobicContact CG1-CG2 3.67Å
160W40.9Very low46.4Very low250 Ų250141 Ų14195%0.94778%0.776SS**  trans-147.9100.7133-97.913.8000106.4
161T43.9Very low46.7Very low101 Ų101141.5 Ų141.562%0.6278%0.776SS**  42.3122.187.362.10000112.8V159V159-T161 HydrophobicContact CG1-CG2 3.67Å
162Q42.7Very low47.2Very low183 Ų183142.5 Ų142.586%0.85578%0.775SS**  164.9136.381-167.5171.8200103.7
163S43.8Very low47.4Very low110 Ų110144.1 Ų144.177%0.76978%0.778SS**  cis-164.9135.346.8-167.20000109.4
164Q39.3Very low46.6Very low185 Ų185146.2 Ų146.286%0.86478%0.779SS**  trans-80.4153.4168.1-66-165.3-14.800111.5
165R46Very low46.5Very low243 Ų243146.9 Ų146.992%0.91779%0.787SS**  trans-131.9150.8145.8-107-159.1172.5172.6-1109.1
166P49.2Very low46.1Very low114 Ų114145.9 Ų145.974%0.7478%0.782SS**PPolyproline II helixtrans-93.2149.7-151.52.118.8000113.7
167L42.8Very low45.9Very low172 Ų172146.9 Ų146.990%0.90179%0.789SS**PPolyproline II helixtrans-72.2140.7169-73.2160.1000111.9
168P56.7Low45.5Very low112 Ų112147.9 Ų147.973%0.72779%0.789SS**PPolyproline II helixtrans-84.6164.5156.233.7-29.2000111.7
169P50.6Low44.7Very low120 Ų120154.9 Ų154.978%0.77980%0.802SS**PPolyproline II helixtrans-82.9157.8-149.732.2-35.3000116.1
170L43.1Very low44.7Very low179 Ų179156.5 Ų156.594%0.93781%0.805SS**  trans-41.6131173.7-87.977.8000114.3
171V56.7Low44.4Very low130 Ų130151.1 Ų151.179%0.78880%0.795SS**  trans-122.9144157.2-171.20000106.6
172P53.4Low44.4Very low113 Ų113151.3 Ų151.373%0.73480%0.798SS**PPolyproline II helixtrans-64.9166.1-162.9-17.330.7000114.9
173P51.1Low44.1Very low127 Ų127148.8 Ų148.883%0.82580%0.796SS**PPolyproline II helixtrans-71.5145-158.730-33.9000114
174Q36.8Very low43.9Very low143 Ų143147 Ų14767%0.66878%0.78SS**PPolyproline II helixtrans-58.4132.9177.4-66.3167.7-45.900112.9F176Q174-F176 HydrophobicContact CB-CD2 3.88Å; Q174-F176 HydrophobicContact CB-CE2 3.89Å; Q174-F176 VanDerWaalsContact CD-CE2 3.45Å; Q174-F176 HydrophobicContact CG-CE2 4.27Å
175M40.7Very low44Very low190 Ų190142.6 Ų142.694%0.93678%0.775SS**  trans-92.2103.6141.1-77-165.4-66.400107.1
176F39.9Very low43.8Very low151 Ų151134.5 Ų134.566%0.66276%0.761SS**  trans-69.9134.5164-73.6-87.1000108.8Q174 L178Q174-F176 HydrophobicContact CB-CD2 3.88Å; Q174-F176 HydrophobicContact CB-CE2 3.89Å; Q174-F176 VanDerWaalsContact CD-CE2 3.45Å; Q174-F176 HydrophobicContact CG-CE2 4.27Å; F176-L178 PolarHBondContact O-N 3.26Å
177P45.2Very low43.6Very low121 Ų121131.8 Ų131.879%0.78675%0.748SS**  trans-73122.314523.1-11.4000106.8R179P177-R179 PolarHBondContact O-N 2.82Å
178L40.8Very low43.5Very low147 Ų147126.4 Ų126.477%0.7773%0.728SS**  trans-38.3130.4172.5-76.7144000111.3F176 I180F176-L178 PolarHBondContact O-N 3.26Å; L178-I180 VanDerWaalsContact C-N 3.3Å; L178-I180 HydrophobicContact CB-CG1 4.36Å; L178-I180 PolarHBondContact O-N 2.87Å
179R33.3Very low42.8Very low250 Ų250123.8 Ų123.894%0.94372%0.715SS**  trans-58.398.6156.7-80.7-176.1174.9154-2.2107.5P177P177-R179 PolarHBondContact O-N 2.82Å
180I42.7Very low42.5Very low145 Ų145120.7 Ų120.774%0.74470%0.7SS**  trans-89.1114.2162.8-58.1175.7000105.2L178 P182L178-I180 VanDerWaalsContact C-N 3.3Å; L178-I180 HydrophobicContact CB-CG1 4.36Å; L178-I180 PolarHBondContact O-N 2.87Å; I180-P182 VanDerWaalsContact O-CD 3.25Å; I180-P182 WeakPolarHBondContact O-CD 3.18Å
181N34.1Very low42.5Very low137 Ų137114.5 Ų114.573%0.73368%0.675SS**  trans-63.8118.3161.7-88.5-20.1000107.7T183N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 3.49Å
182P43.9Very low41.9Very low106 Ų106113.9 Ų113.969%0.68867%0.666SS**  trans-84.591159.832.2-24.2000106.9I180 T184I180-P182 VanDerWaalsContact O-CD 3.25Å; I180-P182 WeakPolarHBondContact O-CD 3.18Å; P182-T184 PolarHBondContact O-N 3.41Å
183T35.1Very low41.4Very low130 Ų130112.6 Ų112.680%0.79866%0.66SS**  trans-6871.7159.6-450000108N181N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 PolarHBondContact O-N 3.49Å
184T40.4Very low41.2Very low72 Ų72111.4 Ų111.444%0.44265%0.646SS.*  trans-151.984.8175.8390000110.8P182 A186 A187P182-T184 PolarHBondContact O-N 3.41Å; T184-A186 PolarHBondContact O-N 3.35Å; T184-A187 PolarHBondContact O-N 2.75Å
185A41.2Very low41.5Very low93 Ų93110.5 Ų110.577%0.76964%0.64SS**Hα-helixtrans-53.2-18.2161.700000112.7A189A185-A189 PolarHBondContact O-N 3.4Å
186A42.8Very low41.6Very low73 Ų73105.1 Ų105.160%0.60362%0.621SS**Hα-helixtrans-72.9-34.3174.300000114.4T184 A189 A190T184-A186 PolarHBondContact O-N 3.35Å; A186-A189 PolarHBondContact O-N 2.87Å; A186-A190 PolarHBondContact O-N 3.2Å; A186-A190 VanDerWaalsContact O-N 3.09Å
187A44.5Very low41.9Very low57 Ų57100.7 Ų100.747%0.47161%0.612SS.*Hα-helixtrans-76.8-36.2-179.700000111.8T184 A189 A190 A191T184-A187 PolarHBondContact O-N 2.75Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.48Å; A187-A190 PolarHBondContact O-N 3.33Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 2.73Å
188A40.2Very low42Very low58 Ų5897.4 Ų97.448%0.47960%0.595SS.*Hα-helixtrans-65.3-34.317100000112.1L192A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 WeakPolarHBondContact O-CD1 3.48Å; A188-L192 WeakPolarHBondContact O-CG 3.39Å; A188-L192 PolarHBondContact O-N 3Å
189A41.4Very low42.7Very low57 Ų5794.9 Ų94.947%0.47159%0.59SS.*Hα-helixtrans-68.9-37.3174.100000112.5A185 A186 A187 L192 S193A185-A189 PolarHBondContact O-N 3.4Å; A186-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 3.48Å; A189-L192 PolarHBondContact O-N 3.26Å; A189-S193 WeakPolarHBondContact O-CB 3.31Å; A189-S193 PolarHBondContact O-N 3.44Å
190A44.9Very low44.3Very low55 Ų5586.9 Ų86.946%0.45557%0.572SS.*Hα-helixtrans-68.3-41.3174.600000112.4A186 A187 L192 S193 L194A186-A190 PolarHBondContact O-N 3.2Å; A186-A190 VanDerWaalsContact O-N 3.09Å; A187-A190 PolarHBondContact O-N 3.33Å; A190-L192 PolarHBondContact O-N 3.12Å; A190-S193 PolarHBondContact O-N 3.11Å; A190-L194 PolarHBondContact O-N 3.17Å; A190-L194 VanDerWaalsContact O-N 3.11Å
191A42.5Very low46Very low49 Ų4983 Ų8341%0.40556%0.555SS.*Hα-helixtrans-69.1-30.2175.500000113.2A187 K195A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 2.73Å; A191-K195 PolarHBondContact O-N 2.98Å
192L44.1Very low48.3Very low117 Ų11779.6 Ų79.661%0.61354%0.541SS*.Hα-helixtrans-75.3-31171.9-73.8167.4000112.4A188 A189 A190 K195 S196A188-L192 VanDerWaalsContact O-CB 3.31Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 WeakPolarHBondContact O-CD1 3.48Å; A188-L192 WeakPolarHBondContact O-CG 3.39Å; A188-L192 PolarHBondContact O-N 3Å; A189-L192 PolarHBondContact O-N 3.26Å; A190-L192 PolarHBondContact O-N 3.12Å; L192-K195 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-N 3.39Å
193S44.3Very low50.2Low86 Ų8679.6 Ų79.660%0.60155%0.55SS*.Hα-helixtrans-70.2-35.4175.5-151.30000112.2A189 A190 S196 A197A189-S193 WeakPolarHBondContact O-CB 3.31Å; A189-S193 PolarHBondContact O-N 3.44Å; A190-S193 PolarHBondContact O-N 3.11Å; S193-S196 PolarHBondContact O-N 3.43Å; S193-A197 PolarHBondContact O-N 3.44Å
194L45.9Very low52.7Low102 Ų10275.4 Ų75.453%0.53453%0.533SS..Hα-helixtrans-71.8-31.9173.8-74.8162.6000113.2A190 S196 A197A190-L194 PolarHBondContact O-N 3.17Å; A190-L194 VanDerWaalsContact O-N 3.11Å; L194-S196 PolarHBondContact O-N 3.45Å; L194-A197 PolarHBondContact O-N 3.02Å
195K43.1Very low55.1Low125 Ų12576.2 Ų76.254%0.54353%0.528SS..Hα-helixtrans-63.3-26.8170.5-89.8175.2174.1170.60112.8A191 L192A191-K195 PolarHBondContact O-N 2.98Å; L192-K195 PolarHBondContact O-N 3.37Å
196S42.6Very low57.3Low76 Ų7673.5 Ų73.553%0.53150%0.503SS..Hα-helixtrans-79.2-31.3176.6-149.80000112.8L192 S193 L194 A198 S199L192-S196 PolarHBondContact O-N 3.39Å; S193-S196 PolarHBondContact O-N 3.43Å; L194-S196 PolarHBondContact O-N 3.45Å; S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 3.33Å; S196-S199 PolarHBondContact O-N 2.91Å; S196-S199 PolarHBondContact O-OG 3.02Å
197A46.3Very low59.4Low58 Ų5871.3 Ų71.348%0.47949%0.486SS..Hα-helixtrans-69.9-24179.500000113.8S193 L194 S199 S200S193-A197 PolarHBondContact O-N 3.44Å; L194-A197 PolarHBondContact O-N 3.02Å; A197-S199 PolarHBondContact O-N 3.48Å; A197-S200 PolarHBondContact O-OG 2.98Å
198A49.1Very low61.4Low52 Ų5272.5 Ų72.543%0.4348%0.484SS..THydrogen-bonded Turntrans-74.7-12.4173.400000113.6S196S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 3.33Å
199S54.7Low63.6Low95 Ų9576.3 Ų76.366%0.66449%0.49SS*.THydrogen-bonded Turntrans-94.6-6.8177.678.90000114.1S196 A197 V201S196-S199 PolarHBondContact O-N 2.91Å; S196-S199 PolarHBondContact O-OG 3.02Å; A197-S199 PolarHBondContact O-N 3.48Å; S199-V201 PolarHBondContact O-N 3.14Å
200S67.7Low65.9Low81 Ų8176.5 Ų76.557%0.56649%0.485SS*.  trans-102.744.6-172.968.70000113.4A197 P202A197-S200 PolarHBondContact O-OG 2.98Å; S200-P202 VanDerWaalsContact O-CD 3.22Å; S200-P202 WeakPolarHBondContact O-CD 3.46Å
201V78.4Confident67.9Low63 Ų6377.8 Ų77.838%0.38249%0.487SS..PPolyproline II helixtrans-70.1116.4167.7-176.90000107.4S199 A203 Y205 A207 L225S199-V201 PolarHBondContact O-N 3.14Å; V201-A203 PolarHBondContact O-N 3.47Å; V201-Y205 WeakPolarHBondContact CG1-O 3.39Å; V201-A207 HydrophobicContact CG1-CB 4.18Å; V201-A207 HydrophobicContact CG2-CB 3.59Å; V201-L225 HydrophobicContact CG1-CD2 4.39Å
202P82Confident69.8Low67 Ų6780.1 Ų80.144%0.43549%0.493SS..PPolyproline II helixtrans-58.4141.8-177.6-2333.9000110.9S200 G204 Y205S200-P202 VanDerWaalsContact O-CD 3.22Å; S200-P202 WeakPolarHBondContact O-CD 3.46Å; P202-G204 PolarHBondContact O-N 3.45Å; P202-Y205 HydrophobicContact CB-CD2 3.82Å; P202-Y205 HydrophobicContact CB-CE2 4.27Å; P202-Y205 HydrophobicContact CG-CD2 4.5Å; P202-Y205 PolarHBondContact O-N 3.24Å
203A82.3Confident71.7Confident105 Ų10581.4 Ų81.487%0.86850%0.5SS*.THydrogen-bonded Turntrans-53.4130.617900000110.6V201V201-A203 PolarHBondContact O-N 3.47Å
204G87.7Confident73.3Confident43 Ų4379.7 Ų79.744%0.44349%0.491SS..THydrogen-bonded Turntrans88.74.8-17600000115.1P202 K227 K228P202-G204 PolarHBondContact O-N 3.45Å; G204-K227 CarbonylContact O-C 3.57Å; G204-K228 WeakPolarHBondContact O-CB 3.48Å; G204-K228 PolarHBondContact O-N 3.41Å
205Y90.6Very high75Confident89 Ų8978.1 Ų78.135%0.34950%0.499SS..EExtended strand (participates in β ladder)trans-112.8153.2169.8-65.2-99.4000111.1V201 P202 L225 K226 K227V201-Y205 WeakPolarHBondContact CG1-O 3.39Å; P202-Y205 HydrophobicContact CB-CD2 3.82Å; P202-Y205 HydrophobicContact CB-CE2 4.27Å; P202-Y205 HydrophobicContact CG-CD2 4.5Å; P202-Y205 PolarHBondContact O-N 3.24Å; Y205-L225 HydrophobicContact CD1-CB 4.06Å; Y205-K226 CarbonylContact C-O 3.59Å; Y205-K226 WeakPolarHBondContact CA-O 3.38Å; Y205-K227 HydrophobicContact CD1-CB 3.95Å; Y205-K227 HydrophobicContact CD1-CG 4.46Å; Y205-K227 HydrophobicContact CE1-CB 3.66Å; Y205-K227 HydrophobicContact CE1-CD 4.31Å; Y205-K227 HydrophobicContact CE1-CG 4Å
206S88.1Confident76.6Confident35 Ų3581.5 Ų81.525%0.24552%0.523CS..EExtended strand (participates in β ladder)trans-111.6131.3162.753.90000108.1K226S206-K226 PolarHBondContact N-O 3.11Å; S206-K226 PolarHBondContact O-N 3.33Å; S206-K226 PolarHBondContact OG-O 3.43Å
207A87.9Confident78.6Confident28 Ų2879.5 Ų79.523%0.23151%0.514CS..EExtended strand (participates in β ladder)trans-96.6129.9175.300000109.8V201 I223 V224 L225V201-A207 HydrophobicContact CG1-CB 4.18Å; V201-A207 HydrophobicContact CG2-CB 3.59Å; A207-I223 HydrophobicContact CB-CG2 3.81Å; A207-V224 WeakPolarHBondContact CA-O 3.35Å; A207-L225 HydrophobicContact CB-CD2 3.78Å
208N86.6Confident80.5Confident81 Ų8180.5 Ų80.543%0.43352%0.515SS..EExtended strand (participates in β ladder)trans-117.7129.1168.9-74.7-35.3000108.9V224N208-V224 PolarHBondContact N-O 2.98Å; N208-V224 PolarHBondContact O-N 3.27Å
209F86.1Confident82.4Confident139 Ų13981.8 Ų81.861%0.6152%0.519SS*.EExtended strand (participates in β ladder)trans-77131170.4-61-87.9000108.6I223F209-I223 HydrophobicContact CD1-CD1 4.22Å; F209-I223 HydrophobicContact CD1-CG1 3.76Å; F209-I223 HydrophobicContact CE1-CD1 3.67Å; F209-I223 HydrophobicContact CE1-CG1 3.73Å; F209-I223 HydrophobicContact CZ-CD1 4.46Å
210T89Confident84Confident61 Ų6181.5 Ų81.537%0.37451%0.51SS..EExtended strand (participates in β ladder)trans-140.2167177-168.20000109.1A222 V224T210-A222 HydrophobicContact CG2-CB 3.99Å; T210-A222 PolarHBondContact N-O 3.39Å; T210-A222 PolarHBondContact O-N 3.07Å; T210-V224 HydrophobicContact CG2-CG2 3.56Å
