A0A087XL57_POEFO Loading...

Coiled-coil domain containing 137

AlphaFold DB , UniProt , Accession A0A087XL57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.4Very low42.3Very low244 Ų244156.4 Ų156.4100%1.20283%0.829SS**  0116.40-72.8-79.1-90.700108.4
2G44.6Very low42.1Very low76 Ų76152.8 Ų152.878%0.78483%0.826SS**  trans69.3107.8173.300000116.4
3K48.7Very low41.5Very low193 Ų193154.2 Ų154.284%0.83982%0.82SS**  cis50.9125.545.3-71.2-168.2-174.7178.20110.7
4N43.6Very low40.9Very low115 Ų115158.2 Ų158.262%0.61582%0.818SS**  cis-176.8143.923.7-89.7-19.5000108.7
5K47.8Very low40.7Very low169 Ų169159.8 Ų159.874%0.73582%0.82SS**  85.1123.7108.3-71.9-176.6176.7-178.30119.5
6T40Very low40.4Very low136 Ų136155.3 Ų155.383%0.83481%0.814SS**  61.2143.1129.165.10000120.2
7G39.9Very low39.9Very low68 Ų68157.2 Ų157.270%0.70182%0.818SS**  cis174.4175.77.400000113.8
8K42.3Very low39.9Very low196 Ų196158.7 Ų158.785%0.85282%0.817SS**  trans51.1106.8141.7-74.2-177.4175.7-178.80119.4
9T41Very low39.4Very low125 Ų125157.9 Ų157.977%0.76782%0.821SS**  63.9128.495.549.30000116.4
10K39.2Very low39.1Very low210 Ų210153.5 Ų153.591%0.91382%0.815SS**  -170.3135.7122.5-101172.1-171.9-172.30112.7
11E37.5Very low39.1Very low188 Ų188155.1 Ų155.188%0.87982%0.818SS**  trans-71.7160.4170.5-57.7170.9125.600112.5
12S40Very low39.1Very low114 Ų114151.2 Ų151.280%0.79780%0.802SS**  180115.4125.4350000108.7
13K34Very low39.2Very low170 Ų170155 Ų15574%0.73980%0.804SS**  70110.783-106.2-171.6178.4168.70115.2
14R34.1Very low38.8Very low211 Ų211150.4 Ų150.480%0.79680%0.796SS**  trans67.4146.7143.3-59.9176.6175.8-170.9-3115.4
15Q38Very low38.9Very low182 Ų182155 Ų15585%0.8581%0.81SS**  cis-150161.735.7-74.6177.5-30.900112
16A35.8Very low38.6Very low88 Ų88156.1 Ų156.173%0.72782%0.815SS**  trans-64.7151.1162.200000111.1
17E30.9Very low38.7Very low187 Ų187159 Ų15987%0.87482%0.816SS**  -179.5160.2118-97.2-175.7-170.400113.1
18K39.9Very low39Very low184 Ų184163.6 Ų163.680%0.882%0.823SS**  trans-57.8152.6-169.3-62.6149.4176.6171.80113.1
19T29.9Very low39.2Very low145 Ų145163.8 Ų163.889%0.8982%0.824SS**  176.9132.1121.327.30000109.7
20G35Very low39Very low69 Ų69161 Ų16171%0.71182%0.82SS**  trans-75.3150.8169.300000110.6
21Q39.3Very low39.4Very low188 Ų188159.4 Ų159.488%0.87982%0.821SS**  trans-160.8122.5151-108.6169.72300110.2
22N39.1Very low39.6Very low162 Ų162153.5 Ų153.587%0.86681%0.81SS**  trans-64.4132.3169-71.4-68.4000110.1
23L47.3Very low40.1Very low155 Ų155157.9 Ų157.981%0.81282%0.815SS**  trans-135.896.3160.2-74.9175.4000111.7
24S40.6Very low40.8Very low96 Ų96155 Ų15567%0.67181%0.813SS**  trans42.1115.9135.262.90000119.9K26S24-K26 PolarHBondContact O-N 3.41Å; S24-K26 VanDerWaalsContact O-N 3.1Å
25K45.6Very low41.5Very low211 Ų211153.5 Ų153.592%0.91781%0.813SS**  trans-53.1105.4159.1-64.5168.7-179.2169.80111.1
26K41.1Very low42.2Very low194 Ų194152.9 Ų152.984%0.84381%0.808SS**  trans-92.2108.4156.8-97.3179.8176.9175.60108.7S24 I28S24-K26 PolarHBondContact O-N 3.41Å; S24-K26 VanDerWaalsContact O-N 3.1Å; K26-I28 PolarHBondContact O-N 3.3Å
27K41.8Very low42.8Very low197 Ų197153.7 Ų153.786%0.85780%0.804SS**  trans-74.1111.9166.3-72.1-170.3178.3-178.10108.1K29K27-K29 PolarHBondContact O-N 3.49Å
28I47.2Very low43.5Very low163 Ų163148.7 Ų148.784%0.83679%0.786SS**  trans-83.7109.2162-63.9171.2000106.1K26K26-I28 PolarHBondContact O-N 3.3Å
29K45.9Very low44.2Very low201 Ų201146.3 Ų146.387%0.87478%0.777SS**  trans-73.3122.2161.3-74.9-177.3175.3-178.50106.6K27K27-K29 PolarHBondContact O-N 3.49Å
30G37.6Very low45.5Very low66 Ų66146 Ų14668%0.6877%0.766SS**  trans-149.398.4173.900000108.4G32G30-G32 PolarHBondContact O-N 2.93Å
31D47.3Very low46.8Very low177 Ų177147.1 Ų147.195%0.94776%0.756SS**  trans-65.2111.1168.1-72.5-61.5000108.8
32G41.7Very low48.2Very low63 Ų63144 Ų14465%0.64974%0.741SS**  trans-171.594.717800000110.2G30 P34G30-G32 PolarHBondContact O-N 2.93Å; G32-P34 WeakPolarHBondContact O-CD 3.27Å
33K49.9Very low49.8Very low206 Ų206138.9 Ų138.990%0.89671%0.713SS**PPolyproline II helixtrans-56.7121172.6-68.3172-179.4171.90108.9K35K33-K35 PolarHBondContact O-N 3.16Å
34P48.9Very low51.3Low109 Ų109137.5 Ų137.571%0.70870%0.703SS**PPolyproline II helixtrans-68.8128169.926.6-30.3000109G32 K36G32-P34 WeakPolarHBondContact O-CD 3.27Å; P34-K36 PolarHBondContact O-N 3.39Å
35K49.3Very low53.2Low180 Ų180140.5 Ų140.578%0.78371%0.706SS**PPolyproline II helixtrans-49119.1171.6-108.1171.5173.5174.30109.3K33 T37K33-K35 PolarHBondContact O-N 3.16Å; K35-T37 PolarHBondContact O-N 2.89Å; K35-T37 VanDerWaalsContact O-N 3.09Å
36K51.4Low55Low170 Ų170132.7 Ų132.774%0.73967%0.673SS**THydrogen-bonded Turntrans-69.83.6179.7-76.2-176.4176-178.80114.7P34P34-K36 PolarHBondContact O-N 3.39Å
37T49.3Very low57.6Low105 Ų105127.9 Ų127.964%0.64466%0.662SS**THydrogen-bonded Turntrans-83.9-13.7-172.152.80000113.9K35K35-T37 PolarHBondContact O-N 2.89Å; K35-T37 VanDerWaalsContact O-N 3.09Å
38T44.9Very low59.8Low82 Ų82125.5 Ų125.550%0.50365%0.652SS.*THydrogen-bonded Turntrans-95.9-22.7-179.8-45.50000112.9E40 H42T38-E40 PolarHBondContact O-N 3.43Å; T38-H42 PolarHBondContact O-CD2 3.34Å; T38-H42 PolarHBondContact O-NE2 3.4Å
39Q54.1Low61.9Low133 Ų133127.2 Ų127.262%0.62165%0.648SS**Hα-helixtrans-71.6-32.2-177-72.5-174-14.100113D41 L43Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 3.21Å; Q39-L43 WeakPolarHBondContact O-CD1 3.34Å
40E57.9Low64Low139 Ų139122 Ų12265%0.6563%0.629SS**Hα-helixtrans-68.2-29.3-179-66.1-172.216800112.6T38 L43 Q44T38-E40 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 2.99Å; E40-Q44 WeakPolarHBondContact O-CG 3.48Å
41D63.2Low66.6Low93 Ų93121.8 Ų121.850%0.49761%0.608SS.*Hα-helixtrans-73.5-38-172.6-139.12.8000112.5Q39 L43 Q44 H45Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 3.21Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.45Å; D41-Q44 PolarHBondContact O-N 3.12Å; D41-H45 PolarHBondContact O-ND1 3.36Å
42H68.6Low68.7Low123 Ų123118.7 Ų118.757%0.56959%0.587SS**Hα-helixtrans-72.2-27.8176.3-53.9-53.8000112.7T38 Q44 H45 I46T38-H42 PolarHBondContact O-CD2 3.34Å; T38-H42 PolarHBondContact O-NE2 3.4Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.06Å; H42-H45 PolarHBondContact O-N 3.32Å; H42-I46 WeakPolarHBondContact O-CG1 3.45Å
43L72.2Confident71.2Confident53 Ų53120.2 Ų120.228%0.27758%0.58SS.*Hα-helixtrans-69.3-26.5176.8-80149.8000112Q39 E40 D41 H45 I46 R51Q39-L43 WeakPolarHBondContact O-CD1 3.34Å; E40-L43 PolarHBondContact O-N 2.99Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.45Å; L43-H45 VanDerWaalsContact C-N 3.33Å; L43-I46 HydrophobicContact CD2-CD1 4.43Å; L43-I46 PolarHBondContact O-N 3.12Å; L43-R51 HydrophobicContact CD2-CG 4.15Å; L43-R51 PolarHBondContact O-NE 3.22Å; L43-R51 PolarHBondContact O-NH2 3.25Å
44Q78.3Confident73.1Confident127 Ų127114.3 Ų114.359%0.59356%0.556SS**Hα-helixtrans-70.2-30179.3-61.6-164.721.200112.9E40 D41 H42 I46 R51E40-Q44 WeakPolarHBondContact O-CG 3.48Å; D41-Q44 PolarHBondContact O-N 3.12Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.06Å; Q44-I46 VanDerWaalsContact C-N 3.35Å; Q44-R51 VanDerWaalsContact C-NH2 3.31Å; Q44-R51 VanDerWaalsContact CA-NH2 3.33Å; Q44-R51 PolarHBondContact O-NH2 3.42Å
45H81.4Confident75.1Confident159 Ų159114.5 Ų114.574%0.73655%0.546SS*.Hα-helixtrans-82-13.9177.2-65.381.1000113.1D41 H42 L43D41-H45 PolarHBondContact O-ND1 3.36Å; H42-H45 PolarHBondContact O-N 3.32Å; L43-H45 VanDerWaalsContact C-N 3.33Å
46I83.4Confident77Confident46 Ų46109.2 Ų109.224%0.23653%0.532CS..SBendtrans-79.6133.1175.3-63.8171.3000109.3H42 L43 Q44 F48 L50 R51H42-I46 WeakPolarHBondContact O-CG1 3.45Å; L43-I46 HydrophobicContact CD2-CD1 4.43Å; L43-I46 PolarHBondContact O-N 3.12Å; Q44-I46 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 2.87Å; I46-L50 HydrophobicContact CG2-CB 3.84Å; I46-L50 HydrophobicContact CG2-CD2 3.95Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; I46-R51 HydrophobicContact CG2-CB 4.46Å; I46-R51 PolarHBondContact O-NH2 3.47Å
47P94.8Very high78.8Confident94 Ų94107.4 Ų107.461%0.6152%0.524SS*.  trans-50.3137.1174.8-28.835000112.8R49 L50 R51P47-R49 VanDerWaalsContact C-N 3.27Å; P47-R49 PolarHBondContact O-N 3.05Å; P47-R49 VanDerWaalsContact O-N 3.1Å; P47-L50 PolarHBondContact O-N 2.9Å; P47-R51 PolarHBondContact O-N 3.37Å
48F89Confident80.6Confident147 Ų147106.4 Ų106.465%0.64552%0.515SS*.Hα-helixtrans-48.2-45.3-171.6177.1-94.7000113.7I46 L50 R51 E52I46-F48 PolarHBondContact O-N 2.87Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 3.44Å; F48-R51 WeakPolarHBondContact O-CB 3.4Å; F48-R51 PolarHBondContact O-N 2.69Å; F48-E52 WeakPolarHBondContact CE1-OE2 3.18Å; F48-E52 PolarHBondContact O-N 3.47Å
49R91.4Very high82.5Confident199 Ų199108.9 Ų108.975%0.75152%0.519SS*.Hα-helixtrans-63.2-38.8-178.5-166.5170.6-174.2168.51.2112.7P47 I53P47-R49 VanDerWaalsContact C-N 3.27Å; P47-R49 PolarHBondContact O-N 3.05Å; P47-R49 VanDerWaalsContact O-N 3.1Å; R49-I53 HydrophobicContact CG-CD1 4.29Å; R49-I53 WeakPolarHBondContact O-CD1 3.33Å; R49-I53 WeakPolarHBondContact O-CG1 3.34Å; R49-I53 PolarHBondContact O-N 3.43Å; R49-I53 VanDerWaalsContact O-N 3.15Å
50L90.4Very high83.6Confident90 Ų90108.4 Ų108.447%0.47152%0.518SS..Hα-helixtrans-73.9-38.3178.3-174.558.8000111I46 P47 F48 E52 I53 M54I46-L50 HydrophobicContact CG2-CB 3.84Å; I46-L50 HydrophobicContact CG2-CD2 3.95Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; P47-L50 PolarHBondContact O-N 2.9Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 3.44Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.9Å; L50-I53 PolarHBondContact O-N 3.04Å; L50-M54 HydrophobicContact CG-SD 4.38Å; L50-M54 VanDerWaalsContact O-CG 3.31Å; L50-M54 WeakPolarHBondContact O-CG 3.4Å; L50-M54 PolarHBondContact O-N 2.88Å
51R91.7Very high84.8Confident62 Ų62107.6 Ų107.623%0.23451%0.512CS..Hα-helixtrans-57.2-44.2172.7-174.4-168.4-53.5177.59.2111.7L43 Q44 I46 P47 F48 K55L43-R51 HydrophobicContact CD2-CG 4.15Å; L43-R51 PolarHBondContact O-NE 3.22Å; L43-R51 PolarHBondContact O-NH2 3.25Å; Q44-R51 VanDerWaalsContact C-NH2 3.31Å; Q44-R51 VanDerWaalsContact CA-NH2 3.33Å; Q44-R51 PolarHBondContact O-NH2 3.42Å; I46-R51 HydrophobicContact CG2-CB 4.46Å; I46-R51 PolarHBondContact O-NH2 3.47Å; P47-R51 PolarHBondContact O-N 3.37Å; F48-R51 WeakPolarHBondContact O-CB 3.4Å; F48-R51 PolarHBondContact O-N 2.69Å; R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 3.2Å
52E91.5Very high85.4Confident112 Ų112108.7 Ų108.752%0.52352%0.518SS..Hα-helixtrans-68-42.8179.7-169.8175.9-165.100112.3F48 L50 M54 K55 S56F48-E52 WeakPolarHBondContact CE1-OE2 3.18Å; F48-E52 PolarHBondContact O-N 3.47Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.9Å; E52-M54 PolarHBondContact O-N 3.23Å; E52-K55 PolarHBondContact O-N 2.9Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.04Å
53I93.4Very high85.2Confident95 Ų95109 Ų10949%0.48752%0.52SS..Hα-helixtrans-61.2-44.5175.6-68.3164.3000111R49 L50 S56 K57R49-I53 HydrophobicContact CG-CD1 4.29Å; R49-I53 WeakPolarHBondContact O-CD1 3.33Å; R49-I53 WeakPolarHBondContact O-CG1 3.34Å; R49-I53 PolarHBondContact O-N 3.43Å; R49-I53 VanDerWaalsContact O-N 3.15Å; L50-I53 PolarHBondContact O-N 3.04Å; I53-S56 PolarHBondContact O-N 3.41Å; I53-K57 WeakPolarHBondContact O-CB 3.44Å; I53-K57 PolarHBondContact O-N 3.5Å
54M90.5Very high84.6Confident82 Ų82110.7 Ų110.740%0.40454%0.536SS..Hα-helixtrans-62.5-47.9177.1-70.9179.671.500111.3L50 E52 S56 K57 D58L50-M54 HydrophobicContact CG-SD 4.38Å; L50-M54 VanDerWaalsContact O-CG 3.31Å; L50-M54 WeakPolarHBondContact O-CG 3.4Å; L50-M54 PolarHBondContact O-N 2.88Å; E52-M54 PolarHBondContact O-N 3.23Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 2.96Å; M54-K57 PolarHBondContact O-N 2.91Å; M54-D58 PolarHBondContact O-N 2.78Å
55K90.4Very high83.6Confident114 Ų114111.6 Ų111.650%0.49654%0.544SS..Hα-helixtrans-57.8-42.4175.9-77-177.6177.1-171.20112.5R51 E52 K59R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 2.9Å; K55-K59 VanDerWaalsContact O-CG 3.3Å; K55-K59 WeakPolarHBondContact O-CG 3.41Å; K55-K59 PolarHBondContact O-N 3.38Å; K55-K59 VanDerWaalsContact O-N 3.14Å
56S89.4Confident82.3Confident69 Ų69106.2 Ų106.248%0.48353%0.532SS..Hα-helixtrans-64.9-43.2177.1-179.80000111.6E52 I53 M54 D58 K59 M60E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.04Å; I53-S56 PolarHBondContact O-N 3.41Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 2.96Å; S56-D58 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.41Å; S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.87Å; S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.21Å
57K90Very high80.9Confident132 Ų132105.8 Ų105.857%0.57454%0.538SS*.Hα-helixtrans-63.4-37.6178.6-167173-1781800112.6I53 M54 K61I53-K57 WeakPolarHBondContact O-CB 3.44Å; I53-K57 PolarHBondContact O-N 3.5Å; M54-K57 PolarHBondContact O-N 2.91Å; K57-K61 WeakPolarHBondContact O-CG 3.32Å; K57-K61 PolarHBondContact O-N 3.24Å