211T86.2Confident85.1Confident81 Ų8180.9 Ų80.950%0.49750%0.504SS..EExtended strand (participates in β ladder)trans-113.2128168.851.80000109.4P219 I220T211-P219 HydrophobicContact CG2-CB 4.29Å; T211-I220 CarbonylContact C-O 3.52Å; T211-I220 VanDerWaalsContact CA-O 3.32Å; T211-I220 WeakPolarHBondContact CA-O 3.49Å
212L84.1Confident85.6Confident98 Ų9879 Ų7951%0.51350%0.495SS..EExtended strand (participates in β ladder)trans-84.4123.8170.3-60.7175.9000108.6A214 I220 A222L212-A214 PolarHBondContact O-N 2.95Å; L212-I220 HydrophobicContact CB-CB 4.38Å; L212-I220 PolarHBondContact N-O 3.05Å; L212-I220 PolarHBondContact O-N 3.04Å; L212-A222 HydrophobicContact CD1-CB 3.9Å; L212-A222 HydrophobicContact CG-CB 3.8Å
213N83.8Confident86Confident144 Ų14480.5 Ų80.577%0.7750%0.498SS*.  trans-73.8108.7174.5-67.8-27.7000108.8G215N213-G215 PolarHBondContact O-N 3.4Å; N213-G215 VanDerWaalsContact O-N 3.1Å
214A76.9Confident86.4Confident51 Ų5179 Ų7942%0.42148%0.478SS..  trans-78.919.2-177.100000114.4L212 L216 I220L212-A214 PolarHBondContact O-N 2.95Å; A214-L216 PolarHBondContact O-N 3.16Å; A214-I220 HydrophobicContact CB-CD1 3.59Å; A214-I220 HydrophobicContact CB-CG1 3.89Å
215G82.4Confident86.6Confident68 Ų6881.1 Ų81.170%0.70148%0.479SS*.SBendtrans71.6-112.8-171.400000112N213 G217N213-G215 PolarHBondContact O-N 3.4Å; N213-G215 VanDerWaalsContact O-N 3.1Å; G215-G217 PolarHBondContact O-N 2.99Å; G215-G217 VanDerWaalsContact O-N 3.14Å
216L75.9Confident86.5Confident197 Ų19783.6 Ų83.6100%1.03149%0.491SS*.SBendtrans-81.427.5-178.2-65.4173.7000113.7A214A214-L216 PolarHBondContact O-N 3.16Å
217G84.8Confident86.7Confident34 Ų3488.6 Ų88.635%0.35151%0.509SS..SBendtrans-131.5167.2-179.300000112.2G215G215-G217 PolarHBondContact O-N 2.99Å; G215-G217 VanDerWaalsContact O-N 3.14Å
218P86.4Confident86.6Confident78 Ų7894.6 Ų94.651%0.50653%0.529SS..PPolyproline II helixtrans-59.7149.9172.327-33.3000110.3I220 F333P218-I220 PolarHBondContact O-N 2.94Å; P218-F333 HydrophobicContact CB-CZ 4.13Å; P218-F333 HydrophobicContact CG-CE1 4.14Å; P218-F333 HydrophobicContact CG-CZ 3.89Å
219P88.2Confident86.2Confident79 Ų79101.9 Ų101.951%0.51355%0.551SS.*PPolyproline II helixtrans-56.2127.9176.821.1-31000110.7T211 P221T211-P219 HydrophobicContact CG2-CB 4.29Å; P219-P221 WeakPolarHBondContact O-CD 3.37Å
220I89.7Confident85.9Confident90 Ų90104.5 Ų104.546%0.46256%0.562SS.*EExtended strand (participates in β ladder)trans-86.2119179.6-63.1169.7000108.4T211 L212 A214 P218T211-I220 CarbonylContact C-O 3.52Å; T211-I220 VanDerWaalsContact CA-O 3.32Å; T211-I220 WeakPolarHBondContact CA-O 3.49Å; L212-I220 HydrophobicContact CB-CB 4.38Å; L212-I220 PolarHBondContact N-O 3.05Å; L212-I220 PolarHBondContact O-N 3.04Å; A214-I220 HydrophobicContact CB-CD1 3.59Å; A214-I220 HydrophobicContact CB-CG1 3.89Å; P218-I220 PolarHBondContact O-N 2.94Å
221P89.5Confident85.5Confident68 Ų68110.3 Ų110.344%0.44258%0.582SS.*EExtended strand (participates in β ladder)trans-66.6135.1174.927.9-33.8000111.2P219 F326P219-P221 WeakPolarHBondContact O-CD 3.37Å; P221-F326 HydrophobicContact CB-CD2 4.3Å; P221-F326 HydrophobicContact CB-CE2 3.52Å; P221-F326 HydrophobicContact CB-CZ 4.42Å; P221-F326 HydrophobicContact CG-CE2 3.54Å; P221-F326 HydrophobicContact CG-CZ 4.2Å
222A89.4Confident85.1Confident24 Ų24115.5 Ų115.520%0.19860%0.598CS.*EExtended strand (participates in β ladder)trans-141.4154.5-176.400000112.1T210 L212T210-A222 HydrophobicContact CG2-CB 3.99Å; T210-A222 PolarHBondContact N-O 3.39Å; T210-A222 PolarHBondContact O-N 3.07Å; L212-A222 HydrophobicContact CD1-CB 3.9Å; L212-A222 HydrophobicContact CG-CB 3.8Å
223I91Very high84.1Confident97 Ų97117.5 Ų117.550%0.49761%0.609SS.*EExtended strand (participates in β ladder)trans-114.7116.1174.6-55.4176.5000108.3A207 F209 L225A207-I223 HydrophobicContact CB-CG2 3.81Å; F209-I223 HydrophobicContact CD1-CD1 4.22Å; F209-I223 HydrophobicContact CD1-CG1 3.76Å; F209-I223 HydrophobicContact CE1-CD1 3.67Å; F209-I223 HydrophobicContact CE1-CG1 3.73Å; F209-I223 HydrophobicContact CZ-CD1 4.46Å; I223-L225 HydrophobicContact CG2-CD2 4.24Å
224V89.6Confident83.5Confident74 Ų74121.1 Ų121.145%0.44861%0.612SS.*EExtended strand (participates in β ladder)trans-93114.7176.1178.50000109.2A207 N208 T210A207-V224 WeakPolarHBondContact CA-O 3.35Å; N208-V224 PolarHBondContact N-O 2.98Å; N208-V224 PolarHBondContact O-N 3.27Å; T210-V224 HydrophobicContact CG2-CG2 3.56Å
225L91.8Very high82.9Confident87 Ų87128 Ų12846%0.45563%0.632SS.*EExtended strand (participates in β ladder)trans-88.9110.1173.6-61.5179.8000110.1V201 Y205 A207 I223V201-L225 HydrophobicContact CG1-CD2 4.39Å; Y205-L225 HydrophobicContact CD1-CB 4.06Å; A207-L225 HydrophobicContact CB-CD2 3.78Å; I223-L225 HydrophobicContact CG2-CD2 4.24Å
226K90Very high81.7Confident142 Ų142131.9 Ų131.962%0.61764%0.636SS**EExtended strand (participates in β ladder)trans-99.6120.7174-173.7174.6-177.2173.40110.2Y205 S206 K228Y205-K226 CarbonylContact C-O 3.59Å; Y205-K226 WeakPolarHBondContact CA-O 3.38Å; S206-K226 PolarHBondContact N-O 3.11Å; S206-K226 PolarHBondContact O-N 3.33Å; S206-K226 PolarHBondContact OG-O 3.43Å; K226-K228 PolarHBondContact O-N 3.17Å
227K91.2Very high80.6Confident140 Ų140131.8 Ų131.861%0.60963%0.627SS**EExtended strand (participates in β ladder)trans-67.9119.6176.3-167.8171.2-175.7171.10110.4G204 Y205 R229G204-K227 CarbonylContact O-C 3.57Å; Y205-K227 HydrophobicContact CD1-CB 3.95Å; Y205-K227 HydrophobicContact CD1-CG 4.46Å; Y205-K227 HydrophobicContact CE1-CB 3.66Å; Y205-K227 HydrophobicContact CE1-CD 4.31Å; Y205-K227 HydrophobicContact CE1-CG 4Å; K227-R229 PolarHBondContact O-N 3.35Å
228K85.2Confident78.8Confident153 Ų153133.4 Ų133.467%0.66564%0.644SS**  trans-68.499.8168.8-77.5-172.4169.5179.10108.7G204 K226 K230G204-K228 WeakPolarHBondContact O-CB 3.48Å; G204-K228 PolarHBondContact O-N 3.41Å; K226-K228 PolarHBondContact O-N 3.17Å; K228-K230 PolarHBondContact O-N 3.41Å
229R79.8Confident77.1Confident235 Ų235137.6 Ų137.689%0.88766%0.661SS**  trans-67.7117.7167.6-68.9-176.4176.2-179.8-1108.1K227 K231K227-R229 PolarHBondContact O-N 3.35Å; R229-K231 PolarHBondContact O-N 3.22Å
230K79.5Confident74.9Confident194 Ų194138.6 Ų138.684%0.84367%0.67SS**  trans-58.7108.4170.3-175.1175.9-178.6175.20107.4K228 K232K228-K230 PolarHBondContact O-N 3.41Å; K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 3.48Å
231K80.9Confident72.6Confident182 Ų182142.3 Ų142.379%0.79169%0.69SS**  trans-57.999.7171.9-174.5175.6-179.2177.30106.7R229 N233R229-K231 PolarHBondContact O-N 3.22Å; K231-N233 PolarHBondContact O-N 3.37Å
232K76.5Confident70.3Confident191 Ų191144.5 Ų144.583%0.8370%0.702SS**  trans-62.3114.3166.8-71.7-177.3179.7178.50104.2K230 R234K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 3.48Å; K232-R234 PolarHBondContact O-N 3.41Å
233N63.1Low68.1Low139 Ų139151.5 Ų151.574%0.74373%0.731SS**  trans-59.194.8166.1-78-26.9000105.8K231 K235K231-N233 PolarHBondContact O-N 3.37Å; N233-K235 PolarHBondContact O-N 3.44Å
234R72.5Confident66.1Low221 Ų221155.4 Ų155.483%0.83475%0.751SS**  trans-60.297.2163.1-174.1174.7177.4176.9-1.6102.9K232 L236K232-R234 PolarHBondContact O-N 3.41Å; R234-L236 PolarHBondContact O-N 2.97Å
235K64.5Low64.2Low195 Ų195159.9 Ų159.985%0.84876%0.764SS**  trans-57.695.4164.7-71-172.4176.3-175.20103.9N233 K237N233-K235 PolarHBondContact O-N 3.44Å; K235-K237 PolarHBondContact O-N 3.1Å
236L56.3Low62Low149 Ų149162.7 Ų162.778%0.7878%0.78SS**  trans-57.996.2159-84.5159.7000103.8R234 G238R234-L236 PolarHBondContact O-N 2.97Å; L236-G238 VanDerWaalsContact C-N 3.26Å; L236-G238 PolarHBondContact O-N 2.87Å
237K53.4Low60.1Low195 Ų195163.8 Ų163.885%0.84879%0.792SS**  trans-55.5107.4152-95174.4171178.80103.8K235 L239K235-K237 PolarHBondContact O-N 3.1Å; K237-L239 PolarHBondContact O-N 3.46Å
238G47.1Very low58.3Low68 Ų68165.6 Ų165.670%0.70180%0.803SS**  trans-53.2109.517700000108.5L236L236-G238 VanDerWaalsContact C-N 3.26Å; L236-G238 PolarHBondContact O-N 2.87Å
239L49.3Very low56.9Low167 Ų167165.9 Ų165.987%0.87481%0.812SS**  trans-96.788.3147.2-66.2177.6000103.6K237 L241K237-L239 PolarHBondContact O-N 3.46Å; L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.34Å
240S42.3Very low55.6Low100 Ų100162.4 Ų162.470%0.69981%0.811SS**  trans-61.198.5161.3470000106.7T242S240-T242 PolarHBondContact O-N 3.5Å; S240-T242 VanDerWaalsContact O-N 3.09Å
241L41.8Very low54.1Low168 Ų168164.7 Ų164.788%0.8881%0.814SS**  trans-77.675.5167.1-174.779.6000107.8L239L239-L241 VanDerWaalsContact C-N 3.27Å; L239-L241 PolarHBondContact O-N 3.34Å
242T40.7Very low52.5Low113 Ų113164.5 Ų164.569%0.69382%0.821SS**  trans-156.2135.5165.3450000107.7S240S240-T242 PolarHBondContact O-N 3.5Å; S240-T242 VanDerWaalsContact O-N 3.09Å
243E44.7Very low51.1Low172 Ų172158.9 Ų158.980%0.80481%0.81SS**  trans8462.6-176.7-58.9-177.7151.400115.6
244I48.1Very low50.2Low178 Ų178160 Ų16091%0.91382%0.815SS**  trans-94.789134.5-58.7172.3000103.9
245K50.8Low48.9Very low168 Ų168156.6 Ų156.673%0.7381%0.813SS**  trans-101.8138.2167.9-143.2178.2-174179.10106.1D247K245-D247 PolarHBondContact O-N 2.85Å
246D45.5Very low48Very low147 Ų147154.7 Ų154.779%0.78681%0.812SS**  trans-45.6125.6-178.1-51.4-72.7000112.4
247D49.4Very low47.2Very low164 Ų164151.1 Ų151.188%0.87781%0.811SS**  trans-149.973.8156.3-88.2-37.5000107.2K245 D249K245-D247 PolarHBondContact O-N 2.85Å; D247-D249 PolarHBondContact O-N 3.03Å
248E53.3Low46.8Very low178 Ų178149 Ų14983%0.83281%0.809SS**  trans-78.196.8157.1-77.4-82.8133.900106.6
249D55.9Low46.5Very low160 Ų160153.3 Ų153.386%0.85682%0.816SS**  trans-167.8-6.1159.3-95.9-28.5000117.5D247D247-D249 PolarHBondContact O-N 3.03Å
250D52.5Low46.1Very low162 Ų162150 Ų15087%0.86681%0.812SS**  trans-114.643-172.3-90.7-23.4000116.1
251R46.9Very low46.1Very low242 Ų242156.2 Ų156.291%0.91382%0.82SS**SBendtrans-95.714.9175.3-67.7-168.288.1171.66.5116.1
252L47.6Very low46.2Very low178 Ų178154.3 Ų154.393%0.93282%0.816SS**SBendtrans-136.543.5-176.9-73.5174.4000115.1
253A47.8Very low46.4Very low72 Ų72155.8 Ų155.860%0.59582%0.82SS**SBendtrans-142.4112.8171.500000111.8
254L44.9Very low46.4Very low164 Ų164156.6 Ų156.686%0.85982%0.823SS**  trans7575.4146.9-47.4164.1000114.4
255L44.7Very low46Very low149 Ų149152.8 Ų152.878%0.7882%0.818SS**  21.6112.678.1-86.9165.8000114.3
256N44.7Very low45.7Very low155 Ų155150.7 Ų150.783%0.82983%0.825SS**  trans79.1130.8155.5-53.7-31.4000118.2
257G39.3Very low45.4Very low74 Ų74148.1 Ų148.176%0.76382%0.818SS**  trans141.1102143.700000115.2
258N44.8Very low45.1Very low150 Ų150146 Ų14680%0.80282%0.815SS**  trans-72.5160.8178.9-53-18000113.5
259D40.8Very low44.3Very low159 Ų159141.3 Ų141.385%0.8581%0.814SS**  trans45123.1141.3-69.7-34.8000121.4
260A40.9Very low43.6Very low96 Ų96139.6 Ų139.679%0.79382%0.815SS**  179.2120.7120.500000114.4
261R43.9Very low42.9Very low232 Ų232138.1 Ų138.188%0.87581%0.812SS**  trans33.7129.7130-74-179.3163.8178.6-5.1122
262T42.9Very low42.7Very low127 Ų127130.3 Ų130.378%0.77981%0.807SS**  173.5112.7118.1150000108.2
263D44.3Very low42.4Very low145 Ų145129.7 Ų129.778%0.77580%0.804SS**  92.9143.977.4-80.5-18.9000114.9
264Q45.1Very low42Very low188 Ų188129.7 Ų129.788%0.87981%0.812SS**  trans99.1103.3167.6-48.4-138.933.300116
265A41Very low41.7Very low98 Ų98130.6 Ų130.681%0.8181%0.811SS**  cis94.6138.24500000114.4
266S42.9Very low41.5Very low124 Ų124127.9 Ų127.987%0.86781%0.805SS**  trans110138.4164.4-166.30000116.4
267S40.7Very low41.2Very low93 Ų93128 Ų12865%0.6581%0.805SS**  cis174.2147.1-24.1175.80000107.1
268C43.2Very low41.2Very low120 Ų120129.8 Ų129.881%0.81181%0.806SS**  trans53.1135.4156.7600000120.1
269G36.3Very low40.9Very low79 Ų79132.7 Ų132.781%0.81481%0.811SS**  cis113.811723.400000109.8
270S39.5Very low41.1Very low124 Ų124130.4 Ų130.487%0.86781%0.808SS**  trans-177.2136.8147.4-165.30000113.6
271T39.1Very low41Very low131 Ų131135.1 Ų135.180%0.80481%0.813SS**  trans-82.7160.6-179-24.30000112.7
272G43.3Very low41.1Very low78 Ų78132.5 Ų132.580%0.80481%0.813SS**  trans-177.396.1167.500000113.9
273D39.8Very low40.8Very low165 Ų165133.2 Ų133.288%0.88281%0.812SS**  trans-69.1155.5169.3-70.2-54.9000112.7