58D85.6Confident79.1Confident83 Ų83110.7 Ų110.744%0.44455%0.55SS..Hα-helixtrans-70.3-38.7176.4-67.7-26.6000112M54 S56 K61 N62M54-D58 PolarHBondContact O-N 2.78Å; S56-D58 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.41Å; D58-K61 PolarHBondContact O-N 2.83Å; D58-N62 WeakPolarHBondContact O-CB 3.29Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 3.48Å; D58-N62 VanDerWaalsContact O-ND2 3.14Å
59K85.3Confident77.3Confident135 Ų135112.8 Ų112.859%0.58756%0.559SS**Hα-helixtrans-59-48.4172-70.8173.6-178.9-169.90111.4K55 S56 K61 N62 E63K55-K59 VanDerWaalsContact O-CG 3.3Å; K55-K59 WeakPolarHBondContact O-CG 3.41Å; K55-K59 PolarHBondContact O-N 3.38Å; K55-K59 VanDerWaalsContact O-N 3.14Å; S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.87Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K59-K61 PolarHBondContact O-N 2.93Å; K59-N62 PolarHBondContact O-N 3.14Å; K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.4Å; K59-E63 PolarHBondContact O-N 3Å
60M78Confident75.5Confident122 Ų122109.5 Ų109.560%0.60156%0.555SS**Hα-helixtrans-60.8-39.6177.7-68.5-65.5-63.700112.7S56 S64S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.21Å; M60-S64 PolarHBondContact O-N 2.93Å; M60-S64 VanDerWaalsContact O-N 3.16Å
61K82.8Confident73.6Confident122 Ų122113.6 Ų113.653%0.5357%0.569SS.*Hα-helixtrans-64.7-43.3175.6-80.7-178.8173.6-174.80111.9K57 D58 K59 S64K57-K61 WeakPolarHBondContact O-CG 3.32Å; K57-K61 PolarHBondContact O-N 3.24Å; D58-K61 PolarHBondContact O-N 2.83Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K59-K61 PolarHBondContact O-N 2.93Å; K61-S64 PolarHBondContact O-N 3.06Å; K61-S64 PolarHBondContact O-OG 3.04Å
62N74.4Confident71.6Confident116 Ų116119 Ų11962%0.6260%0.595SS**Hα-helixtrans-71.3-37-178.9-66.8-27.9000112.4D58 K59 S64 L65D58-N62 WeakPolarHBondContact O-CB 3.29Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 3.48Å; D58-N62 VanDerWaalsContact O-ND2 3.14Å; K59-N62 PolarHBondContact O-N 3.14Å; N62-S64 VanDerWaalsContact C-N 3.34Å; N62-S64 PolarHBondContact O-N 3.23Å; N62-L65 PolarHBondContact O-N 3.27Å
63E64.9Low69.4Low130 Ų130117.6 Ų117.661%0.60760%0.602SS**Hα-helixtrans-64.3-36.9174.7-75.6168-167.600112.2K59 L65 G66K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.4Å; K59-E63 PolarHBondContact O-N 3Å; E63-L65 PolarHBondContact O-N 3.1Å; E63-G66 PolarHBondContact O-N 3.16Å
64S59.8Low67.3Low88 Ų88120.3 Ų120.362%0.61562%0.617SS**Hα-helixtrans-63.4-24.1178.477.10000114.1M60 K61 N62M60-S64 PolarHBondContact O-N 2.93Å; M60-S64 VanDerWaalsContact O-N 3.16Å; K61-S64 PolarHBondContact O-N 3.06Å; K61-S64 PolarHBondContact O-OG 3.04Å; N62-S64 VanDerWaalsContact C-N 3.34Å; N62-S64 PolarHBondContact O-N 3.23Å
65L57.8Low65.2Low147 Ų147121.1 Ų121.177%0.7763%0.63SS**THydrogen-bonded Turntrans-83.5-12.8-179.8-63.4174.2000113.3N62 E63N62-L65 PolarHBondContact O-N 3.27Å; E63-L65 PolarHBondContact O-N 3.1Å
66G54.1Low63.3Low46 Ų46122.9 Ų122.947%0.47464%0.644SS.*THydrogen-bonded Turntrans-93-10.817900000115.7E63 K68E63-G66 PolarHBondContact O-N 3.16Å; G66-K68 VanDerWaalsContact C-N 3.29Å; G66-K68 PolarHBondContact O-N 2.87Å; G66-K68 VanDerWaalsContact O-N 3.14Å
67G54.6Low61.3Low36 Ų36127.8 Ų127.837%0.37166%0.659SS.*Hα-helixtrans-70.1-10-167.800000117
68K55.6Low59.2Low198 Ų198127.2 Ų127.286%0.86167%0.672SS**Hα-helixtrans-77.4-22.1-177.1-71.6-177.2179.7179.30114.1G66G66-K68 VanDerWaalsContact C-N 3.29Å; G66-K68 PolarHBondContact O-N 2.87Å; G66-K68 VanDerWaalsContact O-N 3.14Å
69K52.1Low57.5Low190 Ų190132.1 Ų132.183%0.82669%0.689SS**Hα-helixtrans-88.7-26-179.3-66.6-166.1178.9-174.40113.8
70L53.5Low55.6Low131 Ų131131.6 Ų131.669%0.68670%0.7SS**Hα-helixtrans-79.6-27.1-178.8-74.3163.9000113.4K72 A73L70-K72 PolarHBondContact O-N 2.99Å; L70-A73 PolarHBondContact O-N 3.22Å
71K50.7Low54.2Low175 Ų175132.6 Ų132.676%0.76171%0.708SS**THydrogen-bonded Turntrans-67-19.6177.5-71.6-165174.7-168.30114.2
72K49.4Very low53Low177 Ų177134.5 Ų134.577%0.7772%0.724SS**THydrogen-bonded Turntrans-83.1-20.1-178.6-137.8175.4-175-177.70113.3L70L70-K72 PolarHBondContact O-N 2.99Å
73A45.5Very low51.8Low81 Ų81132.6 Ų132.667%0.66972%0.724SS**THydrogen-bonded Turntrans-86.1-21.5179.700000113.5L70L70-A73 PolarHBondContact O-N 3.22Å
74L48Very low51.3Low153 Ų153133 Ų13380%0.80173%0.73SS**SBendtrans-90.9-6.1-179.6-70.1165.1000113.8
75S47.8Very low51.3Low98 Ų98137.4 Ų137.469%0.68575%0.746SS**SBendtrans-921.3-174.1-175.10000114.5
76L49.2Very low51.6Low151 Ų151132 Ų13279%0.79173%0.726SS**SBendtrans-11119-169.7-74.8176.2000115.3
77Q49.1Very low52.7Low172 Ų172134.8 Ų134.880%0.80473%0.73SS**SBendtrans-129.3123.1177.3-70.6-91.2-23.600110.7
78S45.7Very low54Low120 Ų120134.7 Ų134.784%0.83972%0.721SS**  trans79.9123.4167.773.90000118.6
79K48.2Very low55.3Low186 Ų186129 Ų12981%0.80971%0.711SS**  trans-66.2147164.2-64.9-175.9175.1-175.10109.2N81K79-N81 PolarHBondContact O-N 3.24Å
80P45.7Very low56.7Low125 Ų125125.9 Ų125.981%0.81271%0.708SS**  trans-79.9110.9176.332.7-28.8000108.4
81N49.9Very low58.2Low142 Ų142121.6 Ų121.676%0.75969%0.687SS**  trans-117.9111.1160-80.7-32.1000106.6K79 A83K79-N81 PolarHBondContact O-N 3.24Å; N81-A83 PolarHBondContact O-N 2.97Å
82D55.9Low60Low162 Ų162124.7 Ų124.787%0.86669%0.694SS**  trans41.852.7157.6-56.2-28.5000117.6L84D82-L84 PolarHBondContact O-N 3.11Å
83A51.3Low61.7Low76 Ų76119.2 Ų119.263%0.62867%0.671SS**  trans-84.9102.2160.500000108.1N81 D85N81-A83 PolarHBondContact O-N 2.97Å; A83-D85 PolarHBondContact O-N 3.28Å
84L54Low63.8Low140 Ų140125.5 Ų125.573%0.73368%0.677SS**  trans-54.7136.7162.2-66.3177.2000108.3D82 G86 D87D82-L84 PolarHBondContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.11Å; L84-D87 PolarHBondContact O-N 3.28Å
85D59.7Low65.9Low179 Ų179123.9 Ų123.996%0.95766%0.663SS**THydrogen-bonded Turntrans-56.298.8-166.9-160.417.8000111.5A83A83-D85 PolarHBondContact O-N 3.28Å
86G64.4Low67.8Low34 Ų34120.6 Ų120.635%0.35165%0.646SS.*THydrogen-bonded Turntrans126.6-9174.100000117.3L84 Q122 R125L84-G86 PolarHBondContact O-N 3.11Å; G86-Q122 PolarHBondContact O-NE2 3.36Å; G86-Q122 VanDerWaalsContact O-NE2 3.13Å; G86-R125 PolarHBondContact O-NH2 3.05Å
87D76.9Confident69.7Low105 Ų105124.1 Ų124.156%0.56165%0.654SS**PPolyproline II helixtrans-88.6137.5-179.2-77.1-11.8000112.8L84 A89 R125L84-D87 PolarHBondContact O-N 3.28Å; D87-A89 PolarHBondContact O-N 3.36Å; D87-R125 IonicContact OD1-NH1 3.37Å
88I81.2Confident71.7Confident34 Ų34123 Ų12317%0.17466%0.659CS.*PPolyproline II helixtrans-72.7118.3-179.3-57.2167.6000108.2V90 V115 L118 T119 Q122I88-V90 PolarHBondContact O-N 3.02Å; I88-V115 HydrophobicContact CG2-CG1 4.04Å; I88-V115 HydrophobicContact CG2-CG2 4.34Å; I88-L118 HydrophobicContact CD1-CB 3.73Å; I88-L118 HydrophobicContact CG1-CB 4.08Å; I88-L118 HydrophobicContact CG2-CB 4.23Å; I88-L118 HydrophobicContact CG2-CD1 4.03Å; I88-T119 VanDerWaalsContact CD1-CA 3.41Å; I88-T119 VanDerWaalsContact CD1-OG1 3.26Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.43Å; I88-Q122 HydrophobicContact CD1-CG 4.1Å
89A82.9Confident73.9Confident79 Ų79118.9 Ų118.965%0.65363%0.627SS**PPolyproline II helixtrans-59.9120.7176.400000110.6D87 P91D87-A89 PolarHBondContact O-N 3.36Å; A89-P91 VanDerWaalsContact O-CD 3.26Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å
90V82.6Confident76.2Confident124 Ų124113.6 Ų113.675%0.75261%0.614SS**  trans-81.2114.3178.41800000109.5I88I88-V90 PolarHBondContact O-N 3.02Å
91P84.9Confident78.4Confident40 Ų40112.1 Ų112.126%0.2660%0.602SS.*  trans-67.3136.1179.8-18.933000111.7A89 F93 E111 V115A89-P91 VanDerWaalsContact O-CD 3.26Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-F93 HydrophobicContact CB-CE1 4.15Å; P91-F93 HydrophobicContact CB-CE2 4.18Å; P91-F93 HydrophobicContact CB-CZ 3.81Å; P91-F93 HydrophobicContact CG-CZ 4.34Å; P91-E111 VanDerWaalsContact CB-OE2 3.24Å; P91-E111 WeakPolarHBondContact CB-OE2 3.48Å; P91-E111 HydrophobicContact CG-CB 4.36Å; P91-V115 HydrophobicContact CG-CG2 3.8Å
92R87.1Confident80.6Confident240 Ų240107.5 Ų107.591%0.90659%0.587SS**  trans-98.7102.6174.2-66.1-174.4-179.9-160.70.3109.2R94R92-R94 PolarHBondContact O-N 3.23Å
93F86.1Confident82.4Confident62 Ų62101.9 Ų101.927%0.27256%0.564SS.*  trans-77.6123.1-178.4-59.4-71.8000112.1P91 Y104 M108 E111P91-F93 HydrophobicContact CB-CE1 4.15Å; P91-F93 HydrophobicContact CB-CE2 4.18Å; P91-F93 HydrophobicContact CB-CZ 3.81Å; P91-F93 HydrophobicContact CG-CZ 4.34Å; F93-Y104 HydrophobicContact CB-CE2 4.21Å; F93-Y104 WeakPolarHBondContact CB-OH 3.21Å; F93-M108 HydrophobicContact CD1-CB 4.07Å; F93-M108 HydrophobicContact CD1-CG 4.03Å; F93-M108 HydrophobicContact CD2-CG 4.01Å; F93-M108 HydrophobicContact CE1-CB 4.11Å; F93-M108 HydrophobicContact CE1-CG 4.08Å; F93-M108 HydrophobicContact CE2-CG 4.07Å; F93-M108 HydrophobicContact CG-CB 4.47Å; F93-M108 HydrophobicContact CG-CG 3.99Å; F93-M108 HydrophobicContact CZ-CG 4.1Å; F93-E111 HydrophobicContact CE1-CB 3.63Å; F93-E111 HydrophobicContact CE1-CG 4.17Å; F93-E111 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E111 HydrophobicContact CZ-CB 3.62Å
94R89.8Confident84.5Confident213 Ų213100.9 Ų100.980%0.80454%0.544SS*.  trans-135.7144.9167.6-68.8-171.2172.7-169.1-2.6109.5R92 G96 R107R92-R94 PolarHBondContact O-N 3.23Å; R94-G96 PolarHBondContact O-N 2.97Å; R94-R107 PolarHBondContact O-NH2 3.43Å
95K90.7Very high86.4Confident119 Ų11997.3 Ų97.352%0.51753%0.528SS..  trans-72.8123.4178.1-165.7-171.5171.9-172.60110.4E99 Y104K95-E99 WeakPolarHBondContact CA-OE1 3.45Å; K95-E99 HydrophobicContact CD-CG 4.49Å; K95-E99 WeakPolarHBondContact CE-O 3.41Å; K95-E99 HydrophobicContact CG-CG 3.62Å; K95-E99 WeakPolarHBondContact CG-OE1 3.42Å; K95-Y104 HydrophobicContact CB-CD2 4.24Å; K95-Y104 HydrophobicContact CB-CE2 4.43Å; K95-Y104 HydrophobicContact CG-CD2 4.39Å; K95-Y104 HydrophobicContact CG-CG 4.34Å
96G87.8Confident88.1Confident30 Ų3097.4 Ų97.431%0.30952%0.515SS..  trans-63.9152.8171.900000112.5R94 T98 E99R94-G96 PolarHBondContact O-N 2.97Å; G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.9Å; G96-E99 PolarHBondContact N-OE1 3.12Å; G96-E99 PolarHBondContact N-OE2 3.02Å; G96-E99 WeakPolarHBondContact O-CG 3.17Å
97K90.6Very high89.5Confident224 Ų22499.4 Ų99.497%0.97451%0.512SS*.THydrogen-bonded Turntrans-64-30.9-176.9-64.1-179.6-179.9-177.30113.3
98T91.4Very high90.3Very high148 Ų14897.6 Ų97.691%0.90850%0.501SS*.THydrogen-bonded Turntrans-110.23.7-173.452.90000113.6G96G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.9Å
99E91.5Very high90.9Very high35 Ų35100.6 Ų100.616%0.16451%0.514CS..  trans-90.9142-176.476.9-169.2-166.600112.7K95 G96 Y104 R107K95-E99 WeakPolarHBondContact CA-OE1 3.45Å; K95-E99 HydrophobicContact CD-CG 4.49Å; K95-E99 WeakPolarHBondContact CE-O 3.41Å; K95-E99 HydrophobicContact CG-CG 3.62Å; K95-E99 WeakPolarHBondContact CG-OE1 3.42Å; G96-E99 PolarHBondContact N-OE1 3.12Å; G96-E99 PolarHBondContact N-OE2 3.02Å; G96-E99 WeakPolarHBondContact O-CG 3.17Å; E99-Y104 WeakPolarHBondContact OE1-CB 3.26Å; E99-Y104 WeakPolarHBondContact OE1-CD2 3.47Å; E99-R107 VanDerWaalsContact CD-NH2 3.28Å; E99-R107 IonicContact OE1-CZ 3.09Å; E99-R107 IonicContact OE1-NH1 3.42Å; E99-R107 IonicContact OE1-NH2 3.44Å; E99-R107 PolarHBondContact OE1-NH2 3.09Å; E99-R107 IonicContact OE2-CZ 3.77Å; E99-R107 IonicContact OE2-NH1 2.71Å; E99-R107 PolarHBondContact OE2-NH1 3.35Å; E99-R107 IonicContact OE2-NH2 3.53Å; E99-R107 PolarHBondContact OE2-NH2 3.39Å
100S94.9Very high91.5Very high75 Ų75101.7 Ų101.752%0.52451%0.509SS..  trans-71.4156.3170.370.80000110.6G102 A103 Y104S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 3.01Å; S100-A103 PolarHBondContact O-N 3.42Å; S100-A103 WeakPolarHBondContact OG-CB 3.42Å; S100-A103 PolarHBondContact OG-N 3.14Å; S100-Y104 PolarHBondContact O-N 2.87Å; S100-Y104 VanDerWaalsContact O-N 3.09Å
101V92.8Very high92Very high94 Ų9498.8 Ų98.857%0.5749%0.487SS*.Hα-helixtrans-58.9-42178.31780000110.9A103 Y104 V105V101-A103 PolarHBondContact O-N 3.16Å; V101-Y104 WeakPolarHBondContact O-CB 3.18Å; V101-Y104 PolarHBondContact O-N 3.2Å; V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.03Å; V101-V105 VanDerWaalsContact O-N 3.1Å
102G95.6Very high92.3Very high44 Ų44100.4 Ų100.445%0.45450%0.496SS..Hα-helixtrans-64.3-37.1177.600000113.5S100 R106S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 3.01Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 2.85Å; G102-R106 VanDerWaalsContact O-N 3.11Å
103A94Very high92.6Very high44 Ų4494.1 Ų94.136%0.36448%0.477SS..Hα-helixtrans-68.1-37.9176.500000112.2S100 V101 R107S100-A103 PolarHBondContact O-N 3.42Å; S100-A103 WeakPolarHBondContact OG-CB 3.42Å; S100-A103 PolarHBondContact OG-N 3.14Å; V101-A103 PolarHBondContact O-N 3.16Å; A103-R107 PolarHBondContact O-N 2.76Å