274G40.3Very low41Very low73 Ų73134.1 Ų134.175%0.75381%0.814SS**  trans176.671.7172.900000116.5
275Q39.5Very low40.6Very low182 Ų182132.7 Ų132.785%0.8581%0.81SS**  trans20.9134.8139.1-70.2-174.63.200122.1
276S38.7Very low40.3Very low92 Ų92130.8 Ų130.864%0.64380%0.801SS**  94.7114.4124.4-74.70000122.3
277L38.9Very low40.2Very low157 Ų157132 Ų13282%0.82280%0.802SS**  91.6131.6125.2-64.6171.8000121.8
278S39.4Very low40Very low113 Ų113135.2 Ų135.279%0.7981%0.807SS**  trans106.4117.1137-65.60000119.9
279K39.5Very low39.6Very low210 Ų210137.5 Ų137.591%0.91381%0.806SS**  trans-62.2142161.1-69.4169.7169.2178.50111
280S44.6Very low39.7Very low111 Ų111143.1 Ų143.178%0.77681%0.811SS**  trans-157.3125.5142.560.90000111.3
281E38.9Very low39.5Very low195 Ų195145.9 Ų145.991%0.91181%0.81SS**  trans-61.8137.4165.5-173.7175.3149.500110.4
282M45.5Very low39.4Very low177 Ų177147.5 Ų147.587%0.87281%0.814SS**  trans-142.5110.6171.9-128.7171.2176.700109.6
283D35.6Very low39Very low143 Ų143149 Ų14977%0.76581%0.811SS**  trans-72.8136.9167-1649.4000109.2
284M49.1Very low38.9Very low163 Ų163147.8 Ų147.880%0.80381%0.809SS**  trans-144.697175.7-83-81.4-75.500109.8
285I37.4Very low38.7Very low158 Ų158153.5 Ų153.581%0.8182%0.816SS**  trans-84.3132.6157.8-68.9173.2000108.4
286G33.5Very low38.8Very low59 Ų59150.8 Ų150.861%0.60881%0.812SS**  trans99.2115150.600000116.2
287V41.1Very low38.7Very low148 Ų148153.8 Ų153.890%0.89782%0.821SS**  trans-153.2129131.7175.20000108.3
288Q36Very low38.6Very low161 Ų161154.1 Ų154.175%0.75282%0.818SS**  trans-98.4159174170.9154.13.300109.9
289E36.8Very low38.4Very low169 Ų169156.2 Ų156.279%0.7982%0.821SS**  trans71.6112.9161.2-92.6177.213000119.3
290Q37.5Very low38.2Very low197 Ų197149.8 Ų149.892%0.92181%0.814SS**  -163.9126.9115.4-121170.31.700112.2
291Q35.5Very low37.8Very low181 Ų181150.7 Ų150.785%0.84682%0.815SS**  trans-69.8143.5163.5-74.4165.3-24.400109.8
292D37.2Very low37.9Very low166 Ų166149.1 Ų149.189%0.88881%0.812SS**  trans-153.2140.3140.5-135.2-14000112.1
293C33.7Very low37.6Very low110 Ų110151.1 Ų151.174%0.74382%0.816SS**  trans-94145.9-166.6-57.40000112.5
294V38.6Very low37.7Very low139 Ų139147.6 Ų147.684%0.84281%0.813SS**  trans-145104.5152.3-177.70000110.3V296V294-V296 HydrophobicContact CG1-CG2 4.07Å
295E36.9Very low37.4Very low192 Ų192146.9 Ų146.990%0.89782%0.818SS**  trans-80.9130.6157.7-81.5-178.7134.400109.5
296V39.9Very low37.7Very low126 Ų126143.4 Ų143.476%0.76481%0.812SS**  trans-141103.6155.7179.10000110.6V294V294-V296 HydrophobicContact CG1-CG2 4.07Å
297N37.2Very low38.2Very low154 Ų154148.9 Ų148.982%0.82483%0.828SS**  trans35.8135.2138.4-71.9-34.1000124
298Q37.4Very low38.1Very low165 Ų165146.4 Ų146.477%0.77182%0.823SS**  trans-60.7161.4175.3-58.1166.916.100116.5
299N34.9Very low38.3Very low157 Ų157144.7 Ų144.784%0.8483%0.829SS**  trans99.7112.1151.9-58-28000118.5
300G35.4Very low38.5Very low75 Ų75142.1 Ų142.177%0.77383%0.829SS**  trans159.678161.600000117.6
301T36.6Very low39Very low130 Ų130137.2 Ų137.280%0.79882%0.816SS**  trans19.6116.5139.3-48.40000121.8
302L39.4Very low40.6Very low162 Ų162134.2 Ų134.285%0.84881%0.812SS**  trans38.1113.4141-69.3161.3000121.4
303K39.7Very low42.4Very low219 Ų219133.6 Ų133.695%0.95281%0.808SS**  177.3136.1128.2-118.7174.8172.1178.90114.5
304G38.3Very low44.7Very low69 Ų69132 Ų13271%0.71179%0.792SS**  trans86.8101.8155.200000115.2
305V43.4Very low46.8Very low148 Ų148129.2 Ų129.290%0.89778%0.776SS**  61.4112.768.7-171.90000113.5
306A43Very low48.9Very low84 Ų84125.8 Ų125.869%0.69476%0.76SS**  trans79.971.7158.700000119.5
307D43.9Very low51Low175 Ų175123.1 Ų123.194%0.93675%0.751SS**  trans-137.566.3144.1-87.8-33.3000108.4
308A39.9Very low53.4Low96 Ų96120 Ų12079%0.79373%0.731SS**  trans-97.795.3179.500000110
309S38.8Very low55.6Low125 Ų125118.6 Ų118.687%0.87472%0.719SS**  trans172.932148.349.50000114.8
310S40.8Very low58.2Low114 Ų114118.4 Ų118.480%0.79771%0.706SS**  trans-110.2105.2161.3-169.80000108.1
311C48.6Very low60.7Low95 Ų95121.1 Ų121.164%0.64270%0.699SS**PPolyproline II helixtrans-59.6131.4173.5-66.30000108.7D313C311-D313 PolarHBondContact O-N 2.99Å
312P68.2Low63.1Low118 Ų118119.2 Ų119.277%0.76668%0.684SS**PPolyproline II helixtrans-62.6124.7173.925.3-31.4000108.8L314P312-L314 PolarHBondContact O-N 3.25Å; P312-L314 VanDerWaalsContact O-N 3.16Å
313D75.6Confident65.4Low152 Ų152114.3 Ų114.381%0.81366%0.658SS**PPolyproline II helixtrans-59.4118.8174.6-80.4-32.5000109C311 T315C311-D313 PolarHBondContact O-N 2.99Å; D313-T315 PolarHBondContact O-N 3.32Å
314L81.2Confident67.7Low77 Ų77108.7 Ų108.740%0.40364%0.638SS.*PPolyproline II helixtrans-64.3131174.4-70.2167000109.2P312 Q318 R319 L322P312-L314 PolarHBondContact O-N 3.25Å; P312-L314 VanDerWaalsContact O-N 3.16Å; L314-Q318 HydrophobicContact CB-CB 4.31Å; L314-Q318 HydrophobicContact CD2-CB 4.1Å; L314-R319 HydrophobicContact CB-CG 3.94Å; L314-R319 PolarHBondContact O-NE 3.39Å; L314-R319 PolarHBondContact O-NH2 3.09Å; L314-L322 HydrophobicContact CD1-CD1 3.8Å
315T82.9Confident70Confident81 Ų81110.5 Ų110.550%0.49763%0.628SS.*PPolyproline II helixtrans-57.1151.4171.157.50000110.1D313 A317 Q318 R319D313-T315 PolarHBondContact O-N 3.32Å; T315-A317 PolarHBondContact O-N 3.15Å; T315-Q318 VanDerWaalsContact N-OE1 3.12Å; T315-Q318 PolarHBondContact O-N 3.24Å; T315-Q318 VanDerWaalsContact OG1-CD 3.27Å; T315-Q318 VanDerWaalsContact OG1-CG 3.26Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 3.08Å; T315-Q318 PolarHBondContact OG1-OE1 3.49Å; T315-R319 PolarHBondContact O-N 3.12Å
316E82.2Confident71.8Confident120 Ų120107 Ų10756%0.56160%0.601SS**Hα-helixtrans-57.3-33.7-179.9-169.8-179.5174.500112R319 R320E316-R319 PolarHBondContact O-N 3.26Å; E316-R320 WeakPolarHBondContact O-CG 3.38Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 IonicContact OE1-CZ 3.19Å; E316-R320 IonicContact OE1-NE 3.75Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 IonicContact OE1-NH2 2.67Å; E316-R320 PolarHBondContact OE1-NH2 3.5Å
317A83.8Confident73.7Confident70 Ų70105 Ų10558%0.57958%0.579SS**Hα-helixtrans-63.2-45174.100000112.5T315 R319 R320 Q321T315-A317 PolarHBondContact O-N 3.15Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.94Å; A317-R320 PolarHBondContact O-N 3.41Å; A317-Q321 PolarHBondContact O-N 2.99Å
318Q87.9Confident75.4Confident88 Ų8899.5 Ų99.541%0.41156%0.557SS.*Hα-helixtrans-65.5-37.4175.7-74.5167.5-33.400111.9L314 T315 Q321 L322L314-Q318 HydrophobicContact CB-CB 4.31Å; L314-Q318 HydrophobicContact CD2-CB 4.1Å; T315-Q318 VanDerWaalsContact N-OE1 3.12Å; T315-Q318 PolarHBondContact O-N 3.24Å; T315-Q318 VanDerWaalsContact OG1-CD 3.27Å; T315-Q318 VanDerWaalsContact OG1-CG 3.26Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.43Å; T315-Q318 PolarHBondContact OG1-N 3.08Å; T315-Q318 PolarHBondContact OG1-OE1 3.49Å; Q318-Q321 PolarHBondContact O-N 2.92Å; Q318-L322 WeakPolarHBondContact O-CG 3.5Å; Q318-L322 PolarHBondContact O-N 3.36Å
319R84.1Confident77.2Confident136 Ų136100 Ų10051%0.51354%0.543SS..Hα-helixtrans-62.9-43.3173.7-80.9-175-107.6-169.2-7.1112.1L314 T315 E316 A317 L323L314-R319 HydrophobicContact CB-CG 3.94Å; L314-R319 PolarHBondContact O-NE 3.39Å; L314-R319 PolarHBondContact O-NH2 3.09Å; T315-R319 PolarHBondContact O-N 3.12Å; E316-R319 PolarHBondContact O-N 3.26Å; A317-R319 VanDerWaalsContact C-N 3.34Å; A317-R319 PolarHBondContact O-N 2.94Å; R319-L323 PolarHBondContact O-N 3.16Å
320R87.6Confident78.7Confident152 Ų15298.3 Ų98.357%0.57452%0.522SS*.Hα-helixtrans-63-45.4175.8-76.2178.1178.6153.51.9111.7E316 A317 L322 L323 D324E316-R320 WeakPolarHBondContact O-CG 3.38Å; E316-R320 PolarHBondContact O-N 3.35Å; E316-R320 IonicContact OE1-CZ 3.19Å; E316-R320 IonicContact OE1-NE 3.75Å; E316-R320 IonicContact OE1-NH1 3.77Å; E316-R320 IonicContact OE1-NH2 2.67Å; E316-R320 PolarHBondContact OE1-NH2 3.5Å; A317-R320 PolarHBondContact O-N 3.41Å; R320-L322 PolarHBondContact O-N 3.27Å; R320-L323 WeakPolarHBondContact O-CB 3.49Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.14Å; R320-D324 PolarHBondContact O-N 3.39Å
321Q89.5Confident80Confident132 Ų13299.1 Ų99.162%0.61751%0.514SS*.Hα-helixtrans-60-44178.1-173.8178.5-6.100112.5A317 Q318 L323 D324 E325A317-Q321 PolarHBondContact O-N 2.99Å; Q318-Q321 PolarHBondContact O-N 2.92Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.1Å; Q321-D324 PolarHBondContact O-N 2.99Å; Q321-E325 WeakPolarHBondContact O-CB 3.46Å; Q321-E325 PolarHBondContact O-N 3.26Å
322L87.1Confident80.7Confident91 Ų9199.4 Ų99.448%0.47651%0.505SS..Hα-helixtrans-65.5-35.3176-73168.7000112.4L314 Q318 R320 F326L314-L322 HydrophobicContact CD1-CD1 3.8Å; Q318-L322 WeakPolarHBondContact O-CG 3.5Å; Q318-L322 PolarHBondContact O-N 3.36Å; R320-L322 PolarHBondContact O-N 3.27Å; L322-F326 VanDerWaalsContact O-CB 3.23Å; L322-F326 WeakPolarHBondContact O-CB 3.37Å; L322-F326 PolarHBondContact O-N 3.45Å
323L88Confident80.3Confident59 Ų5998.9 Ų98.931%0.30949%0.491SS..Hα-helixtrans-66.8-40.9175-125.775.8000111.8R319 R320 Q321 F326 N327R319-L323 PolarHBondContact O-N 3.16Å; R320-L323 WeakPolarHBondContact O-CB 3.49Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.14Å; Q321-L323 VanDerWaalsContact C-N 3.32Å; Q321-L323 PolarHBondContact O-N 3.1Å; L323-F326 PolarHBondContact O-N 2.93Å; L323-N327 WeakPolarHBondContact O-CB 3.44Å; L323-N327 PolarHBondContact O-N 3.21Å; L323-N327 PolarHBondContact O-ND2 3.23Å; L323-N327 VanDerWaalsContact O-ND2 3.07Å
324D87Confident79.4Confident100 Ų10098.8 Ų98.854%0.53549%0.486SS..Hα-helixtrans-67.5-41.4178.4-68.2-22000111R320 Q321 N327 A328R320-D324 PolarHBondContact O-N 3.39Å; Q321-D324 PolarHBondContact O-N 2.99Å; D324-N327 PolarHBondContact O-N 2.89Å; D324-A328 WeakPolarHBondContact O-CB 3.48Å; D324-A328 PolarHBondContact O-N 3.35Å
325E86.1Confident77.9Confident108 Ų108102.3 Ų102.351%0.50550%0.502SS..Hα-helixtrans-65.1-38.7174.5-169.1169.8-169.700112Q321 A328 Q329Q321-E325 WeakPolarHBondContact O-CB 3.46Å; Q321-E325 PolarHBondContact O-N 3.26Å; E325-A328 PolarHBondContact O-N 3.41Å; E325-Q329 WeakPolarHBondContact O-CG 3.3Å; E325-Q329 PolarHBondContact O-N 3.25Å; E325-Q329 VanDerWaalsContact O-N 3.08Å
326F81.6Confident76.6Confident74 Ų74104.6 Ų104.633%0.32551%0.507SS..Hα-helixtrans-62.4-46.6173.9179.2-95.3000112.4P221 L322 L323 A328 Q329 M330P221-F326 HydrophobicContact CB-CD2 4.3Å; P221-F326 HydrophobicContact CB-CE2 3.52Å; P221-F326 HydrophobicContact CB-CZ 4.42Å; P221-F326 HydrophobicContact CG-CE2 3.54Å; P221-F326 HydrophobicContact CG-CZ 4.2Å; L322-F326 VanDerWaalsContact O-CB 3.23Å; L322-F326 WeakPolarHBondContact O-CB 3.37Å; L322-F326 PolarHBondContact O-N 3.45Å; L323-F326 PolarHBondContact O-N 2.93Å; F326-A328 VanDerWaalsContact C-N 3.33Å; F326-A328 PolarHBondContact O-N 3.05Å; F326-Q329 PolarHBondContact O-N 3.07Å; F326-M330 HydrophobicContact CD1-CG 4.28Å; F326-M330 HydrophobicContact CE1-CG 3.78Å; F326-M330 HydrophobicContact CZ-CG 3.94Å; F326-M330 HydrophobicContact CZ-SD 4.32Å; F326-M330 PolarHBondContact O-N 3Å
327N83.2Confident75.4Confident43 Ų43100.9 Ų100.923%0.2350%0.495CS..Hα-helixtrans-64-39.8178.7-70-32.4000111.5L323 D324 Q329 M330 E331L323-N327 WeakPolarHBondContact O-CB 3.44Å; L323-N327 PolarHBondContact O-N 3.21Å; L323-N327 PolarHBondContact O-ND2 3.23Å; L323-N327 VanDerWaalsContact O-ND2 3.07Å; D324-N327 PolarHBondContact O-N 2.89Å; N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 3.34Å; N327-M330 PolarHBondContact O-N 3.14Å; N327-E331 PolarHBondContact O-N 3.44Å
328A80.3Confident74.1Confident58 Ų58101.8 Ų101.848%0.47949%0.489SS..Hα-helixtrans-62.9-37.1175.500000112.6D324 E325 F326 H332D324-A328 WeakPolarHBondContact O-CB 3.48Å; D324-A328 PolarHBondContact O-N 3.35Å; E325-A328 PolarHBondContact O-N 3.41Å; F326-A328 VanDerWaalsContact C-N 3.33Å; F326-A328 PolarHBondContact O-N 3.05Å; A328-H332 PolarHBondContact O-N 3.16Å
329Q76.4Confident73.1Confident108 Ų108102 Ų10251%0.50550%0.499SS..Hα-helixtrans-67.9-41.6173.8-73.4-177.54.600111.9E325 F326 N327 E331 H332 F333E325-Q329 WeakPolarHBondContact O-CG 3.3Å; E325-Q329 PolarHBondContact O-N 3.25Å; E325-Q329 VanDerWaalsContact O-N 3.08Å; F326-Q329 PolarHBondContact O-N 3.07Å; N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 3.34Å; Q329-E331 PolarHBondContact O-N 3.14Å; Q329-H332 WeakPolarHBondContact O-CB 3.43Å; Q329-H332 PolarHBondContact O-N 3.47Å; Q329-H332 VanDerWaalsContact O-N 3.15Å; Q329-F333 VanDerWaalsContact O-CD2 3.3Å; Q329-F333 WeakPolarHBondContact O-CD2 3.23Å; Q329-F333 PolarHBondContact O-N 2.85Å
330M71.3Confident72.3Confident88 Ų8899.6 Ų99.643%0.43350%0.499SS..Hα-helixtrans-61.7-42176.5-77-62.4-54.800112.3F326 N327 H332 F333 E334F326-M330 HydrophobicContact CD1-CG 4.28Å; F326-M330 HydrophobicContact CE1-CG 3.78Å; F326-M330 HydrophobicContact CZ-CG 3.94Å; F326-M330 HydrophobicContact CZ-SD 4.32Å; F326-M330 PolarHBondContact O-N 3Å; N327-M330 PolarHBondContact O-N 3.14Å; M330-H332 VanDerWaalsContact C-N 3.25Å; M330-H332 PolarHBondContact O-N 3.16Å; M330-F333 PolarHBondContact O-N 3.5Å; M330-F333 VanDerWaalsContact O-N 3.16Å; M330-E334 PolarHBondContact O-N 3.16Å
331E67.6Low71.3Confident132 Ų13296 Ų9662%0.61749%0.494SS*.Hα-helixtrans-60.2-36.5173.9-75.5-175.9174.300111.9N327 Q329 M335N327-E331 PolarHBondContact O-N 3.44Å; Q329-E331 PolarHBondContact O-N 3.14Å; E331-M335 WeakPolarHBondContact O-CG 3.4Å; E331-M335 PolarHBondContact O-N 3.15Å; E331-M335 VanDerWaalsContact O-N 3.1Å
332H64.1Low70.2Confident100 Ų10095 Ų9546%0.46349%0.489SS..Hα-helixtrans-70.1-36.9175.7-170.1-86.4000112.6A328 Q329 M330 M335 Q336A328-H332 PolarHBondContact O-N 3.16Å; Q329-H332 WeakPolarHBondContact O-CB 3.43Å; Q329-H332 PolarHBondContact O-N 3.47Å; Q329-H332 VanDerWaalsContact O-N 3.15Å; M330-H332 VanDerWaalsContact C-N 3.25Å; M330-H332 PolarHBondContact O-N 3.16Å; H332-M335 PolarHBondContact O-N 2.78Å; H332-Q336 PolarHBondContact CE1-NE2 3.49Å; H332-Q336 PolarHBondContact O-N 3.29Å; H332-Q336 VanDerWaalsContact O-N 3.12Å
333F58.2Low69.3Low107 Ų10795.9 Ų95.947%0.46949%0.491SS..Hα-helixtrans-68.2-38.6174.5-88.4-76.5000112.5P218 Q329 M330 M335 Q336 S337P218-F333 HydrophobicContact CB-CZ 4.13Å; P218-F333 HydrophobicContact CG-CE1 4.14Å; P218-F333 HydrophobicContact CG-CZ 3.89Å; Q329-F333 VanDerWaalsContact O-CD2 3.3Å; Q329-F333 WeakPolarHBondContact O-CD2 3.23Å; Q329-F333 PolarHBondContact O-N 2.85Å; M330-F333 PolarHBondContact O-N 3.5Å; M330-F333 VanDerWaalsContact O-N 3.16Å; F333-M335 VanDerWaalsContact C-N 3.32Å; F333-Q336 CarbonylContact O-C 3.58Å; F333-Q336 PolarHBondContact O-N 2.84Å; F333-Q336 VanDerWaalsContact O-N 3.16Å; F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 VanDerWaalsContact O-N 3.16Å
334E57.9Low68.2Low151 Ų15196.2 Ų96.271%0.70650%0.495SS*.Hα-helixtrans-67.7-35177.2-161.7168.6-170.100111.3M330 Q336 S337M330-E334 PolarHBondContact O-N 3.16Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 2.76Å; E334-S337 PolarHBondContact O-OG 3.45Å
335M48.8Very low67.2Low150 Ų15096.1 Ų96.174%0.73949%0.494SS*.Hα-helixtrans-71.6-21.3171.4-75.5-169.6-73.500114.3E331 H332 F333E331-M335 WeakPolarHBondContact O-CG 3.4Å; E331-M335 PolarHBondContact O-N 3.15Å; E331-M335 VanDerWaalsContact O-N 3.1Å; H332-M335 PolarHBondContact O-N 2.78Å; F333-M335 VanDerWaalsContact C-N 3.32Å
336Q55.7Low66.2Low129 Ų12997.3 Ų97.360%0.60350%0.5SS*.THydrogen-bonded Turntrans-99.89.2178-75.2-166.8-15.200114.1H332 F333 E334 N338H332-Q336 PolarHBondContact CE1-NE2 3.49Å; H332-Q336 PolarHBondContact O-N 3.29Å; H332-Q336 VanDerWaalsContact O-N 3.12Å; F333-Q336 CarbonylContact O-C 3.58Å; F333-Q336 PolarHBondContact O-N 2.84Å; F333-Q336 VanDerWaalsContact O-N 3.16Å; E334-Q336 VanDerWaalsContact C-N 3.32Å; E334-Q336 PolarHBondContact O-N 2.76Å; Q336-N338 PolarHBondContact O-N 2.85Å; Q336-N338 VanDerWaalsContact O-N 3.14Å
337S57Low65.4Low43 Ų4399.7 Ų99.730%0.30151%0.512SS..  trans-54.4125.5175.7680000109.9F333 E334 Q342F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 VanDerWaalsContact O-N 3.16Å; E334-S337 PolarHBondContact O-OG 3.45Å; S337-Q342 WeakPolarHBondContact OG-CG 3.29Å; S337-Q342 PolarHBondContact OG-NE2 2.91Å
338N56.5Low64.3Low88 Ų88101.9 Ų101.947%0.47152%0.523SS..  trans-51.3128.2-176.8-178.4-21000109.5Q336 V340 V341 Q342Q336-N338 PolarHBondContact O-N 2.85Å; Q336-N338 VanDerWaalsContact O-N 3.14Å; N338-V340 PolarHBondContact O-N 3.47Å; N338-V340 WeakPolarHBondContact OD1-CB 3.41Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.32Å; N338-V340 PolarHBondContact OD1-N 3.46Å; N338-V341 HydrophobicContact CB-CB 4.47Å; N338-V341 HydrophobicContact CB-CG2 4.06Å; N338-V341 WeakPolarHBondContact O-CB 3.22Å; N338-V341 PolarHBondContact O-N 2.77Å; N338-Q342 PolarHBondContact O-N 3.36Å; N338-Q342 VanDerWaalsContact O-N 3.15Å
339P67.9Low63.5Low94 Ų94105.2 Ų105.261%0.6153%0.532SS*.Hα-helixtrans-54.3-28.2-179.921.6-34000112.3Q342 Q343P339-Q342 PolarHBondContact O-N 3.31Å; P339-Q343 VanDerWaalsContact O-CB 3.24Å; P339-Q343 WeakPolarHBondContact O-CB 3.47Å; P339-Q343 PolarHBondContact O-N 3.02Å
340V66.6Low62.8Low84 Ų84105.2 Ų105.251%0.50954%0.54SS..Hα-helixtrans-64.8-41.4174.3-178.40000111.7N338 Q343 T344N338-V340 PolarHBondContact O-N 3.47Å; N338-V340 WeakPolarHBondContact OD1-CB 3.41Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.32Å; N338-V340 PolarHBondContact OD1-N 3.46Å; V340-Q343 PolarHBondContact O-N 3.39Å; V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 PolarHBondContact O-OG1 3.19Å
341V65.8Low61.8Low78 Ų78105.8 Ų105.847%0.47354%0.544SS..Hα-helixtrans-69.6-39.7178.1176.60000110.6N338 Q343 T344 L345N338-V341 HydrophobicContact CB-CB 4.47Å; N338-V341 HydrophobicContact CB-CG2 4.06Å; N338-V341 WeakPolarHBondContact O-CB 3.22Å; N338-V341 PolarHBondContact O-N 2.77Å; V341-Q343 VanDerWaalsContact C-N 3.31Å; V341-Q343 PolarHBondContact O-N 3.35Å; V341-T344 PolarHBondContact O-N 3.42Å; V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 WeakPolarHBondContact O-CB 3.42Å; V341-L345 WeakPolarHBondContact O-CG 3.21Å; V341-L345 PolarHBondContact O-N 2.8Å
342Q66.9Low61.2Low109 Ų109107.5 Ų107.551%0.50955%0.552SS.*Hα-helixtrans-62.1-41.2172.2-70.4-168.8-7.800111.4S337 N338 P339 L345 Q346S337-Q342 WeakPolarHBondContact OG-CG 3.29Å; S337-Q342 PolarHBondContact OG-NE2 2.91Å; N338-Q342 PolarHBondContact O-N 3.36Å; N338-Q342 VanDerWaalsContact O-N 3.15Å; P339-Q342 PolarHBondContact O-N 3.31Å; Q342-L345 PolarHBondContact O-N 2.8Å; Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.31Å
343Q68.5Low60.7Low111 Ų111106.1 Ų106.152%0.51957%0.565SS.*Hα-helixtrans-68.4-41.7178.8-163.4173.120.300111.9P339 V340 V341 Q346 E347P339-Q343 VanDerWaalsContact O-CB 3.24Å; P339-Q343 WeakPolarHBondContact O-CB 3.47Å; P339-Q343 PolarHBondContact O-N 3.02Å; V340-Q343 PolarHBondContact O-N 3.39Å; V341-Q343 VanDerWaalsContact C-N 3.31Å; V341-Q343 PolarHBondContact O-N 3.35Å; Q343-Q346 CarbonylContact O-C 3.47Å; Q343-Q346 PolarHBondContact O-N 2.74Å; Q343-E347 WeakPolarHBondContact O-CB 3.13Å; Q343-E347 WeakPolarHBondContact O-CG 3.48Å; Q343-E347 PolarHBondContact O-N 3.07Å
344T64.6Low60.5Low66 Ų66109.7 Ų109.741%0.40558%0.58SS.*Hα-helixtrans-65.8-40.9174.5-52.60000111.7V340 V341 Q346 E347 L348V340-T344 PolarHBondContact O-N 2.85Å; V340-T344 PolarHBondContact O-OG1 3.19Å; V341-T344 PolarHBondContact O-N 3.42Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.04Å; T344-E347 PolarHBondContact O-N 2.97Å; T344-L348 HydrophobicContact CG2-CD1 4.15Å; T344-L348 WeakPolarHBondContact O-CB 3.49Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.22Å
345L66.2Low60.1Low98 Ų98107.5 Ų107.551%0.51359%0.588SS.*Hα-helixtrans-63.1-39.6172.7-80.7165.3000111.3V341 Q342 L348 L349V341-L345 HydrophobicContact CG1-CD1 4.06Å; V341-L345 WeakPolarHBondContact O-CB 3.42Å; V341-L345 WeakPolarHBondContact O-CG 3.21Å; V341-L345 PolarHBondContact O-N 2.8Å; Q342-L345 PolarHBondContact O-N 2.8Å; L345-L348 PolarHBondContact O-N 3.23Å; L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 WeakPolarHBondContact O-CD1 3.48Å; L345-L349 PolarHBondContact O-N 3.43Å
346Q66.1Low59.7Low133 Ų133104.3 Ų104.362%0.62159%0.594SS**Hα-helixtrans-69.5-40.4178-165.1164.66200112Q342 Q343 T344 L348 L349 V350Q342-Q346 WeakPolarHBondContact O-CB 3.47Å; Q342-Q346 PolarHBondContact O-N 3.31Å; Q343-Q346 CarbonylContact O-C 3.47Å; Q343-Q346 PolarHBondContact O-N 2.74Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 3.04Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; Q346-L349 PolarHBondContact O-N 2.8Å; Q346-V350 HydrophobicContact CG-CG2 4.2Å; Q346-V350 WeakPolarHBondContact O-CB 3.36Å; Q346-V350 WeakPolarHBondContact O-CG2 3.18Å; Q346-V350 PolarHBondContact O-N 2.69Å
347E64.2Low59.4Low124 Ų124102 Ų10258%0.57960%0.597SS**Hα-helixtrans-62.6-41171.7-77.8178.6175.100111.4Q343 T344 L349 D351Q343-E347 WeakPolarHBondContact O-CB 3.13Å; Q343-E347 WeakPolarHBondContact O-CG 3.48Å; Q343-E347 PolarHBondContact O-N 3.07Å; T344-E347 PolarHBondContact O-N 2.97Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3Å; E347-D351 PolarHBondContact O-N 3.27Å
348L60.1Low59.2Low89 Ų89101.7 Ų101.747%0.46660%0.6SS.*Hα-helixtrans-67.3-23.2174.9-72170000113.5T344 L345 Q346 I359T344-L348 HydrophobicContact CG2-CD1 4.15Å; T344-L348 WeakPolarHBondContact O-CB 3.49Å; T344-L348 WeakPolarHBondContact O-CG 3.39Å; T344-L348 PolarHBondContact O-N 3.22Å; L345-L348 PolarHBondContact O-N 3.23Å; Q346-L348 VanDerWaalsContact C-N 3.35Å; L348-I359 HydrophobicContact CD2-CD1 3.85Å
349L63.2Low59.4Low127 Ų127103.5 Ų103.567%0.66561%0.608SS**Hα-helixtrans-92.3-31177.2-9778.3000113.5L345 Q346 E347L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 WeakPolarHBondContact O-CD1 3.48Å; L345-L349 PolarHBondContact O-N 3.43Å; Q346-L349 PolarHBondContact O-N 2.8Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3Å
350V61.2Low59.3Low109 Ų109105.3 Ų105.366%0.66160%0.603SS**Hα-helixtrans-79.6-21.9-176.2170.70000112.2Q346 E352Q346-V350 HydrophobicContact CG-CG2 4.2Å; Q346-V350 WeakPolarHBondContact O-CB 3.36Å; Q346-V350 WeakPolarHBondContact O-CG2 3.18Å; Q346-V350 PolarHBondContact O-N 2.69Å; V350-E352 PolarHBondContact O-N 2.86Å
351D51.6Low59.9Low99 Ų99103.6 Ų103.653%0.52960%0.595SS.*THydrogen-bonded Turntrans-80.86.5-174.6-138.415.2000114.9E347 G353E347-D351 PolarHBondContact O-N 3.27Å; D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 3.16Å
352E54.5Low60.5Low169 Ų169104.7 Ų104.779%0.7960%0.604SS**THydrogen-bonded Turntrans-76.5-10.6174.9-65.7-145145.400113.7V350V350-E352 PolarHBondContact O-N 2.86Å
353G53.3Low61.1Low70 Ų70109 Ų10972%0.72262%0.615SS**SBendtrans-99-12.4-168.300000117.8D351D351-G353 VanDerWaalsContact C-N 3.27Å; D351-G353 PolarHBondContact O-N 3.16Å
354K53Low61.6Low182 Ų182106.3 Ų106.379%0.79161%0.606SS**SBendtrans-138.7108.5-174-84.1179.8177.2175.20112.3
355A50.3Low62.4Low105 Ų105108.2 Ų108.287%0.86861%0.606SS**SBendtrans50.973.915800000116.3A357A355-A357 PolarHBondContact O-N 2.95Å
356G41.6Very low63.4Low84 Ų84105.8 Ų105.887%0.86660%0.6SS**SBendtrans66.646.9130.400000118.9
357A47.6Very low64.6Low81 Ų81104 Ų10467%0.66959%0.594SS**  trans-156.945.9159.600000112.6A355 I359A355-A357 PolarHBondContact O-N 2.95Å; A357-I359 PolarHBondContact O-N 3.24Å; A357-I359 VanDerWaalsContact O-N 3.13Å
358G53.5Low65.6Low35 Ų35100.6 Ų100.636%0.36158%0.58SS.*  trans-53.4122.9173.700000110.8R360 R365G358-R360 PolarHBondContact O-N 2.97Å; G358-R365 PolarHBondContact O-NH2 3.36Å
359I60Low67.1Low127 Ų127103.8 Ų103.865%0.65159%0.586SS**SBendtrans-53.6-16.2-175.8-62160.7000112.6L348 A357 S361L348-I359 HydrophobicContact CD2-CD1 3.85Å; A357-I359 PolarHBondContact O-N 3.24Å; A357-I359 VanDerWaalsContact O-N 3.13Å; I359-S361 PolarHBondContact O-N 2.81Å
360R66.6Low68.6Low131 Ų131103.9 Ų103.949%0.49458%0.583SS.*SBendtrans-71.9119.9174.2-64.7-174.2-175.8-153.81.7110.8G358 V364 R365 D368G358-R360 PolarHBondContact O-N 2.97Å; R360-V364 HydrophobicContact CB-CB 4.24Å; R360-V364 HydrophobicContact CB-CG1 4.08Å; R360-V364 HydrophobicContact CG-CG1 4.13Å; R360-R365 HydrophobicContact CB-CG 4.02Å; R360-R365 PolarHBondContact O-NE 3Å; R360-R365 PolarHBondContact O-NH2 3.28Å; R360-R365 VanDerWaalsContact O-NH2 3.11Å; R360-D368 IonicContact CZ-OD2 3.35Å; R360-D368 IonicContact NH1-OD1 2.76Å; R360-D368 IonicContact NH1-OD2 3.23Å; R360-D368 PolarHBondContact NH1-OD2 3.47Å
361S79.9Confident70Confident49 Ų49102.7 Ų102.734%0.34357%0.572SS.*  trans-52.6150.6173.578.90000110.9I359 R363 V364 R365I359-S361 PolarHBondContact O-N 2.81Å; S361-R363 PolarHBondContact O-N 2.75Å; S361-V364 PolarHBondContact O-N 2.83Å; S361-V364 WeakPolarHBondContact OG-CG2 3.47Å; S361-V364 PolarHBondContact OG-N 3.24Å; S361-R365 PolarHBondContact O-N 3.23Å; S361-R365 VanDerWaalsContact O-N 3.07Å