104Y94.7Very high92.9Very high55 Ų5596.5 Ų96.522%0.21649%0.489CS..Hα-helixtrans-59.6-51.1173.3173.2-109.5000111.9F93 K95 E99 S100 V101 R106 R107 M108F93-Y104 HydrophobicContact CB-CE2 4.21Å; F93-Y104 WeakPolarHBondContact CB-OH 3.21Å; K95-Y104 HydrophobicContact CB-CD2 4.24Å; K95-Y104 HydrophobicContact CB-CE2 4.43Å; K95-Y104 HydrophobicContact CG-CD2 4.39Å; K95-Y104 HydrophobicContact CG-CG 4.34Å; E99-Y104 WeakPolarHBondContact OE1-CB 3.26Å; E99-Y104 WeakPolarHBondContact OE1-CD2 3.47Å; S100-Y104 PolarHBondContact O-N 2.87Å; S100-Y104 VanDerWaalsContact O-N 3.09Å; V101-Y104 WeakPolarHBondContact O-CB 3.18Å; V101-Y104 PolarHBondContact O-N 3.2Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.95Å; Y104-R107 PolarHBondContact O-N 2.75Å; Y104-M108 PolarHBondContact O-N 3.21Å
105V95.3Very high93Very high66 Ų6688 Ų8840%0.446%0.46SS..Hα-helixtrans-60.8-43.5-178.7174.40000111.1V101 R107 M108 E109V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.03Å; V101-V105 VanDerWaalsContact O-N 3.1Å; V105-R107 PolarHBondContact O-N 3.37Å; V105-M108 WeakPolarHBondContact O-CB 3.5Å; V105-M108 PolarHBondContact O-N 3Å; V105-E109 WeakPolarHBondContact O-CB 3.46Å; V105-E109 PolarHBondContact O-N 3.4Å
106R94.9Very high93Very high180 Ų18087 Ų8768%0.67946%0.46SS*.Hα-helixtrans-62.6-41.2176.7-73.1178.3-178.9-172.71112.8G102 Y104 E109 N110G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 2.85Å; G102-R106 VanDerWaalsContact O-N 3.11Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.95Å; R106-E109 PolarHBondContact O-N 2.96Å; R106-N110 WeakPolarHBondContact O-CB 3.47Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 PolarHBondContact O-ND2 3.36Å
107R94.1Very high93.2Very high76 Ų7691.5 Ų91.529%0.28747%0.472SS..Hα-helixtrans-62.2-46.7175.4180177.164.1-109.98.2110.7R94 E99 A103 Y104 V105 E109 N110 E111R94-R107 PolarHBondContact O-NH2 3.43Å; E99-R107 VanDerWaalsContact CD-NH2 3.28Å; E99-R107 IonicContact OE1-CZ 3.09Å; E99-R107 IonicContact OE1-NH1 3.42Å; E99-R107 IonicContact OE1-NH2 3.44Å; E99-R107 PolarHBondContact OE1-NH2 3.09Å; E99-R107 IonicContact OE2-CZ 3.77Å; E99-R107 IonicContact OE2-NH1 2.71Å; E99-R107 PolarHBondContact OE2-NH1 3.35Å; E99-R107 IonicContact OE2-NH2 3.53Å; E99-R107 PolarHBondContact OE2-NH2 3.39Å; A103-R107 PolarHBondContact O-N 2.76Å; Y104-R107 PolarHBondContact O-N 2.75Å; V105-R107 PolarHBondContact O-N 3.37Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.16Å; R107-N110 PolarHBondContact O-N 3.24Å; R107-E111 WeakPolarHBondContact CD-OE1 3.48Å; R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.47Å; R107-E111 WeakPolarHBondContact O-CB 3.49Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.1Å
108M93.8Very high93.2Very high67 Ų6783.8 Ų83.833%0.3344%0.441SS..Hα-helixtrans-58.7-45.5178.4-174.2-159.571.200111.6F93 Y104 V105 T112F93-M108 HydrophobicContact CD1-CB 4.07Å; F93-M108 HydrophobicContact CD1-CG 4.03Å; F93-M108 HydrophobicContact CD2-CG 4.01Å; F93-M108 HydrophobicContact CE1-CB 4.11Å; F93-M108 HydrophobicContact CE1-CG 4.08Å; F93-M108 HydrophobicContact CE2-CG 4.07Å; F93-M108 HydrophobicContact CG-CB 4.47Å; F93-M108 HydrophobicContact CG-CG 3.99Å; F93-M108 HydrophobicContact CZ-CG 4.1Å; Y104-M108 PolarHBondContact O-N 3.21Å; V105-M108 WeakPolarHBondContact O-CB 3.5Å; V105-M108 PolarHBondContact O-N 3Å; M108-T112 VanDerWaalsContact O-CB 3.27Å; M108-T112 WeakPolarHBondContact O-CB 3.3Å; M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.17Å
109E94.6Very high92.9Very high98 Ų9880.1 Ų80.146%0.45842%0.418SS..Hα-helixtrans-62.3-48.1177.9-175.1171.3-16000112V105 R106 R107 E111 T112 Q113V105-E109 WeakPolarHBondContact O-CB 3.46Å; V105-E109 PolarHBondContact O-N 3.4Å; R106-E109 PolarHBondContact O-N 2.96Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.16Å; E109-E111 PolarHBondContact O-N 2.98Å; E109-T112 PolarHBondContact O-N 2.82Å; E109-Q113 WeakPolarHBondContact O-CB 3.48Å; E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.42Å
110N93.8Very high92.7Very high102 Ų10283.9 Ų83.955%0.54544%0.44SS..Hα-helixtrans-61.5-45.7179.3-69-17.4000112.4R106 R107 T112 Q113 H114R106-N110 WeakPolarHBondContact O-CB 3.47Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 PolarHBondContact O-ND2 3.36Å; R107-N110 PolarHBondContact O-N 3.24Å; N110-T112 VanDerWaalsContact C-N 3.34Å; N110-Q113 PolarHBondContact O-N 3.46Å; N110-H114 WeakPolarHBondContact O-CB 3.45Å; N110-H114 PolarHBondContact O-N 2.92Å
111E93Very high92.2Very high63 Ų6385.3 Ų85.329%0.29444%0.441SS..Hα-helixtrans-66.9-37.2178.4-74.4179.1-151.100111.3P91 F93 R107 E109 H114 V115P91-E111 VanDerWaalsContact CB-OE2 3.24Å; P91-E111 WeakPolarHBondContact CB-OE2 3.48Å; P91-E111 HydrophobicContact CG-CB 4.36Å; F93-E111 HydrophobicContact CE1-CB 3.63Å; F93-E111 HydrophobicContact CE1-CG 4.17Å; F93-E111 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E111 HydrophobicContact CZ-CB 3.62Å; R107-E111 WeakPolarHBondContact CD-OE1 3.48Å; R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.47Å; R107-E111 WeakPolarHBondContact O-CB 3.49Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.1Å; E109-E111 PolarHBondContact O-N 2.98Å; E111-H114 PolarHBondContact O-N 3.28Å; E111-V115 WeakPolarHBondContact O-CG2 3.39Å; E111-V115 PolarHBondContact O-N 3.06Å
112T92.9Very high91.5Very high73 Ų7384.1 Ų84.145%0.44843%0.429SS..Hα-helixtrans-64.4-46.1175.2-58.30000111.4M108 E109 N110 H114 V115 L116M108-T112 VanDerWaalsContact O-CB 3.27Å; M108-T112 WeakPolarHBondContact O-CB 3.3Å; M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.17Å; E109-T112 PolarHBondContact O-N 2.82Å; N110-T112 VanDerWaalsContact C-N 3.34Å; T112-H114 VanDerWaalsContact C-N 3.28Å; T112-H114 PolarHBondContact O-N 3.49Å; T112-V115 PolarHBondContact O-N 2.97Å; T112-L116 WeakPolarHBondContact O-CB 3.2Å; T112-L116 PolarHBondContact O-N 3.36Å
113Q93.4Very high90.3Very high109 Ų10986.9 Ų86.951%0.50944%0.437SS..Hα-helixtrans-60.9-39.6175-731781.800111.6E109 N110 L116 F117E109-Q113 WeakPolarHBondContact O-CB 3.48Å; E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.42Å; N110-Q113 PolarHBondContact O-N 3.46Å; Q113-L116 PolarHBondContact O-N 2.95Å; Q113-F117 WeakPolarHBondContact O-CB 3.49Å; Q113-F117 PolarHBondContact O-N 3.45Å