362P78.3Confident71.9Confident101 Ų101104.2 Ų104.266%0.65658%0.578SS**Hα-helixtrans-52-31.1177.5-28.435.3000113.4A366P362-A366 WeakPolarHBondContact O-CB 3.35Å; P362-A366 PolarHBondContact O-N 2.83Å
363R78.1Confident73.8Confident200 Ų200102.8 Ų102.876%0.75557%0.569SS**Hα-helixtrans-68.6-42.9176.1-170.6176.2-178.4174.40.5112.5S361 A366 L367S361-R363 PolarHBondContact O-N 2.75Å; R363-A366 WeakPolarHBondContact O-CB 3.39Å; R363-A366 PolarHBondContact O-N 3.01Å; R363-L367 PolarHBondContact O-N 2.82Å
364V79.7Confident75.6Confident53 Ų53103.3 Ų103.332%0.32155%0.553SS.*Hα-helixtrans-64.2-43.2175.7174.80000110.1R360 S361 A366 L367 D368R360-V364 HydrophobicContact CB-CB 4.24Å; R360-V364 HydrophobicContact CB-CG1 4.08Å; R360-V364 HydrophobicContact CG-CG1 4.13Å; S361-V364 PolarHBondContact O-N 2.83Å; S361-V364 WeakPolarHBondContact OG-CG2 3.47Å; S361-V364 PolarHBondContact OG-N 3.24Å; V364-A366 VanDerWaalsContact C-N 3.3Å; V364-A366 PolarHBondContact O-N 2.92Å; V364-L367 PolarHBondContact O-N 2.74Å; V364-L367 VanDerWaalsContact O-N 3.16Å; V364-D368 PolarHBondContact O-N 2.91Å
365R82.3Confident77.3Confident106 Ų10699.3 Ų99.340%0.454%0.538SS..Hα-helixtrans-61.7-36.2174.2-73.3-173.8-102.3178.8-9112.9G358 R360 S361 R369G358-R365 PolarHBondContact O-NH2 3.36Å; R360-R365 HydrophobicContact CB-CG 4.02Å; R360-R365 PolarHBondContact O-NE 3Å; R360-R365 PolarHBondContact O-NH2 3.28Å; R360-R365 VanDerWaalsContact O-NH2 3.11Å; S361-R365 PolarHBondContact O-N 3.23Å; S361-R365 VanDerWaalsContact O-N 3.07Å; R365-R369 WeakPolarHBondContact O-CB 3.35Å; R365-R369 VanDerWaalsContact O-CG 3.29Å; R365-R369 WeakPolarHBondContact O-CG 3.5Å; R365-R369 PolarHBondContact O-N 3.48Å; R365-R369 VanDerWaalsContact O-N 3.14Å; R365-R369 PolarHBondContact O-NE 3.29Å
366A87.3Confident79.2Confident48 Ų4899.9 Ų99.940%0.39752%0.523SS..Hα-helixtrans-66.9-41.8174.200000112.1P362 R363 V364 R369 Q370P362-A366 WeakPolarHBondContact O-CB 3.35Å; P362-A366 PolarHBondContact O-N 2.83Å; R363-A366 WeakPolarHBondContact O-CB 3.39Å; R363-A366 PolarHBondContact O-N 3.01Å; V364-A366 VanDerWaalsContact C-N 3.3Å; V364-A366 PolarHBondContact O-N 2.92Å; A366-R369 PolarHBondContact O-N 3.13Å; A366-Q370 PolarHBondContact O-N 2.94Å
367L89.7Confident81.6Confident95 Ų95103 Ų10350%0.49751%0.508SS..Hα-helixtrans-65.2-46.3176.7-172.669000111.7R363 V364 R369 Q370 I371R363-L367 PolarHBondContact O-N 2.82Å; V364-L367 PolarHBondContact O-N 2.74Å; V364-L367 VanDerWaalsContact O-N 3.16Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.4Å; L367-Q370 WeakPolarHBondContact O-CA 3.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.36Å; L367-Q370 PolarHBondContact O-N 2.82Å; L367-I371 HydrophobicContact CG-CD1 4.06Å; L367-I371 WeakPolarHBondContact O-CG1 3.24Å; L367-I371 PolarHBondContact O-N 3.36Å
368D85.7Confident83.4Confident53 Ų53104 Ų10428%0.28350%0.499SS..Hα-helixtrans-57.8-43176.3-75.7-23.7000111.2R360 V364 Q370 I371 M372R360-D368 IonicContact CZ-OD2 3.35Å; R360-D368 IonicContact NH1-OD1 2.76Å; R360-D368 IonicContact NH1-OD2 3.23Å; R360-D368 PolarHBondContact NH1-OD2 3.47Å; V364-D368 PolarHBondContact O-N 2.91Å; D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact O-N 2.91Å; D368-I371 PolarHBondContact O-N 3.11Å; D368-M372 WeakPolarHBondContact O-CB 3.32Å; D368-M372 VanDerWaalsContact O-CG 3.32Å; D368-M372 WeakPolarHBondContact O-CG 3.17Å; D368-M372 PolarHBondContact O-N 3.26Å
369R91.2Very high84.7Confident156 Ų156108 Ų10859%0.58950%0.503SS*.Hα-helixtrans-62.5-36.5174.3-75.7-175.7-67.2-124.13112.7R365 A366 L367 K373R365-R369 WeakPolarHBondContact O-CB 3.35Å; R365-R369 VanDerWaalsContact O-CG 3.29Å; R365-R369 WeakPolarHBondContact O-CG 3.5Å; R365-R369 PolarHBondContact O-N 3.48Å; R365-R369 VanDerWaalsContact O-N 3.14Å; R365-R369 PolarHBondContact O-NE 3.29Å; A366-R369 PolarHBondContact O-N 3.13Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.4Å; R369-K373 WeakPolarHBondContact O-CG 3.33Å; R369-K373 PolarHBondContact O-N 3.32Å; R369-K373 VanDerWaalsContact O-N 3.1Å
370Q94.5Very high86Confident128 Ų128108.6 Ų108.660%0.59850%0.503SS*.Hα-helixtrans-69.2-43.3176.8-173.2177.2-600111.4A366 L367 D368 K373 E374A366-Q370 PolarHBondContact O-N 2.94Å; L367-Q370 WeakPolarHBondContact O-CA 3.47Å; L367-Q370 WeakPolarHBondContact O-CB 3.36Å; L367-Q370 PolarHBondContact O-N 2.82Å; D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact O-N 2.91Å; Q370-K373 PolarHBondContact O-N 2.96Å; Q370-E374 PolarHBondContact O-N 3Å
371I92Very high87Confident85 Ų85107 Ų10744%0.43651%0.512SS..Hα-helixtrans-61.6-45.7176.6-67.1168.5000110.4L367 D368 K373 E374 M375L367-I371 HydrophobicContact CG-CD1 4.06Å; L367-I371 WeakPolarHBondContact O-CG1 3.24Å; L367-I371 PolarHBondContact O-N 3.36Å; D368-I371 PolarHBondContact O-N 3.11Å; I371-K373 PolarHBondContact O-N 3.04Å; I371-E374 PolarHBondContact O-N 2.88Å; I371-M375 PolarHBondContact O-N 2.85Å
372M91Very high86.9Confident131 Ų131109.6 Ų109.665%0.64552%0.519SS*.Hα-helixtrans-62.1-41.5177.5-73.1-69.3-76.400112.5D368 E374 Q376D368-M372 WeakPolarHBondContact O-CB 3.32Å; D368-M372 VanDerWaalsContact O-CG 3.32Å; D368-M372 WeakPolarHBondContact O-CG 3.17Å; D368-M372 PolarHBondContact O-N 3.26Å; M372-E374 VanDerWaalsContact C-N 3.34Å; M372-E374 PolarHBondContact O-N 3.07Å; M372-Q376 WeakPolarHBondContact O-CB 3.42Å; M372-Q376 PolarHBondContact O-N 3.14Å
373K94.9Very high86.7Confident139 Ų139107.9 Ų107.960%0.60452%0.519SS*.Hα-helixtrans-63.2-39.6174.5-79-178178.6-175.20112.3R369 Q370 I371 Q376 R377R369-K373 WeakPolarHBondContact O-CG 3.33Å; R369-K373 PolarHBondContact O-N 3.32Å; R369-K373 VanDerWaalsContact O-N 3.1Å; Q370-K373 PolarHBondContact O-N 2.96Å; I371-K373 PolarHBondContact O-N 3.04Å; K373-Q376 PolarHBondContact O-N 3.16Å; K373-R377 PolarHBondContact O-N 3.2Å
374E91.3Very high86.1Confident81 Ų81104.9 Ų104.938%0.37951%0.512SS..Hα-helixtrans-72.1-41.1179.9-163.457.3-152.800112Q370 I371 M372 Q376 R377 Q378Q370-E374 PolarHBondContact O-N 3Å; I371-E374 PolarHBondContact O-N 2.88Å; M372-E374 VanDerWaalsContact C-N 3.34Å; M372-E374 PolarHBondContact O-N 3.07Å; E374-Q376 VanDerWaalsContact C-N 3.3Å; E374-Q376 PolarHBondContact O-N 2.96Å; E374-R377 PolarHBondContact O-N 3.02Å; E374-R377 IonicContact OE2-CZ 2.69Å; E374-R377 IonicContact OE2-NE 2.69Å; E374-R377 PolarHBondContact OE2-NE 2.76Å; E374-R377 IonicContact OE2-NH2 3.8Å; E374-R377 PolarHBondContact OE2-NH2 2.97Å; E374-Q378 WeakPolarHBondContact O-CG 3.44Å; E374-Q378 PolarHBondContact O-N 3.2Å
375M87.9Confident84.7Confident97 Ų97113.7 Ų113.748%0.47854%0.54SS..Hα-helixtrans-58.5-42.5170.7-80.7-17063.700111.8I371 Q378 W379I371-M375 PolarHBondContact O-N 2.85Å; M375-Q378 PolarHBondContact O-N 3.27Å; M375-W379 WeakPolarHBondContact O-CB 3.42Å; M375-W379 PolarHBondContact O-N 3.14Å
376Q90.2Very high82.9Confident118 Ų118116.8 Ų116.855%0.55155%0.552SS**Hα-helixtrans-64.7-39.6176.8-170.9173.115.900112M372 K373 E374 W379 Q380M372-Q376 WeakPolarHBondContact O-CB 3.42Å; M372-Q376 PolarHBondContact O-N 3.14Å; K373-Q376 PolarHBondContact O-N 3.16Å; E374-Q376 VanDerWaalsContact C-N 3.3Å; E374-Q376 PolarHBondContact O-N 2.96Å; Q376-W379 PolarHBondContact O-N 3.09Å; Q376-Q380 WeakPolarHBondContact O-CG 3.5Å; Q376-Q380 PolarHBondContact O-N 3.21Å
377R91Very high80.8Confident150 Ų150119.7 Ų119.757%0.56657%0.567SS**Hα-helixtrans-63-45.1172.9-83.9-164.3-79.1-138.9-0.6112.2K373 E374 W379 Q380 S381K373-R377 PolarHBondContact O-N 3.2Å; E374-R377 PolarHBondContact O-N 3.02Å; E374-R377 IonicContact OE2-CZ 2.69Å; E374-R377 IonicContact OE2-NE 2.69Å; E374-R377 PolarHBondContact OE2-NE 2.76Å; E374-R377 IonicContact OE2-NH2 3.8Å; E374-R377 PolarHBondContact OE2-NH2 2.97Å; R377-W379 VanDerWaalsContact C-N 3.34Å; R377-W379 PolarHBondContact O-N 2.98Å; R377-Q380 PolarHBondContact O-N 3.2Å; R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 3.21Å
378Q86.9Confident78.9Confident102 Ų102122.3 Ų122.348%0.47758%0.58SS.*Hα-helixtrans-60-45.9175.4-74.7-174.1-8.100111E374 M375 Q380 S381 E382E374-Q378 WeakPolarHBondContact O-CG 3.44Å; E374-Q378 PolarHBondContact O-N 3.2Å; M375-Q378 PolarHBondContact O-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.9Å; Q378-S381 WeakPolarHBondContact CA-OG 3.44Å; Q378-S381 PolarHBondContact O-N 3.1Å; Q378-S381 VanDerWaalsContact O-N 3.13Å; Q378-S381 PolarHBondContact O-OG 3.31Å; Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 3.27Å; Q378-E382 PolarHBondContact O-N 3.22Å
379W80.4Confident77Confident117 Ų117126 Ų12644%0.44360%0.604SS.*Hα-helixtrans-58.6-44.2176.1-100.658.5000113.4M375 Q376 R377 S381 E382 Y386M375-W379 WeakPolarHBondContact O-CB 3.42Å; M375-W379 PolarHBondContact O-N 3.14Å; Q376-W379 PolarHBondContact O-N 3.09Å; R377-W379 VanDerWaalsContact C-N 3.34Å; R377-W379 PolarHBondContact O-N 2.98Å; W379-S381 VanDerWaalsContact C-N 3.35Å; W379-E382 PolarHBondContact O-N 2.89Å; W379-Y386 HydrophobicContact CE3-CD2 4.28Å; W379-Y386 AromaticContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CH2-CE1 4.19Å; W379-Y386 HydrophobicContact CH2-CE2 4.25Å; W379-Y386 HydrophobicContact CZ3-CD1 4.27Å; W379-Y386 AromaticContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CE1 4.01Å; W379-Y386 AromaticContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CG 4.09Å; W379-Y386 AromaticContact CZ3-CZ 3.53Å
380Q87.7Confident74.6Confident141 Ų141122.7 Ų122.766%0.65961%0.61SS**Hα-helixtrans-66.2-38.3175.6-72.9176.7-300111.7Q376 R377 Q378 G383Q376-Q380 WeakPolarHBondContact O-CG 3.5Å; Q376-Q380 PolarHBondContact O-N 3.21Å; R377-Q380 PolarHBondContact O-N 3.2Å; Q378-Q380 PolarHBondContact O-N 2.9Å; Q380-G383 PolarHBondContact O-N 2.68Å
381S86.7Confident72.3Confident97 Ų97121.9 Ų121.968%0.67862%0.619SS**Hα-helixtrans-70.2-30178.376.40000113.4R377 Q378 W379 G383R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.31Å; R377-S381 PolarHBondContact O-OG 3.21Å; Q378-S381 WeakPolarHBondContact CA-OG 3.44Å; Q378-S381 PolarHBondContact O-N 3.1Å; Q378-S381 VanDerWaalsContact O-N 3.13Å; Q378-S381 PolarHBondContact O-OG 3.31Å; W379-S381 VanDerWaalsContact C-N 3.35Å; S381-G383 VanDerWaalsContact C-N 3.26Å; S381-G383 PolarHBondContact O-N 3.35Å
382E78.9Confident70Confident103 Ų103127 Ų12748%0.48164%0.641SS.*THydrogen-bonded Turntrans-80.9-2.5-179.7-75.9-170.7-168.400113.3Q378 W379 K384Q378-E382 WeakPolarHBondContact O-CB 3.49Å; Q378-E382 WeakPolarHBondContact O-CG 3.27Å; Q378-E382 PolarHBondContact O-N 3.22Å; W379-E382 PolarHBondContact O-N 2.89Å; E382-K384 HydrophobicContact CB-CD 4.43Å; E382-K384 PolarHBondContact O-N 3.5Å; E382-K384 IonicContact OE2-NZ 2.74Å; E382-K384 PolarHBondContact OE2-NZ 2.82Å
383G73.5Confident67.4Low65 Ų65124.8 Ų124.867%0.6765%0.651SS**THydrogen-bonded Turntrans61.711.9173.800000115.1Q380 S381 R385Q380-G383 PolarHBondContact O-N 2.68Å; S381-G383 VanDerWaalsContact C-N 3.26Å; S381-G383 PolarHBondContact O-N 3.35Å; G383-R385 PolarHBondContact O-N 2.87Å; G383-R385 VanDerWaalsContact O-N 3.16Å
384K65Low64.7Low138 Ų138121.6 Ų121.660%0.666%0.658SS**  trans-81.398.7-178.2-72171.7-172.8159.40109.3E382 Y386E382-K384 HydrophobicContact CB-CD 4.43Å; E382-K384 PolarHBondContact O-N 3.5Å; E382-K384 IonicContact OE2-NZ 2.74Å; E382-K384 PolarHBondContact OE2-NZ 2.82Å; K384-Y386 PolarHBondContact O-N 3.43Å
385R50.1Low62.4Low238 Ų238127.2 Ų127.290%0.89868%0.684SS**  trans-53.8132.4167.3-75-175.8177.3178.5-0.9109.3G383G383-R385 PolarHBondContact O-N 2.87Å; G383-R385 VanDerWaalsContact O-N 3.16Å
386Y45.1Very low60.1Low171 Ų171131.8 Ų131.867%0.67171%0.705SS**  trans-48.3132.1167-97.7-90.5000109.9W379 K384 I388W379-Y386 HydrophobicContact CE3-CD2 4.28Å; W379-Y386 AromaticContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CE3-CE2 3.83Å; W379-Y386 HydrophobicContact CH2-CE1 4.19Å; W379-Y386 HydrophobicContact CH2-CE2 4.25Å; W379-Y386 HydrophobicContact CZ3-CD1 4.27Å; W379-Y386 AromaticContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CD2 3.63Å; W379-Y386 HydrophobicContact CZ3-CE1 4.01Å; W379-Y386 AromaticContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CE2 3.32Å; W379-Y386 HydrophobicContact CZ3-CG 4.09Å; W379-Y386 AromaticContact CZ3-CZ 3.53Å; K384-Y386 PolarHBondContact O-N 3.43Å; Y386-I388 VanDerWaalsContact C-N 3.3Å; Y386-I388 PolarHBondContact O-N 3.33Å
387P44.1Very low57.8Low109 Ų109135.6 Ų135.671%0.70872%0.722SS**  trans-68.799.9157.528.1-26.9000106.2V389P387-V389 PolarHBondContact O-N 3.02Å; P387-V389 VanDerWaalsContact O-N 3.09Å
388I48.5Very low55.5Low150 Ų150133.1 Ų133.177%0.76973%0.728SS**  trans-56.1117.3162.7-67.9171.4000105.5Y386 A390Y386-I388 VanDerWaalsContact C-N 3.3Å; Y386-I388 PolarHBondContact O-N 3.33Å; I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 2.99Å
389V46.3Very low53.4Low129 Ų129137 Ų13778%0.78275%0.746SS**  trans-60.498.1167.1177.30000106.1P387 S391P387-V389 PolarHBondContact O-N 3.02Å; P387-V389 VanDerWaalsContact O-N 3.09Å; V389-S391 VanDerWaalsContact C-N 3.29Å; V389-S391 PolarHBondContact O-N 2.89Å
390A40.2Very low51.8Low87 Ų87136.1 Ų136.172%0.71976%0.758SS**  trans-70.690.9169.100000107.5I388 Q392I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 2.99Å; A390-Q392 PolarHBondContact O-N 2.69Å
391S46.3Very low49.8Very low112 Ų112134.9 Ų134.978%0.78377%0.765SS**  trans-61.6115.3158.1-91.90000107.7V389V389-S391 VanDerWaalsContact C-N 3.29Å; V389-S391 PolarHBondContact O-N 2.89Å
392Q43.3Very low48Very low193 Ų193137 Ų13790%0.90276%0.764SS**  trans-64.2131.7168.9-76.6-179.7-9.400110.2A390A390-Q392 PolarHBondContact O-N 2.69Å
393G38.3Very low46Very low83 Ų83137.9 Ų137.986%0.85678%0.78SS**  trans95.3107143.500000116
394G37.7Very low44.8Very low73 Ų73139.9 Ų139.975%0.75378%0.779SS**  trans153.476.1161.900000114.1
395E42.8Very low43.9Very low199 Ų199138.2 Ų138.293%0.9378%0.777SS**  trans44.6127.8148.7-65.6-179.6148.700122
396E40.5Very low43.8Very low193 Ų193132.9 Ų132.990%0.90277%0.766SS**  trans-35125.1165.9-60174.115200115.1
397Q40.9Very low43.6Very low198 Ų198133.3 Ų133.393%0.92577%0.767SS**  -160.5142.3128.6-111.6173.619.600112.1
398S42.3Very low43.9Very low97 Ų97132.9 Ų132.968%0.67876%0.759SS**  trans-65.9163.8-170.2-48.20000114.4
399E43.2Very low43.7Very low183 Ų183127.8 Ų127.886%0.85574%0.74SS**  trans74.795.8152.6-62.7158-146.100117.2
400S45.9Very low43.7Very low100 Ų100128 Ų12870%0.69974%0.736SS**  178.1135.611262.50000112.5E402S400-E402 PolarHBondContact O-N 3.12Å
401S45.6Very low44.1Very low114 Ų114127.5 Ų127.580%0.79772%0.724SS**  trans-8077.217756.50000110.8
402E49.1Very low44Very low141 Ų141125.4 Ų125.466%0.65971%0.709SS**  trans-139.811.9-171.5-133.5173.7-177.300115.5S400S400-E402 PolarHBondContact O-N 3.12Å
403C37.6Very low44.1Very low122 Ų122122.9 Ų122.982%0.82470%0.702SS**SBendtrans-102.4-8.8-176-156.60000114.9
404T47.7Very low44.4Very low107 Ų107127.7 Ų127.766%0.65670%0.699SS**SBendtrans-100.8-11.3179.322.50000114.8N408T404-N408 PolarHBondContact O-ND2 3.23Å
405D47.1Very low44.6Very low104 Ų104132.5 Ų132.556%0.55670%0.7SS**Hα-helixtrans-92.3-24.5-175.4-64.9-28.8000113.4Y407 N408 A409D405-Y407 PolarHBondContact O-N 2.88Å; D405-N408 PolarHBondContact O-N 3.41Å; D405-A409 WeakPolarHBondContact O-CB 3.32Å; D405-A409 PolarHBondContact O-N 2.94Å
406L47.3Very low44.4Very low125 Ų125130.6 Ų130.665%0.65470%0.696SS**Hα-helixtrans-71.4-28.4177.1-73.4169.6000113.4L410L406-L410 WeakPolarHBondContact O-CD1 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 3.26Å
407Y41.6Very low44.4Very low180 Ų180127.5 Ų127.571%0.70670%0.696SS**Hα-helixtrans-75.5-33.5177.1-166.2-95.4000112D405 T411D405-Y407 PolarHBondContact O-N 2.88Å; Y407-T411 PolarHBondContact O-OG1 3.3Å
408N49.2Very low44.3Very low101 Ų101123.2 Ų123.254%0.5469%0.694SS.*Hα-helixtrans-80.3-32.7177.6-68.5-31.2000112.4T404 D405 T411 S412T404-N408 PolarHBondContact O-ND2 3.23Å; D405-N408 PolarHBondContact O-N 3.41Å; N408-T411 PolarHBondContact O-N 2.98Å; N408-T411 PolarHBondContact O-OG1 3.44Å; N408-S412 PolarHBondContact O-N 3.48Å; N408-S412 VanDerWaalsContact O-N 3.12Å; N408-S412 PolarHBondContact O-OG 3.32Å
409A46.1Very low44.1Very low43 Ų43123.9 Ų123.936%0.35570%0.699SS.*Hα-helixtrans-67.8-36.2174.500000112.9D405 T411 S412D405-A409 WeakPolarHBondContact O-CB 3.32Å; D405-A409 PolarHBondContact O-N 2.94Å; A409-T411 VanDerWaalsContact C-N 3.27Å; A409-T411 PolarHBondContact O-N 3.11Å; A409-S412 PolarHBondContact O-OG 3.09Å
410L44.8Very low43.9Very low134 Ų134122.4 Ų122.470%0.70270%0.697SS**Hα-helixtrans-72.7-18.2176.7-78.1166.1000113.7L406L406-L410 WeakPolarHBondContact O-CD1 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 3.26Å
411T48.2Very low43.9Very low76 Ų76127.5 Ų127.547%0.46671%0.706SS.*Hα-helixtrans-100.1-17178.228.20000113.9Y407 N408 A409 F415Y407-T411 PolarHBondContact O-OG1 3.3Å; N408-T411 PolarHBondContact O-N 2.98Å; N408-T411 PolarHBondContact O-OG1 3.44Å; A409-T411 VanDerWaalsContact C-N 3.27Å; A409-T411 PolarHBondContact O-N 3.11Å; T411-F415 WeakPolarHBondContact O-CD2 3.29Å
412S45.8Very low43.6Very low68 Ų68125.6 Ų125.648%0.47670%0.704SS.*Hα-helixtrans-84.4-30.4176.257.60000114N408 A409 F414N408-S412 PolarHBondContact O-N 3.48Å; N408-S412 VanDerWaalsContact O-N 3.12Å; N408-S412 PolarHBondContact O-OG 3.32Å; A409-S412 PolarHBondContact O-OG 3.09Å; S412-F414 PolarHBondContact O-N 2.8Å
413D44.5Very low43Very low139 Ų139126.2 Ų126.274%0.74371%0.712SS**THydrogen-bonded Turntrans-80.4-1.3-173.1-69.3-2.4000114.2
414F43.7Very low43.3Very low185 Ų185129 Ų12981%0.81171%0.713SS**THydrogen-bonded Turntrans-96.8-1.2176.8-98.8-82.8000114.6S412S412-F414 PolarHBondContact O-N 2.8Å
415F43Very low43.1Very low173 Ų173134.6 Ų134.676%0.75973%0.728SS**SBendtrans-107.83-168.2-84.8-79.7000117.3T411T411-F415 WeakPolarHBondContact O-CD2 3.29Å
416D39.2Very low42.6Very low160 Ų160142 Ų14286%0.85675%0.749SS**SBendtrans-126.632.2-173.5-99.3-21.9000116
417S39.1Very low42.3Very low127 Ų127139.7 Ų139.789%0.88875%0.754SS**  trans-144.371.2176.3-75.30000113.9
418A40.2Very low42.4Very low108 Ų108139.7 Ų139.789%0.89376%0.761SS**  trans-154.653.7163.200000112.1
419S37.1Very low42.2Very low111 Ų111140.6 Ų140.678%0.77677%0.773SS**  trans-99.4141.215472.50000108.5
420D38.8Very low42.3Very low153 Ų153146.6 Ų146.682%0.81880%0.797SS**  trans73.494.7174.3-93.2-15.7000117.6
421K46.7Very low43.4Very low207 Ų207145.1 Ų145.190%0.979%0.785SS**  173.2102.9115.7-90.6166.8-173.6-178.80112.8
422G38.8Very low44.2Very low73 Ų73144.7 Ų144.775%0.75379%0.785SS**  44.6103.9129.400000121.2
423N36.9Very low45Very low154 Ų154146.1 Ų146.182%0.82479%0.786SS**  25106.4126.7-69.1-17.2000118.6
424H44Very low45.8Very low181 Ų181147.7 Ų147.784%0.83878%0.782SS**  trans-174.997.6138.8-92.8-5.3000110
425F43.5Very low46.9Very low224 Ų224143.4 Ų143.498%0.98276%0.764SS**  trans-16486.7146.6-94-67.2000108.6
426R36.8Very low47.9Very low261 Ų261139.4 Ų139.499%0.98575%0.748SS**  trans-105.7119.6172.7-161-178.8-160-120.54.8106.7
427G41.2Very low49Very low75 Ų75136.6 Ų136.677%0.77373%0.732SS**  trans117.518154.100000120.5
428Q43.4Very low50.1Low180 Ų180134.7 Ų134.784%0.84171%0.709SS**  trans-104.7132.1166.5-72-144.2-19.700112I430Q428-I430 PolarHBondContact O-N 2.72Å
429P44.2Very low51Low121 Ų121133.4 Ų133.479%0.78669%0.685SS**  trans-64.6128.8174.526.6-30.5000109.1K431P429-K431 PolarHBondContact O-N 3.17Å
430I47.9Very low52Low169 Ų169133.8 Ų133.887%0.86767%0.672SS**  trans-73109.1-179.4-61.1165.5000107.4Q428Q428-I430 PolarHBondContact O-N 2.72Å
431K67.7Low52.6Low102 Ų102129.9 Ų129.944%0.44365%0.654SS.*  trans-60.7137.9172.1-70.3-178171.7-175.20110P429 E435 E439P429-K431 PolarHBondContact O-N 3.17Å; K431-E435 WeakPolarHBondContact CA-OE2 3.43Å; K431-E439 IonicContact NZ-OE1 2.67Å; K431-E439 PolarHBondContact NZ-OE1 3.43Å; K431-E439 IonicContact NZ-OE2 3.38Å; K431-E439 PolarHBondContact NZ-OE2 3.26Å
432S64.9Low52.4Low68 Ų68128.2 Ų128.248%0.47665%0.647SS.*  trans-65.5146.2174170.30000110.2R434 E435 E436S432-R434 PolarHBondContact O-N 3.05Å; S432-R434 VanDerWaalsContact O-N 3.12Å; S432-R434 PolarHBondContact OG-N 3.18Å; S432-E435 PolarHBondContact N-OE2 3.44Å; S432-E435 CarbonylContact O-C 3.53Å; S432-E435 WeakPolarHBondContact O-CA 3.28Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.38Å; S432-E436 PolarHBondContact O-N 3.04Å
433I64Low52.5Low97 Ų97132 Ų13250%0.49764%0.643SS.*Hα-helixtrans-53-34.9172.6-67.6168.7000110.6I437I433-I437 HydrophobicContact CG2-CD1 3.84Å; I433-I437 WeakPolarHBondContact O-CB 3.08Å; I433-I437 WeakPolarHBondContact O-CD1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.3Å; I433-I437 PolarHBondContact O-N 3.21Å
434R60.9Low52.7Low172 Ų172132.9 Ų132.965%0.64964%0.642SS**Hα-helixtrans-65.4-43.3174.6-176.9178.9173.9-157.1-6.6111.9S432 I437 E438S432-R434 PolarHBondContact O-N 3.05Å; S432-R434 VanDerWaalsContact O-N 3.12Å; S432-R434 PolarHBondContact OG-N 3.18Å; R434-I437 PolarHBondContact O-N 3.29Å; R434-E438 HydrophobicContact CG-CG 4.46Å; R434-E438 IonicContact CZ-OE1 2.93Å; R434-E438 VanDerWaalsContact CZ-OE1 3.23Å; R434-E438 IonicContact NE-OE1 2.67Å; R434-E438 PolarHBondContact NE-OE1 3.4Å; R434-E438 IonicContact NH2-OE1 2.86Å; R434-E438 PolarHBondContact NH2-OE1 3.44Å; R434-E438 WeakPolarHBondContact O-CB 3.36Å; R434-E438 VanDerWaalsContact O-CG 3.32Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 3.02Å
435E65.9Low52.2Low96 Ų96132 Ų13245%0.44964%0.638SS.*Hα-helixtrans-67.3-36.7178.1-166.8-179.7-168.800111.3K431 S432 E438 E439K431-E435 WeakPolarHBondContact CA-OE2 3.43Å; S432-E435 PolarHBondContact N-OE2 3.44Å; S432-E435 CarbonylContact O-C 3.53Å; S432-E435 WeakPolarHBondContact O-CA 3.28Å; S432-E435 WeakPolarHBondContact O-CB 3.32Å; S432-E435 PolarHBondContact O-N 3.38Å; E435-E438 PolarHBondContact O-N 2.7Å; E435-E439 WeakPolarHBondContact O-CB 3.41Å; E435-E439 PolarHBondContact O-N 2.8Å
436E64.8Low51.7Low88 Ų88131.1 Ų131.141%0.41163%0.628SS.*Hα-helixtrans-67.6-38.1173.7-167.1-174.3163.400112.2S432 K440S432-E436 PolarHBondContact O-N 3.04Å; E436-K440 HydrophobicContact CG-CD 4.24Å; E436-K440 VanDerWaalsContact O-CB 3.28Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 VanDerWaalsContact O-CG 3.29Å; E436-K440 WeakPolarHBondContact O-CG 3.43Å; E436-K440 PolarHBondContact O-N 3.24Å; E436-K440 IonicContact OE1-NZ 2.85Å; E436-K440 PolarHBondContact OE1-NZ 3.29Å
437I61.7Low51.5Low101 Ų101123.4 Ų123.452%0.51861%0.612SS.*Hα-helixtrans-70-44.1174.8-68.6165.9000110.6I433 R434 K440 T441I433-I437 HydrophobicContact CG2-CD1 3.84Å; I433-I437 WeakPolarHBondContact O-CB 3.08Å; I433-I437 WeakPolarHBondContact O-CD1 3.32Å; I433-I437 WeakPolarHBondContact O-CG1 3.3Å; I433-I437 PolarHBondContact O-N 3.21Å; R434-I437 PolarHBondContact O-N 3.29Å; I437-K440 PolarHBondContact O-N 3.3Å; I437-T441 HydrophobicContact CG2-CG2 4.25Å; I437-T441 VanDerWaalsContact O-CB 3.32Å; I437-T441 WeakPolarHBondContact O-CB 3.32Å; I437-T441 VanDerWaalsContact O-CG2 3.27Å; I437-T441 WeakPolarHBondContact O-CG2 3.48Å; I437-T441 PolarHBondContact O-N 2.76Å; I437-T441 PolarHBondContact O-OG1 2.82Å
438E62.6Low51.2Low88 Ų88126.6 Ų126.641%0.41161%0.606SS.*Hα-helixtrans-62.9-46.2176.2-75.5173.3-176.900110.2R434 E435 K440 T441 F442R434-E438 HydrophobicContact CG-CG 4.46Å; R434-E438 IonicContact CZ-OE1 2.93Å; R434-E438 VanDerWaalsContact CZ-OE1 3.23Å; R434-E438 IonicContact NE-OE1 2.67Å; R434-E438 PolarHBondContact NE-OE1 3.4Å; R434-E438 IonicContact NH2-OE1 2.86Å; R434-E438 PolarHBondContact NH2-OE1 3.44Å; R434-E438 WeakPolarHBondContact O-CB 3.36Å; R434-E438 VanDerWaalsContact O-CG 3.32Å; R434-E438 WeakPolarHBondContact O-CG 3.19Å; R434-E438 PolarHBondContact O-N 3.02Å; E435-E438 PolarHBondContact O-N 2.7Å; E438-K440 PolarHBondContact O-N 2.8Å; E438-T441 WeakPolarHBondContact CA-OG1 3.31Å; E438-T441 PolarHBondContact O-N 2.93Å; E438-T441 PolarHBondContact O-OG1 2.67Å; E438-F442 WeakPolarHBondContact O-CB 2.96Å; E438-F442 PolarHBondContact O-N 2.97Å
439E58.2Low50.8Low81 Ų81129.2 Ų129.238%0.37961%0.609SS.*Hα-helixtrans-64.1-40.7177.5-157.6176.6-152.700111.7K431 E435 F443K431-E439 IonicContact NZ-OE1 2.67Å; K431-E439 PolarHBondContact NZ-OE1 3.43Å; K431-E439 IonicContact NZ-OE2 3.38Å; K431-E439 PolarHBondContact NZ-OE2 3.26Å; E435-E439 WeakPolarHBondContact O-CB 3.41Å; E435-E439 PolarHBondContact O-N 2.8Å; E439-F443 HydrophobicContact CG-CD2 4.16Å; E439-F443 HydrophobicContact CG-CE2 4.15Å; E439-F443 VanDerWaalsContact O-CD2 3.3Å; E439-F443 WeakPolarHBondContact O-CD2 3.41Å; E439-F443 PolarHBondContact O-N 3.07Å