114H91.4Very high89.1Confident112 Ų11292 Ų9252%0.51945%0.454SS..Hα-helixtrans-66.2-45.9177.8179.2-111.8000112.3N110 E111 T112 F117 L118N110-H114 WeakPolarHBondContact O-CB 3.45Å; N110-H114 PolarHBondContact O-N 2.92Å; E111-H114 PolarHBondContact O-N 3.28Å; T112-H114 VanDerWaalsContact C-N 3.28Å; T112-H114 PolarHBondContact O-N 3.49Å; H114-F117 WeakPolarHBondContact O-CB 3.43Å; H114-F117 PolarHBondContact O-N 3.19Å; H114-L118 WeakPolarHBondContact O-CG 3.37Å; H114-L118 PolarHBondContact O-N 2.88Å
115V91.4Very high87.9Confident33 Ų3395.4 Ų95.420%0.247%0.466CS..Hα-helixtrans-61-46.6174.7169.50000110.5I88 P91 E111 T112 F117 L118 T119I88-V115 HydrophobicContact CG2-CG1 4.04Å; I88-V115 HydrophobicContact CG2-CG2 4.34Å; P91-V115 HydrophobicContact CG-CG2 3.8Å; E111-V115 WeakPolarHBondContact O-CG2 3.39Å; E111-V115 PolarHBondContact O-N 3.06Å; T112-V115 PolarHBondContact O-N 2.97Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 3.33Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-L118 VanDerWaalsContact O-N 3.13Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.01Å
116L91.3Very high86.6Confident98 Ų9897.6 Ų97.651%0.51347%0.47SS..Hα-helixtrans-59-42.6177-179.561.6000111.9T112 Q113 T119 N120T112-L116 WeakPolarHBondContact O-CB 3.2Å; T112-L116 PolarHBondContact O-N 3.36Å; Q113-L116 PolarHBondContact O-N 2.95Å; L116-T119 PolarHBondContact O-N 2.91Å; L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 3.36Å; L116-N120 PolarHBondContact O-ND2 3.47Å
117F92Very high85.2Confident126 Ų12694.3 Ų94.355%0.55347%0.472SS*.Hα-helixtrans-59.9-47.4174.1172.7-95.9000111.4Q113 H114 V115 T119 N120 N121Q113-F117 WeakPolarHBondContact O-CB 3.49Å; Q113-F117 PolarHBondContact O-N 3.45Å; H114-F117 WeakPolarHBondContact O-CB 3.43Å; H114-F117 PolarHBondContact O-N 3.19Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 3.33Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 3.03Å; F117-N120 PolarHBondContact O-N 2.92Å; F117-N121 WeakPolarHBondContact CD2-ND2 3.37Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.42Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.47Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.37Å; F117-N121 PolarHBondContact O-N 2.96Å; F117-N121 PolarHBondContact O-ND2 3.49Å
118L89.8Confident84Confident62 Ų6299.5 Ų99.533%0.32550%0.5SS..Hα-helixtrans-60-45.4177.2-68.5177.1000111I88 H114 V115 N120 N121 Q122I88-L118 HydrophobicContact CD1-CB 3.73Å; I88-L118 HydrophobicContact CG1-CB 4.08Å; I88-L118 HydrophobicContact CG2-CB 4.23Å; I88-L118 HydrophobicContact CG2-CD1 4.03Å; H114-L118 WeakPolarHBondContact O-CG 3.37Å; H114-L118 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-L118 VanDerWaalsContact O-N 3.13Å; L118-N120 PolarHBondContact O-N 3.39Å; L118-N121 PolarHBondContact O-N 3.1Å; L118-N121 VanDerWaalsContact O-N 3.13Å; L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 2.96Å
119T86.1Confident82.6Confident70 Ų70100 Ų10043%0.42950%0.503SS..Hα-helixtrans-59.1-46.3178.9-57.10000111.8I88 V115 L116 F117 N121 Q122I88-T119 VanDerWaalsContact CD1-CA 3.41Å; I88-T119 VanDerWaalsContact CD1-OG1 3.26Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.43Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.01Å; L116-T119 PolarHBondContact O-N 2.91Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 3.03Å; T119-N121 PolarHBondContact O-N 3.07Å; T119-Q122 PolarHBondContact O-N 3.45Å
120N87.8Confident81.1Confident115 Ų115101.8 Ų101.862%0.61551%0.512SS*.Hα-helixtrans-65.7-23.5180-69.2-17.1000113.2L116 F117 L118L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 3.36Å; L116-N120 PolarHBondContact O-ND2 3.47Å; F117-N120 PolarHBondContact O-N 2.92Å; L118-N120 PolarHBondContact O-N 3.39Å
121N83.7Confident79.5Confident105 Ų105101 Ų10156%0.56151%0.512SS*.Hα-helixtrans-91.4-6176.5-72.4-68000113.1F117 L118 T119F117-N121 WeakPolarHBondContact CD2-ND2 3.37Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.42Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.47Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.37Å; F117-N121 PolarHBondContact O-N 2.96Å; F117-N121 PolarHBondContact O-ND2 3.49Å; L118-N121 PolarHBondContact O-N 3.1Å; L118-N121 VanDerWaalsContact O-N 3.13Å; T119-N121 PolarHBondContact O-N 3.07Å
122Q78.8Confident77.9Confident68 Ų68103.4 Ų103.432%0.31853%0.527SS..SBendtrans-77.2139172-64.9-161.9-1800110G86 I88 L118 T119 E124G86-Q122 PolarHBondContact O-NE2 3.36Å; G86-Q122 VanDerWaalsContact O-NE2 3.13Å; I88-Q122 HydrophobicContact CD1-CG 4.1Å; L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 2.96Å; T119-Q122 PolarHBondContact O-N 3.45Å; Q122-E124 PolarHBondContact O-N 3.19Å
123V69.6Low76.3Confident103 Ų103106.2 Ų106.262%0.62453%0.533SS*.  trans-64.8132.7167.4179.80000107.1R125V123-R125 PolarHBondContact O-N 3.46Å
124E69.7Low74.5Confident151 Ų151104 Ų10471%0.70652%0.523SS*.  trans-49.5105.2172.2-76.7-176.5179.900109.2Q122 K126Q122-E124 PolarHBondContact O-N 3.19Å; E124-K126 PolarHBondContact O-N 3.44Å
125R68.3Low72.8Confident127 Ų127106 Ų10648%0.47953%0.533SS..  trans-72.7118.8172.2-68.7-167.3-17090.8-2.1106.4G86 D87 V123 P127G86-R125 PolarHBondContact O-NH2 3.05Å; D87-R125 IonicContact OD1-NH1 3.37Å; V123-R125 PolarHBondContact O-N 3.46Å; R125-P127 WeakPolarHBondContact O-CD 3.44Å
126K67.8Low71.1Confident112 Ų112111.1 Ų111.149%0.48755%0.552SS.*  trans-103.679.1170.6-64.8-171.3-179.4-174.30107.1E124 E128 L129 Q134E124-K126 PolarHBondContact O-N 3.44Å; K126-E128 PolarHBondContact O-N 2.76Å; K126-L129 HydrophobicContact CB-CB 4.09Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.98Å; K126-Q134 PolarHBondContact O-OE1 3.49Å
127P66Low69.3Low110 Ų110109.5 Ų109.571%0.71455%0.553SS**THydrogen-bonded Turntrans-59.9-20.4-176.225.7-35.1000112.7R125 L129R125-P127 WeakPolarHBondContact O-CD 3.44Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.18Å
128E69.1Low67.6Low185 Ų185106.9 Ų106.986%0.86455%0.554SS**THydrogen-bonded Turntrans-75.7-3.9175.6-53.7-60.6151.300114.4K126K126-E128 PolarHBondContact O-N 2.76Å
129L64.1Low65.9Low77 Ų77107.2 Ų107.240%0.40357%0.566SS.*SBendtrans-109.9128.2-174.2-151.888.1000111.2K126 P127 K133K126-L129 HydrophobicContact CB-CB 4.09Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.98Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.18Å; L129-K133 HydrophobicContact CD2-CB 3.51Å; L129-K133 HydrophobicContact CG-CB 4.11Å
130E63.5Low64.6Low136 Ų136109.4 Ų109.464%0.63657%0.57SS**  trans-43.3135.3173.2-75.1-74.5167.600112.9D132 K133E130-D132 PolarHBondContact O-N 2.99Å; E130-K133 PolarHBondContact O-N 3.06Å