440K59.3Low50.3Low119 Ų119132.4 Ų132.452%0.51761%0.605SS.*Hα-helixtrans-70.9-34.4176.8-76.3175.5174.1170.50113.6E436 I437 E438E436-K440 HydrophobicContact CG-CD 4.24Å; E436-K440 VanDerWaalsContact O-CB 3.28Å; E436-K440 WeakPolarHBondContact O-CB 3.49Å; E436-K440 VanDerWaalsContact O-CG 3.29Å; E436-K440 WeakPolarHBondContact O-CG 3.43Å; E436-K440 PolarHBondContact O-N 3.24Å; E436-K440 IonicContact OE1-NZ 2.85Å; E436-K440 PolarHBondContact OE1-NZ 3.29Å; I437-K440 PolarHBondContact O-N 3.3Å; E438-K440 PolarHBondContact O-N 2.8Å
441T51.4Low49.6Very low70 Ų70129 Ų12943%0.42960%0.596SS.*Hα-helixtrans-81.2-33.1178.153.60000112.3I437 E438 H445I437-T441 HydrophobicContact CG2-CG2 4.25Å; I437-T441 VanDerWaalsContact O-CB 3.32Å; I437-T441 WeakPolarHBondContact O-CB 3.32Å; I437-T441 VanDerWaalsContact O-CG2 3.27Å; I437-T441 WeakPolarHBondContact O-CG2 3.48Å; I437-T441 PolarHBondContact O-N 2.76Å; I437-T441 PolarHBondContact O-OG1 2.82Å; E438-T441 WeakPolarHBondContact CA-OG1 3.31Å; E438-T441 PolarHBondContact O-N 2.93Å; E438-T441 PolarHBondContact O-OG1 2.67Å; T441-H445 PolarHBondContact O-CD2 3.23Å; T441-H445 VanDerWaalsContact O-CD2 3.31Å; T441-H445 PolarHBondContact O-N 3.3Å
442F41.5Very low47.9Very low173 Ų173132.3 Ų132.376%0.75962%0.618SS**Hα-helixtrans-73.9-30.8-179.9-146.9-94.4000112.7E438E438-F442 WeakPolarHBondContact O-CB 2.96Å; E438-F442 PolarHBondContact O-N 2.97Å
443F41.9Very low46.2Very low153 Ų153135.9 Ų135.967%0.67163%0.632SS**Hα-helixtrans-81.7-17176.2-85.7-81.2000114.5E439E439-F443 HydrophobicContact CG-CD2 4.16Å; E439-F443 HydrophobicContact CG-CE2 4.15Å; E439-F443 VanDerWaalsContact O-CD2 3.3Å; E439-F443 WeakPolarHBondContact O-CD2 3.41Å; E439-F443 PolarHBondContact O-N 3.07Å
444Q40.7Very low44.7Very low172 Ų172135.2 Ų135.280%0.80464%0.64SS**Hα-helixtrans-87.7-17.9172.4-89.5-178-600113.8
445H33.7Very low43.4Very low161 Ų161134.6 Ų134.675%0.74565%0.65SS**  trans-93.421.4178-82.3-66.4000114.8T441 P447T441-H445 PolarHBondContact O-CD2 3.23Å; T441-H445 VanDerWaalsContact O-CD2 3.31Å; T441-H445 PolarHBondContact O-N 3.3Å; H445-P447 VanDerWaalsContact O-CD 3.32Å; H445-P447 WeakPolarHBondContact O-CD 3.38Å
446R32.7Very low42.2Very low207 Ų207138.2 Ų138.278%0.78167%0.671SS**SBendtrans-65121.5160.2-99.7-168.9176.6-172.20.4107.8Q448R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.16Å
447P32.9Very low40.9Very low98 Ų98143.2 Ų143.264%0.63669%0.691SS**  trans-61.9104170.724.6-28.6000106.4H445 W449H445-P447 VanDerWaalsContact O-CD 3.32Å; H445-P447 WeakPolarHBondContact O-CD 3.38Å; P447-W449 PolarHBondContact O-N 3.16Å
448Q34.8Very low39.6Very low142 Ų142144 Ų14466%0.66470%0.701SS**  trans-67.289.6166.7-160.8178.836.800104.7R446 R450R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.16Å; Q448-R450 HydrophobicContact CG-CG 3.84Å; Q448-R450 PolarHBondContact O-N 3.37Å
449W35.2Very low38.4Very low235 Ų235147.7 Ų147.789%0.8972%0.723SS**  trans-61.275.5165-77.288.1000107.2P447 S451P447-W449 PolarHBondContact O-N 3.16Å; W449-S451 PolarHBondContact O-N 2.85Å; W449-S451 VanDerWaalsContact O-N 3.09Å
450R34Very low37.2Very low188 Ų188147.3 Ų147.371%0.70974%0.741SS**  trans-71.5104.5164.6-70.5-156.7-174.9-149.83.3105.5Q448 L452Q448-R450 HydrophobicContact CG-CG 3.84Å; Q448-R450 PolarHBondContact O-N 3.37Å; R450-L452 PolarHBondContact O-N 3.45Å
451S32.2Very low36.2Very low97 Ų97149.5 Ų149.568%0.67876%0.758SS**  trans-40.596.4169.5-153.60000110.1W449 N453W449-S451 PolarHBondContact O-N 2.85Å; W449-S451 VanDerWaalsContact O-N 3.09Å; S451-N453 PolarHBondContact O-N 2.73Å; S451-N453 PolarHBondContact OG-ND2 3.14Å
452L32.2Very low35.6Very low173 Ų173154.4 Ų154.491%0.90678%0.778SS**  trans-76.366.3162.4-95.8155.4000106.9R450R450-L452 PolarHBondContact O-N 3.45Å
453N30.6Very low35.3Very low143 Ų143151.7 Ų151.777%0.76578%0.778SS**  trans-127.172.7170.5-82.6-42.9000107.3S451S451-N453 PolarHBondContact O-N 2.73Å; S451-N453 PolarHBondContact OG-ND2 3.14Å
454A31.4Very low35.1Very low82 Ų82151.7 Ų151.768%0.67878%0.784SS**SBendtrans-156127.7159.300000107.7
455D34.3Very low34.5Very low160 Ų160148.4 Ų148.486%0.85678%0.781SS**  trans76.656.8165-57.1-22.3000119.5
456I39.6Very low34.4Very low172 Ų172146 Ų14688%0.88278%0.777SS**  trans-130.7105.5146.6-54.6179.1000109.8T458I456-T458 PolarHBondContact O-N 3.36Å
457K38.9Very low34.3Very low193 Ų193141.5 Ų141.584%0.83977%0.773SS**  trans-61.2119.4172.5-78173.1174173.40110.8
458T33.5Very low34.1Very low116 Ų116141 Ų14171%0.71277%0.767SS**  trans37.2100138.461.60000117.6I456I456-T458 PolarHBondContact O-N 3.36Å
459N36.9Very low33.8Very low167 Ų167141.4 Ų141.489%0.89377%0.769SS**  -169.3106.3128.3-88.1-29.8000110.4
460G33.9Very low33.4Very low72 Ų72139.3 Ų139.374%0.74276%0.763SS**SBendtrans22.590.4163.300000119.3
461N38.5Very low33.3Very low166 Ų166138 Ų13889%0.88876%0.764SS**  trans-171.7115.8137.3-98.3-13.7000109
462M37.8Very low33.3Very low172 Ų172138.6 Ų138.685%0.84778%0.776SS**PPolyproline II helixtrans-59.5137.6174.2-81.3-98.8-58.700110.9L464M462-L464 PolarHBondContact O-N 3.34Å
463P36.4Very low33.6Very low116 Ų116134.6 Ų134.675%0.75378%0.776SS**PPolyproline II helixtrans-68.9125169.227.4-30.1000109.9S465P463-S465 PolarHBondContact O-N 3.18Å
464L36.2Very low33.6Very low153 Ų153131.4 Ų131.480%0.80177%0.765SS**PPolyproline II helixtrans-65.5121.2178.2-76156000110.6M462 T466M462-L464 PolarHBondContact O-N 3.34Å; L464-T466 PolarHBondContact O-N 3.11Å
465S29.9Very low33.7Very low104 Ų104135.6 Ų135.673%0.72777%0.768SS**PPolyproline II helixtrans-62.3124.8169.7173.70000110.3P463P463-S465 PolarHBondContact O-N 3.18Å
466T30.6Very low33.5Very low110 Ų110132.3 Ų132.368%0.67575%0.754SS**  trans-91.7110.1167.7-53.50000107.8L464L464-T466 PolarHBondContact O-N 3.11Å
467V29.9Very low33.2Very low113 Ų113129 Ų12969%0.68574%0.742SS**  trans-92.6118.2173.6-179.90000107.9
468V28.8Very low33.1Very low87 Ų87127.2 Ų127.253%0.52774%0.736SS.*  trans-94.8110170.3-179.80000107.4Y470V468-Y470 HydrophobicContact CG1-CD2 4.22Å; V468-Y470 HydrophobicContact CG1-CE2 3.82Å
469Q28.5Very low33.2Very low151 Ų151127 Ų12771%0.70673%0.734SS**  trans-95.6120.5175.3-167.21722.100109.4
470Y26.7Very low33.3Very low190 Ų190125.1 Ų125.175%0.74572%0.724SS**EExtended strand (participates in β ladder)trans-87.3115.6173.5-77.1-94.9000109.2V468 F475V468-Y470 HydrophobicContact CG1-CD2 4.22Å; V468-Y470 HydrophobicContact CG1-CE2 3.82Å; Y470-F475 HydrophobicContact CE1-CE1 4.36Å
471Q32Very low33.5Very low160 Ų160126.3 Ų126.375%0.74872%0.721SS**EExtended strand (participates in β ladder)trans-119.6134165.6-153.2173.31500107.9G473 S474Q471-G473 PolarHBondContact O-N 3.5Å; Q471-G473 VanDerWaalsContact O-N 3.08Å; Q471-S474 PolarHBondContact O-N 3.11Å
472A32.5Very low33.6Very low111 Ų111125.4 Ų125.492%0.91772%0.717SS**THydrogen-bonded Turntrans-39.6112.1-170.500000113.4
473G37.8Very low33.9Very low89 Ų89121.9 Ų121.992%0.91870%0.701SS**THydrogen-bonded Turntrans87.37.3168.200000117.7Q471Q471-G473 PolarHBondContact O-N 3.5Å; Q471-G473 VanDerWaalsContact O-N 3.08Å
474S32Very low34.9Very low75 Ų75122.2 Ų122.252%0.52470%0.704SS.*EExtended strand (participates in β ladder)trans-147.2125.9176.5-177.20000112.5Q471 V476Q471-S474 PolarHBondContact O-N 3.11Å; S474-V476 PolarHBondContact O-N 3.28Å
475F32.6Very low35.8Very low171 Ų171119.5 Ų119.575%0.7570%0.697SS**EExtended strand (participates in β ladder)trans-83.4106.7171.8-51.2-82.5000109Y470Y470-F475 HydrophobicContact CE1-CE1 4.36Å
476V31.5Very low36.5Very low91 Ų91116.5 Ų116.555%0.55268%0.679SS**  trans-105.7108.5168.8-178.40000108.2S474 E478S474-V476 PolarHBondContact O-N 3.28Å; V476-E478 HydrophobicContact CG1-CG 4.11Å
477T32.8Very low37.2Very low102 Ų102114 Ų11463%0.62667%0.666SS**  trans-94.298.3168.6-28.80000108.3V479T477-V479 PolarHBondContact O-N 2.68Å
478E35.8Very low38.1Very low155 Ų155113.4 Ų113.472%0.72466%0.664SS**  trans-75.5105.3168.3-74.1-164.9160.400109.5V476 N480V476-E478 HydrophobicContact CG1-CG 4.11Å; E478-N480 PolarHBondContact O-N 3.38Å
479V36.4Very low39Very low111 Ų111115.1 Ų115.167%0.67367%0.669SS**  trans-9297166.8-174.70000107.8T477 S481T477-V479 PolarHBondContact O-N 2.68Å; V479-S481 PolarHBondContact O-N 2.98Å; V479-S481 VanDerWaalsContact O-N 3.13Å
480N38.4Very low40Very low128 Ų128111.2 Ų111.268%0.68466%0.656SS**  trans-65.2109.7176.6-136.2-8000108.9E478E478-N480 PolarHBondContact O-N 3.38Å
481S38.4Very low41.1Very low97 Ų97107.3 Ų107.368%0.67864%0.643SS**  trans-11350.8-172.948.60000112V479 N483V479-S481 PolarHBondContact O-N 2.98Å; V479-S481 VanDerWaalsContact O-N 3.13Å; S481-N483 VanDerWaalsContact C-N 3.33Å; S481-N483 PolarHBondContact O-N 2.85Å
482D40.9Very low41.9Very low148 Ų148106.9 Ų106.979%0.79164%0.638SS**  trans-88.874.3168.5-73.9-25.6000110P484D482-P484 VanDerWaalsContact O-CD 3.3Å; D482-P484 WeakPolarHBondContact O-CD 3.3Å
483N44.9Very low42.5Very low97 Ų97106.8 Ų106.852%0.51962%0.622SS.*  trans-97.5104.6164-162.3-15.8000109.5S481 S485 A486S481-N483 VanDerWaalsContact C-N 3.33Å; S481-N483 PolarHBondContact O-N 2.85Å; N483-S485 PolarHBondContact O-N 2.98Å; N483-S485 VanDerWaalsContact O-N 3.11Å; N483-S485 PolarHBondContact OD1-N 3.09Å; N483-S485 PolarHBondContact OD1-OG 2.96Å; N483-A486 PolarHBondContact O-N 2.81Å
484P55.9Low42.6Very low124 Ų124106.5 Ų106.581%0.80561%0.606SS**THydrogen-bonded Turntrans-68.3-4.7-179.726.2-33.2000113.9D482D482-P484 VanDerWaalsContact O-CD 3.3Å; D482-P484 WeakPolarHBondContact O-CD 3.3Å
485S56.2Low43.1Very low95 Ų95113.4 Ų113.466%0.66462%0.62SS**THydrogen-bonded Turntrans-96.8-2.1-178.667.60000115.4N483N483-S485 PolarHBondContact O-N 2.98Å; N483-S485 VanDerWaalsContact O-N 3.11Å; N483-S485 PolarHBondContact OD1-N 3.09Å; N483-S485 PolarHBondContact OD1-OG 2.96Å
486A43.8Very low43.3Very low41 Ų41111.8 Ų111.834%0.33962%0.619SS.*  trans-82.9122.8-17800000112.7N483N483-A486 PolarHBondContact O-N 2.81Å
487S44.6Very low43.4Very low58 Ų58113.3 Ų113.341%0.40662%0.623SS.*  trans-51.4151.817977.80000113.4I489 T490 K491S487-I489 PolarHBondContact O-N 3.4Å; S487-I489 VanDerWaalsContact O-N 3.09Å; S487-T490 PolarHBondContact N-OG1 2.89Å; S487-T490 PolarHBondContact O-N 3.23Å; S487-T490 VanDerWaalsContact O-N 3.11Å; S487-T490 PolarHBondContact O-OG1 2.88Å; S487-T490 PolarHBondContact OG-N 2.94Å; S487-T490 PolarHBondContact OG-OG1 3.28Å; S487-K491 PolarHBondContact O-N 3.07Å
488P50.2Low43.6Very low101 Ų101114.3 Ų114.366%0.65663%0.631SS**THydrogen-bonded Turntrans-62-19.5179.823.8-33.3000113.6K492P488-K492 PolarHBondContact O-N 2.88Å
489I47.5Very low43.4Very low122 Ų122117.5 Ų117.563%0.62664%0.636SS**THydrogen-bonded Turntrans-76.2-42.4176.4-66.6169.6000110.5S487 K491 K492 L493S487-I489 PolarHBondContact O-N 3.4Å; S487-I489 VanDerWaalsContact O-N 3.09Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.1Å; I489-K492 PolarHBondContact O-N 2.86Å; I489-L493 HydrophobicContact CG2-CD1 4.06Å; I489-L493 PolarHBondContact O-N 3.39Å
490T49.3Very low43.2Very low69 Ų69116.1 Ų116.142%0.42364%0.637SS.*Hα-helixtrans-66.3-30.8173.834.30000113.1S487 K492 S494S487-T490 PolarHBondContact N-OG1 2.89Å; S487-T490 PolarHBondContact O-N 3.23Å; S487-T490 VanDerWaalsContact O-N 3.11Å; S487-T490 PolarHBondContact O-OG1 2.88Å; S487-T490 PolarHBondContact OG-N 2.94Å; S487-T490 PolarHBondContact OG-OG1 3.28Å; T490-K492 VanDerWaalsContact C-N 3.34Å; T490-S494 PolarHBondContact O-N 2.97Å; T490-S494 PolarHBondContact O-OG 2.95Å
491K49.3Very low42.9Very low108 Ų108115.8 Ų115.847%0.4764%0.639SS.*Hα-helixtrans-74.1-19.2173.2-71.8-177.2179179.20114.1S487 I489 S494 R495S487-K491 PolarHBondContact O-N 3.07Å; I489-K491 VanDerWaalsContact C-N 3.32Å; I489-K491 PolarHBondContact O-N 3.1Å; K491-S494 PolarHBondContact O-OG 3.13Å; K491-R495 WeakPolarHBondContact O-CG 3.27Å
492K49.2Very low42.6Very low151 Ų151120.4 Ų120.466%0.65765%0.648SS**Hα-helixtrans-89.8-34.4175-79.9-177.4176-177.90112.3P488 I489 T490 R495P488-K492 PolarHBondContact O-N 2.88Å; I489-K492 PolarHBondContact O-N 2.86Å; T490-K492 VanDerWaalsContact C-N 3.34Å; K492-R495 PolarHBondContact O-N 3.21Å