131P59Low63.8Low86 Ų86106.4 Ų106.456%0.55857%0.566SS**Hα-helixtrans-57.1-33.3-167.822.2-33.4000113.3K133 Q134 E135P131-K133 PolarHBondContact O-N 2.82Å; P131-Q134 PolarHBondContact O-N 3.34Å; P131-E135 PolarHBondContact O-N 3.38Å
132D59.6Low62.9Low114 Ų114110.7 Ų110.761%0.6158%0.58SS**Hα-helixtrans-63.7-20.7178.8-76.3-6.5000114.8E130 K136E130-D132 PolarHBondContact O-N 2.99Å; D132-K136 VanDerWaalsContact O-CD 3.23Å; D132-K136 WeakPolarHBondContact O-CD 3.36Å; D132-K136 WeakPolarHBondContact O-CE 3.31Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å
133K59.7Low62.8Low132 Ų132110.4 Ų110.457%0.57459%0.585SS**Hα-helixtrans-95.6-21.3-179.9-66.9178.6-176.8171.20112.1L129 E130 P131L129-K133 HydrophobicContact CD2-CB 3.51Å; L129-K133 HydrophobicContact CG-CB 4.11Å; E130-K133 PolarHBondContact O-N 3.06Å; P131-K133 PolarHBondContact O-N 2.82Å
134Q56.7Low63.4Low61 Ų61108.4 Ų108.429%0.28557%0.569SS.*Hα-helixtrans-79.8-41.7-178-165.5159.4-11.700112K126 P131 K136 A137K126-Q134 PolarHBondContact O-OE1 3.49Å; P131-Q134 PolarHBondContact O-N 3.34Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 3.23Å; Q134-A137 PolarHBondContact O-N 2.96Å
135E55Low64.1Low156 Ų156108.9 Ų108.973%0.72957%0.569SS**Hα-helixtrans-63.4-35.3173.8-66.6-166.4159.400112.5P131 A137 A138 A139P131-E135 PolarHBondContact O-N 3.38Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.41Å; E135-A138 PolarHBondContact O-N 2.96Å; E135-A139 PolarHBondContact O-N 2.93Å
136K55.1Low65.2Low139 Ų139110.7 Ų110.760%0.60458%0.58SS**Hα-helixtrans-67.1-26.1178.6-72.9176-171.1157.90113.1D132 Q134 K140D132-K136 VanDerWaalsContact O-CD 3.23Å; D132-K136 WeakPolarHBondContact O-CD 3.36Å; D132-K136 WeakPolarHBondContact O-CE 3.31Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 3.23Å; K136-K140 WeakPolarHBondContact O-CE 3.37Å; K136-K140 WeakPolarHBondContact O-CG 3.34Å
137A54.8Low66.2Low65 Ų65112 Ų11254%0.53759%0.586SS.*Hα-helixtrans-78.6-36.6179.300000112.3Q134 E135 A139Q134-A137 PolarHBondContact O-N 2.96Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.41Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.41Å
138A55.3Low67.4Low70 Ų70112 Ų11258%0.57958%0.576SS**Hα-helixtrans-70.4-28.3179.100000113.2E135E135-A138 PolarHBondContact O-N 2.96Å
139A55.3Low68.6Low70 Ų70110.3 Ų110.358%0.57956%0.563SS**THydrogen-bonded Turntrans-87.2-0.1-178.400000114.9E135 A137 G141E135-A139 PolarHBondContact O-N 2.93Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.41Å; A139-G141 PolarHBondContact O-N 2.9Å
140K57.6Low70Confident115 Ų115109.3 Ų109.350%0.557%0.566SS.*  trans-71.46.7-178.7-62.4-156.9162.8-160.20115.1K136 E144K136-K140 WeakPolarHBondContact O-CE 3.37Å; K136-K140 WeakPolarHBondContact O-CG 3.34Å; K140-E144 WeakPolarHBondContact CA-OE2 3.45Å; K140-E144 WeakPolarHBondContact CB-OE2 3.38Å; K140-E144 WeakPolarHBondContact CD-OE2 3.23Å; K140-E144 WeakPolarHBondContact CG-OE2 3.34Å; K140-E144 IonicContact NZ-OE1 3.76Å
141G70.4Confident71.6Confident52 Ų52110.3 Ų110.354%0.53657%0.568SS.*SBendtrans-72.3137.3176.700000112.3A139 S143A139-G141 PolarHBondContact O-N 2.9Å; G141-S143 PolarHBondContact O-N 2.61Å; G141-S143 PolarHBondContact O-OG 3.17Å
142K66.3Low73.3Confident196 Ų196111.3 Ų111.385%0.85257%0.567SS**SBendtrans45-43.5168.7-62.2-179.1-176.1174.80118.6K146K142-K146 PolarHBondContact O-N 3.2Å
143S75.4Confident75.1Confident61 Ų61114.5 Ų114.543%0.42757%0.57SS.*Hα-helixtrans-64.6-39.8175.872.90000113.1G141 K146 K147G141-S143 PolarHBondContact O-N 2.61Å; G141-S143 PolarHBondContact O-OG 3.17Å; S143-K146 PolarHBondContact O-N 2.99Å; S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.37Å
144E82.1Confident76.9Confident61 Ų61113 Ų11329%0.28557%0.568SS.*Hα-helixtrans-68.5-45.7178.5-165.6171.6-164.700111.1K140 K146 K147 E148K140-E144 WeakPolarHBondContact CA-OE2 3.45Å; K140-E144 WeakPolarHBondContact CB-OE2 3.38Å; K140-E144 WeakPolarHBondContact CD-OE2 3.23Å; K140-E144 WeakPolarHBondContact CG-OE2 3.34Å; K140-E144 IonicContact NZ-OE1 3.76Å; E144-K146 PolarHBondContact O-N 3.15Å; E144-K147 CarbonylContact O-C 3.56Å; E144-K147 WeakPolarHBondContact O-CA 3.4Å; E144-K147 WeakPolarHBondContact O-CB 3.45Å; E144-K147 PolarHBondContact O-N 2.91Å; E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.42Å
145K85.6Confident78.7Confident162 Ų162112.4 Ų112.470%0.70457%0.57SS**Hα-helixtrans-57.1-36.8173.2-168.3168.8-173169.50112.8Y149K145-Y149 WeakPolarHBondContact O-CB 3.3Å; K145-Y149 PolarHBondContact O-N 2.98Å
146K90Very high80.7Confident164 Ų164111 Ų11171%0.71356%0.562SS**Hα-helixtrans-68.8-38.8174.2-172175-179.5-179.80111.9K142 S143 E144 A150K142-K146 PolarHBondContact O-N 3.2Å; S143-K146 PolarHBondContact O-N 2.99Å; E144-K146 PolarHBondContact O-N 3.15Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 2.94Å
147K90Very high82.7Confident140 Ų140109 Ų10961%0.60956%0.557SS**Hα-helixtrans-65.2-43.7174.5-72.3174.8-179.3179.50111.2S143 E144 A150 K151S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.37Å; E144-K147 CarbonylContact O-C 3.56Å; E144-K147 WeakPolarHBondContact O-CA 3.4Å; E144-K147 WeakPolarHBondContact O-CB 3.45Å; E144-K147 PolarHBondContact O-N 2.91Å; K147-A150 PolarHBondContact O-N 3.47Å; K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 3.02Å
148E91.4Very high84.6Confident110 Ų110111.1 Ų111.151%0.51456%0.556SS.*Hα-helixtrans-60.7-45.9175-71.5173.9179.600111.6E144 A150 K151 M152E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.42Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.41Å; E148-K151 PolarHBondContact O-N 3.17Å; E148-M152 WeakPolarHBondContact O-CB 3.36Å; E148-M152 PolarHBondContact O-N 3.34Å
149Y93.4Very high86.5Confident149 Ų149113.3 Ų113.358%0.58455%0.554SS**Hα-helixtrans-60.5-40.9176.2-176.1-95.1000112.2K145 M152 R153K145-Y149 WeakPolarHBondContact O-CB 3.3Å; K145-Y149 PolarHBondContact O-N 2.98Å; Y149-M152 HydrophobicContact CD2-CE 3.69Å; Y149-M152 HydrophobicContact CE2-CE 3.79Å; Y149-M152 PolarHBondContact O-N 3.48Å; Y149-R153 WeakPolarHBondContact O-CB 3.49Å; Y149-R153 PolarHBondContact O-N 3.01Å
150A94.8Very high88.5Confident57 Ų57115.4 Ų115.447%0.47155%0.55SS.*Hα-helixtrans-64-43.6175.300000112K146 K147 E148 R153 L154K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 2.94Å; K147-A150 PolarHBondContact O-N 3.47Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.41Å; A150-R153 PolarHBondContact O-N 2.97Å; A150-L154 PolarHBondContact O-N 3.42Å