493L44.4Very low42.3Very low109 Ų109119 Ų11957%0.57164%0.644SS**Hα-helixtrans-69.2-35.3174.5-85.8153000112.6I489 R495 L496I489-L493 HydrophobicContact CG2-CD1 4.06Å; I489-L493 PolarHBondContact O-N 3.39Å; L493-R495 PolarHBondContact O-N 3.13Å; L493-L496 PolarHBondContact O-N 3.48Å
494S40.4Very low41.9Very low84 Ų84123 Ų12359%0.58766%0.66SS**THydrogen-bonded Turntrans-71.7-11.217455.70000114.5T490 K491T490-S494 PolarHBondContact O-N 2.97Å; T490-S494 PolarHBondContact O-OG 2.95Å; K491-S494 PolarHBondContact O-OG 3.13Å
495R42.5Very low41Very low219 Ų219125 Ų12583%0.82666%0.658SS**THydrogen-bonded Turntrans-95.6-5.8172.9-71.3-178.8177.4-166.6-1113.5K491 K492 L493K491-R495 WeakPolarHBondContact O-CG 3.27Å; K492-R495 PolarHBondContact O-N 3.21Å; L493-R495 PolarHBondContact O-N 3.13Å
496L36.2Very low40.3Very low137 Ų137129.6 Ų129.672%0.71767%0.669SS**SBendtrans-110.31.2-175.6-87.2159.5000113.8L493 P498L493-L496 PolarHBondContact O-N 3.48Å; L496-P498 WeakPolarHBondContact O-CD 3.5Å
497I34.6Very low40.1Very low124 Ų124135.5 Ų135.564%0.63669%0.692SS**SBendtrans-94.3114.1171.1-57.3172.3000107.2R499I497-R499 PolarHBondContact O-N 3.46Å
498P36.5Very low40.1Very low123 Ų123136.9 Ų136.980%0.79971%0.707SS**  trans-57.1112167.8-17.830.7000107.8L496 A500L496-P498 WeakPolarHBondContact O-CD 3.5Å; P498-A500 PolarHBondContact O-N 3.39Å
499R32.3Very low39.9Very low222 Ų222139.5 Ų139.584%0.83872%0.715SS**  trans-61.2107.4170.8-79179.9150.3146-6.2107.1I497 T501I497-R499 PolarHBondContact O-N 3.46Å; R499-T501 VanDerWaalsContact C-N 3.32Å; R499-T501 PolarHBondContact O-N 3.48Å
500A31.5Very low39.8Very low82 Ų82141.6 Ų141.668%0.67873%0.728SS**  trans-63.598.8165.300000107.2P498 F502P498-A500 PolarHBondContact O-N 3.39Å; A500-F502 PolarHBondContact O-N 3.34Å
501T32.1Very low39.6Very low121 Ų121147 Ų14774%0.74275%0.748SS**  trans-67.2108159.945.80000106.1R499 V503R499-T501 VanDerWaalsContact C-N 3.32Å; R499-T501 PolarHBondContact O-N 3.48Å; T501-V503 PolarHBondContact O-N 3.24Å; T501-V503 VanDerWaalsContact O-N 3.07Å
502F31.6Very low39.3Very low194 Ų194145.9 Ų145.985%0.85176%0.759SS**  trans-61.6108.5168-79.9-96000107.4A500A500-F502 PolarHBondContact O-N 3.34Å
503V35.6Very low38.9Very low119 Ų119147.2 Ų147.272%0.72177%0.767SS**  trans-92.8112.8156.9176.60000103.8T501 E505T501-V503 PolarHBondContact O-N 3.24Å; T501-V503 VanDerWaalsContact O-N 3.07Å; V503-E505 PolarHBondContact O-N 3.03Å
504E35.5Very low38.8Very low181 Ų181149.9 Ų149.985%0.84678%0.778SS**  trans-65.692.9165.2-73.3179.7159.900106.6E506E504-E506 PolarHBondContact O-N 3.43Å
505E38.2Very low38.6Very low165 Ų165154.7 Ų154.777%0.77179%0.789SS**  trans-79.6108.5166.8-165.3166.9-156.500106.7V503 M507V503-E505 PolarHBondContact O-N 3.03Å; E505-M507 VanDerWaalsContact C-N 3.33Å; E505-M507 PolarHBondContact O-N 3.26Å
506E40.8Very low38.4Very low191 Ų191150.7 Ų150.789%0.89379%0.789SS**  trans-57.891.3174.3-169.2176.1-16700109E504 A508E504-E506 PolarHBondContact O-N 3.43Å; E506-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact O-N 3.1Å
507M40.1Very low38.3Very low165 Ų165151.6 Ų151.681%0.81380%0.795SS**  trans-71.6102.5173.9-72.8-91.1-74.600107.9E505 D509E505-M507 VanDerWaalsContact C-N 3.33Å; E505-M507 PolarHBondContact O-N 3.26Å; M507-D509 PolarHBondContact O-N 3.38Å
508A44.9Very low38.5Very low87 Ų87150.3 Ų150.372%0.71980%0.802SS**  trans-54.5123.6167.900000109.7E506 D510E506-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact O-N 3.1Å; A508-D510 PolarHBondContact O-N 2.67Å
509D45.3Very low38.3Very low156 Ų156148.9 Ų148.983%0.83480%0.801SS**  trans-63.7102.8172.3-80.2-42000109.7M507 E511M507-D509 PolarHBondContact O-N 3.38Å; D509-E511 VanDerWaalsContact C-N 3.34Å; D509-E511 PolarHBondContact O-N 3.29Å
510D45.5Very low38.7Very low167 Ų167145.8 Ų145.889%0.89380%0.801SS**  trans-68.294.5163.7-86.5-23.9000108.7A508 A512A508-D510 PolarHBondContact O-N 2.67Å; D510-A512 PolarHBondContact O-N 3.44Å
511E45.2Very low38.8Very low183 Ų183147.3 Ų147.386%0.85581%0.807SS**  trans-57.4130.6173.4-80.6-173.1154.900111.9D509 H513D509-E511 VanDerWaalsContact C-N 3.34Å; D509-E511 PolarHBondContact O-N 3.29Å; E511-H513 PolarHBondContact O-N 3.24Å
512A42.6Very low39.4Very low83 Ų83150.4 Ų150.469%0.68681%0.813SS**  trans-45.8118176.600000114.1D510 M514D510-A512 PolarHBondContact O-N 3.44Å; A512-M514 PolarHBondContact O-N 2.9Å
513H41Very low39.6Very low180 Ų180150.5 Ų150.583%0.83382%0.816SS**  trans-62.185.1148.7-77.1-63000110.3E511E511-H513 PolarHBondContact O-N 3.24Å
514M42.1Very low39.9Very low164 Ų164152.6 Ų152.681%0.80882%0.821SS**  trans-97.7105.4155.7-78.6-153.7-60.100109.2A512 T516A512-M514 PolarHBondContact O-N 2.9Å; M514-T516 PolarHBondContact O-N 3.24Å
515F37.4Very low40.1Very low185 Ų185151.6 Ų151.681%0.81182%0.822SS**  trans-57.5115.7163.9-76-94.6000109.1N517F515-N517 PolarHBondContact O-N 3.44Å
516T36.8Very low39.8Very low135 Ų135153 Ų15383%0.82883%0.826SS**  trans-66108.2160.837.30000108.3M514 A518M514-T516 PolarHBondContact O-N 3.24Å; T516-A518 PolarHBondContact O-N 3.27Å; T516-A518 VanDerWaalsContact O-N 3.16Å
517N35.2Very low39.7Very low157 Ų157149.4 Ų149.484%0.8482%0.819SS**  trans-74.397.1158.5-80.2-26.7000106.8F515 A519F515-N517 PolarHBondContact O-N 3.44Å; N517-A519 PolarHBondContact O-N 3.08Å; N517-A519 VanDerWaalsContact O-N 3.14Å
518A37.4Very low39.5Very low96 Ų96147.9 Ų147.979%0.79381%0.814SS**  trans-66.4103.9160.600000107.5T516T516-A518 PolarHBondContact O-N 3.27Å; T516-A518 VanDerWaalsContact O-N 3.16Å
519A34Very low39.1Very low93 Ų93151 Ų15177%0.76982%0.824SS**  trans-9686.3161.400000106.3N517N517-A519 PolarHBondContact O-N 3.08Å; N517-A519 VanDerWaalsContact O-N 3.14Å
520D39.5Very low38.7Very low157 Ų157154.4 Ų154.484%0.8483%0.825SS**  trans-120.3115.8158-88.1-33.2000107.9
521S34.1Very low38.3Very low114 Ų114155.2 Ų155.280%0.79782%0.823SS**  trans-69.6118.5176.835.20000111.1
522E44.3Very low37.7Very low187 Ų187152.8 Ų152.887%0.87482%0.821SS**  trans-132.5125.2148.8-77.5-166.8163.100110.3
523E35.8Very low37.3Very low195 Ų195154.8 Ų154.891%0.91183%0.825SS**  trans-79.7110.2-177.6172.9-177-168.500109.5
524I41.8Very low36.8Very low163 Ų163156.4 Ų156.484%0.83683%0.825SS**  trans-143129.4164.4-57.8-177.9000110.4
525D39.6Very low36.5Very low160 Ų160154 Ų15486%0.85682%0.821SS**  trans-58.5147.4-171.2-83-50.5000118.2
526F32.6Very low36.3Very low195 Ų195156.2 Ų156.286%0.85583%0.826SS**  trans-64.9164.6168.4-86.4-77.2000112.9
527P39.1Very low36.2Very low115 Ų115158.4 Ų158.475%0.74783%0.827SS**  -156.3170.954.740.8-17.2000120.5
528N36.1Very low35.8Very low134 Ų134155.8 Ų155.872%0.71783%0.827SS**  trans91.285.1139.5-128.7-13.8000119.5
529V36.8Very low35.6Very low151 Ų151158.9 Ų158.992%0.91583%0.83SS**  trans-146.8126.4143.3-172.90000111
530R36.4Very low35.7Very low229 Ų229160.1 Ų160.186%0.86483%0.829SS**  trans-63.7130.2-173.4-65.3172.3164.6179.9-6.5114.1
531Q36.8Very low35.7Very low183 Ų183159.2 Ų159.286%0.85583%0.83SS**  trans-84.5131.9159.1-90178.3-9.600110.4
532T33.3Very low35.7Very low133 Ų133162.4 Ų162.482%0.81683%0.832SS**  trans-106.4122.4164.936.60000108.7
533V33.9Very low35.3Very low124 Ų124160.2 Ų160.275%0.75283%0.826SS**  trans-108.9125.4174.2174.10000107.1
534Y29.8Very low35.3Very low214 Ų214155.1 Ų155.184%0.83981%0.812SS**  trans-106.3131166.1-94.5-85.2000109.4
535P36.6Very low34.8Very low113 Ų113159.1 Ų159.173%0.73482%0.817SS**  trans-88.7140.4171.334.6-28.3000109.9
536Y32.4Very low34.4Very low232 Ų232160.2 Ų160.291%0.9182%0.817SS**  trans-114.3121165.7-114.7-90.2000109.9
537Q33.9Very low34.2Very low182 Ų182157.6 Ų157.685%0.8582%0.817SS**  trans-63.4144.3175.3-77.5166.8-37.100111.9
538A28.4Very low33.8Very low102 Ų102157.7 Ų157.784%0.84382%0.815SS**  trans-84.5128163.300000109.7
539L32.7Very low33.4Very low161 Ų161157.2 Ų157.284%0.84382%0.816SS**  trans-107.2130.9165.3-83.5161.8000108.3
540P35.6Very low33Very low118 Ų118157.8 Ų157.877%0.76681%0.814SS**  trans-89.7131.6171.333.1-26.6000109.8
541T39.7Very low32.7Very low139 Ų139154.8 Ų154.885%0.85381%0.809SS**  trans-132.8118.116143.20000109.5
542H34.8Very low32.4Very low181 Ų181156.7 Ų156.784%0.83881%0.809SS**  trans-46.2139.1154.2-81.4-105.5000109.6
543D35.3Very low32.2Very low141 Ų141161.2 Ų161.275%0.75481%0.811SS**  164.2147.894.2-146.4-12.5000111.5
544S36.4Very low31.9Very low87 Ų87163.7 Ų163.761%0.60881%0.814SS**  trans46107.8150.365.40000121.4
545R30.2Very low32Very low247 Ų247159 Ų15993%0.93281%0.812SS**  45.198.5125.5-63.3-179.3173-175.9-2.2117.5
546Q32.8Very low31.7Very low184 Ų184160.5 Ų160.586%0.8681%0.813SS**  trans-153.6101.4143.6-110.8171.219.900110V548Q546-V548 PolarHBondContact O-N 3Å
547T27.6Very low32Very low139 Ų139154.9 Ų154.985%0.85380%0.804SS**  trans-72.8108.6164.840.80000108.7
548V29.7Very low32Very low117 Ų117153.5 Ų153.571%0.70980%0.803SS**  trans-95.5106.9168.5-178.20000108Q546 L550Q546-V548 PolarHBondContact O-N 3Å; V548-L550 PolarHBondContact O-N 3.13Å
549V28.8Very low32.4Very low124 Ų124155 Ų15575%0.75280%0.802SS**  trans-77.9107.7171.9177.30000108Q551V549-Q551 PolarHBondContact O-N 3.11Å
550L29.1Very low32.7Very low163 Ų163153.7 Ų153.785%0.85380%0.8SS**  trans-82.293.2170.1-88.3157.3000109.5V548 R552V548-L550 PolarHBondContact O-N 3.13Å; L550-R552 PolarHBondContact O-N 3.16Å
551Q30Very low32.7Very low166 Ų166155.7 Ų155.778%0.77680%0.8SS**  trans-75.8103.1172.7-171.1174.27.300109.8V549 R553V549-Q551 PolarHBondContact O-N 3.11Å; Q551-R553 PolarHBondContact O-N 2.99Å
552R29.2Very low32.7Very low224 Ų224154.3 Ų154.385%0.84579%0.793SS**  trans-75.6112.5167.3-88.9-175.8179.1175.30.1109.5L550 H554L550-R552 PolarHBondContact O-N 3.16Å; R552-H554 PolarHBondContact O-N 3.28Å
553R28.5Very low32.7Very low228 Ų228152.6 Ų152.686%0.8679%0.789SS**  trans-73.6117167.7-72.1-178.3162.4-167.5-5.2109.1Q551Q551-R553 PolarHBondContact O-N 2.99Å
554H29Very low32.9Very low176 Ų176155.4 Ų155.482%0.81580%0.795SS**  trans-87.7116.2159.4-68.1-81.6000107.9R552R552-H554 PolarHBondContact O-N 3.28Å
555S31.6Very low33Very low114 Ų114159.6 Ų159.680%0.79780%0.803SS**  trans-103.9110.6165.952.60000108.5
556I30.5Very low33.2Very low146 Ų146158.8 Ų158.875%0.74980%0.8SS**  trans-90.2131.4163.1-61.8167.6000106.1
557P38.3Very low33.5Very low113 Ų113160.3 Ų160.373%0.73480%0.803SS**  trans-87.6110.8163.130.3-24.2000109.6
558D33.6Very low33.8Very low153 Ų153159.5 Ų159.582%0.81880%0.798SS**  trans-68.3119.7155.4-83.5-37.2000108.3
559T37.5Very low34.1Very low134 Ų134165.6 Ų165.682%0.82281%0.808SS**  trans-137.5106.1159.833.70000109.7
560T39.1Very low34.3Very low133 Ų133166.2 Ų166.282%0.81681%0.812SS**  trans-65.4131.3165.444.40000111.7
561E34.7Very low34.3Very low161 Ų161163.8 Ų163.875%0.75281%0.808SS**  trans22.2144.3142.2-72.8-86.9159.500119.5
562P39.3Very low34.4Very low110 Ų110161.9 Ų161.971%0.71481%0.811SS**  -154.415660.638.6-16.4000119.6
563L36.1Very low34.4Very low144 Ų144157.7 Ų157.775%0.75481%0.81SS**  trans32.5111.6139.4-74.8149.7000120.4
564F38.6Very low34.9Very low201 Ų201154.3 Ų154.388%0.88281%0.808SS**  trans-150.8102.3141.3-106.9-80.7000114.4
565K39.5Very low35.4Very low175 Ų175158 Ų15876%0.76183%0.829SS**  trans21.8120.6144.1-66.4173.9179.51720122.4
566R34.3Very low35.6Very low230 Ų230160.2 Ų160.287%0.86883%0.83SS**  55.2125.6125.6-68.5-175.5177.4168.4-0.7121.1
567K38.2Very low35.8Very low216 Ų216160.9 Ų160.994%0.93984%0.835SS**  -153.1113.3123.1-106.5169.3-174.3175.10111.3
568T34.1Very low35.7Very low121 Ų121163.6 Ų163.674%0.74284%0.84SS**  trans-90.2142.1168.337.50000111
569R36.6Very low35.8Very low246 Ų246164.2 Ų164.293%0.92884%0.841SS**  trans-144.296.9152.1-78.9-171.7172.3-175.6-3105.8
570V33.1Very low35.7Very low137 Ų137166.1 Ų166.183%0.8384%0.843SS**  65.6123.689.4-177.50000113.9
571C27.9Very low35.5Very low112 Ų112168.3 Ų168.376%0.75784%0.844SS**  trans-64.4163.9-172.1-56.30000116.9
572C33Very low35.5Very low125 Ų125168.8 Ų168.885%0.84585%0.851SS**  trans-140119.2132.6-82.20000109.4
573V28.9Very low35.2Very low137 Ų137173.3 Ų173.383%0.8386%0.861SS**  trans-102.2134.6151.6167.80000105
574L38.6Very low35.2Very low156 Ų156175.8 Ų175.882%0.81787%0.87SS**  trans-132.5120.6166.2-110.2146.5000106.4
575M39.6Very low34.9Very low253 Ų253173.5 Ų173.5100%1.24687%0.869SS**  trans16.90174.7-65.1-164.4-175.900120.2

Retrieved 575 of 575 residues in 507.7 ms (Link to these results)