151K95.9Very high90.3Very high157 Ų157116.2 Ų116.268%0.68355%0.554SS**Hα-helixtrans-61.6-47.1175.3-73.3179.1179-174.70111.8K147 E148 R153 L154 S155K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 3.02Å; E148-K151 PolarHBondContact O-N 3.17Å; K151-R153 VanDerWaalsContact C-N 3.32Å; K151-R153 PolarHBondContact O-N 3.38Å; K151-L154 WeakPolarHBondContact O-CB 3.27Å; K151-L154 PolarHBondContact O-N 3.36Å; K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 2.89Å
152M95.7Very high91.5Very high107 Ų107118.5 Ų118.553%0.52755%0.553SS.*Hα-helixtrans-61.3-40177.1-176.7-166.168.900111.8E148 Y149 L154 S155 K156E148-M152 WeakPolarHBondContact O-CB 3.36Å; E148-M152 PolarHBondContact O-N 3.34Å; Y149-M152 HydrophobicContact CD2-CE 3.69Å; Y149-M152 HydrophobicContact CE2-CE 3.79Å; Y149-M152 PolarHBondContact O-N 3.48Å; M152-L154 VanDerWaalsContact C-N 3.34Å; M152-S155 PolarHBondContact O-OG 2.82Å; M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 3.25Å
153R97.3Very high92.7Very high180 Ų180113 Ų11368%0.67953%0.533SS*.Hα-helixtrans-65-39.7175.9-174.6178.9174.9-168.3-1.1111.6Y149 A150 K151 L157Y149-R153 WeakPolarHBondContact O-CB 3.49Å; Y149-R153 PolarHBondContact O-N 3.01Å; A150-R153 PolarHBondContact O-N 2.97Å; K151-R153 VanDerWaalsContact C-N 3.32Å; K151-R153 PolarHBondContact O-N 3.38Å; R153-L157 PolarHBondContact O-N 3.41Å; R153-L157 VanDerWaalsContact O-N 3.16Å
154L96.6Very high93.7Very high100 Ų100116.7 Ų116.752%0.52454%0.542SS..Hα-helixtrans-66.2-47.3177.4-178.163.2000111.6A150 K151 M152 K156 L157 Q158A150-L154 PolarHBondContact O-N 3.42Å; K151-L154 WeakPolarHBondContact O-CB 3.27Å; K151-L154 PolarHBondContact O-N 3.36Å; M152-L154 VanDerWaalsContact C-N 3.34Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-Q158 PolarHBondContact O-N 2.8Å
155S94.9Very high94.2Very high49 Ų49119.5 Ų119.534%0.34356%0.555SS.*Hα-helixtrans-61.7-42.1178.863.40000111.7K151 M152 L157 Q158 Q159K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 2.89Å; M152-S155 PolarHBondContact O-OG 2.82Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.02Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3Å
156K97.2Very high94.2Very high127 Ų127117.2 Ų117.255%0.55255%0.547SS*.Hα-helixtrans-62.5-34175.4-169.1169.1-170.41670112.8M152 L154 K160M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 3.25Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; K156-K160 WeakPolarHBondContact O-CB 3.35Å; K156-K160 VanDerWaalsContact O-CG 3.3Å; K156-K160 WeakPolarHBondContact O-CG 3.21Å; K156-K160 PolarHBondContact O-N 2.81Å; K156-K160 VanDerWaalsContact O-N 3.1Å
157L96.3Very high94.1Very high96 Ų96112.5 Ų112.550%0.50353%0.529SS..Hα-helixtrans-71.1-38.1176-174.764.6000111.6R153 L154 S155 K161R153-L157 PolarHBondContact O-N 3.41Å; R153-L157 VanDerWaalsContact O-N 3.16Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.12Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.02Å; L157-K161 WeakPolarHBondContact O-CG 3.35Å; L157-K161 PolarHBondContact O-N 3.11Å
158Q95.6Very high94.1Very high110 Ų110112.3 Ų112.351%0.51453%0.528SS..Hα-helixtrans-65.1-48175-70.8173.2-19.400111.1L154 S155 K160 K161 L162L154-Q158 PolarHBondContact O-N 2.8Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; Q158-K160 PolarHBondContact O-N 3.42Å; Q158-K161 WeakPolarHBondContact O-CB 3.43Å; Q158-K161 PolarHBondContact O-N 3.5Å; Q158-L162 PolarHBondContact O-N 3.36Å; Q158-L162 VanDerWaalsContact O-N 3.14Å
159Q95.4Very high93.9Very high116 Ų116111.5 Ų111.554%0.54253%0.526SS..Hα-helixtrans-54.8-51.1174.8-74.2175.6-21.700111.5S155 K161 L162 D163S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3Å; Q159-K161 PolarHBondContact O-N 3.09Å; Q159-L162 WeakPolarHBondContact O-CA 3.47Å; Q159-L162 WeakPolarHBondContact O-CB 3.39Å; Q159-L162 PolarHBondContact O-N 3.18Å; Q159-D163 PolarHBondContact O-N 3.23Å
160K96.6Very high93.5Very high114 Ų114105.1 Ų105.150%0.49650%0.502SS..Hα-helixtrans-58-25176.5-77.3-177175.1-165.20114.8K156 Q158 K164K156-K160 WeakPolarHBondContact O-CB 3.35Å; K156-K160 VanDerWaalsContact O-CG 3.3Å; K156-K160 WeakPolarHBondContact O-CG 3.21Å; K156-K160 PolarHBondContact O-N 2.81Å; K156-K160 VanDerWaalsContact O-N 3.1Å; Q158-K160 PolarHBondContact O-N 3.42Å; K160-K164 WeakPolarHBondContact O-CB 3.35Å; K160-K164 WeakPolarHBondContact O-CD 3.47Å; K160-K164 WeakPolarHBondContact O-CG 3.36Å; K160-K164 PolarHBondContact O-N 3.38Å
161K96.1Very high93.1Very high133 Ų133108.4 Ų108.458%0.57851%0.506SS*.Hα-helixtrans-77-41.8174.7-74.9-179.6178.2-172.50110.8L157 Q158 Q159 K164 Q165L157-K161 WeakPolarHBondContact O-CG 3.35Å; L157-K161 PolarHBondContact O-N 3.11Å; Q158-K161 WeakPolarHBondContact O-CB 3.43Å; Q158-K161 PolarHBondContact O-N 3.5Å; Q159-K161 PolarHBondContact O-N 3.09Å; K161-K164 PolarHBondContact O-N 3.07Å; K161-Q165 WeakPolarHBondContact O-CG 2.93Å; K161-Q165 PolarHBondContact O-N 2.96Å
162L94.4Very high92.5Very high100 Ų100107.3 Ų107.352%0.52450%0.503SS..Hα-helixtrans-63.2-49.7175.2-62.4-179.6000110.6Q158 Q159 K164 Q165 E166Q158-L162 PolarHBondContact O-N 3.36Å; Q158-L162 VanDerWaalsContact O-N 3.14Å; Q159-L162 WeakPolarHBondContact O-CA 3.47Å; Q159-L162 WeakPolarHBondContact O-CB 3.39Å; Q159-L162 PolarHBondContact O-N 3.18Å; L162-K164 PolarHBondContact O-N 3.47Å; L162-Q165 WeakPolarHBondContact O-CA 3.45Å; L162-Q165 WeakPolarHBondContact O-CB 3.04Å; L162-Q165 PolarHBondContact O-N 3.2Å; L162-E166 PolarHBondContact O-N 3.48Å
163D92.7Very high91.7Very high80 Ų80107 Ų10743%0.42850%0.503SS..Hα-helixtrans-55.9-41.2177.7-53.7-19.6000111.4Q159 Q165 E166 D167Q159-D163 PolarHBondContact O-N 3.23Å; D163-Q165 PolarHBondContact O-N 3.45Å; D163-E166 PolarHBondContact O-N 2.89Å; D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 VanDerWaalsContact O-CG 3.31Å; D163-D167 PolarHBondContact O-N 2.95Å
164K94.9Very high90.5Very high139 Ų139100 Ų10060%0.60448%0.477SS*.Hα-helixtrans-67.7-33.5176.2-79.7177.2-177.8-171.70113.3K160 K161 L162 K168K160-K164 WeakPolarHBondContact O-CB 3.35Å; K160-K164 WeakPolarHBondContact O-CD 3.47Å; K160-K164 WeakPolarHBondContact O-CG 3.36Å; K160-K164 PolarHBondContact O-N 3.38Å; K161-K164 PolarHBondContact O-N 3.07Å; L162-K164 PolarHBondContact O-N 3.47Å; K164-K168 VanDerWaalsContact O-CG 3.26Å; K164-K168 WeakPolarHBondContact O-CG 3.43Å; K164-K168 PolarHBondContact O-N 2.95Å; K164-K168 VanDerWaalsContact O-N 3.15Å
165Q92.8Very high89.2Confident119 Ų119102.2 Ų102.256%0.55648%0.483SS*.Hα-helixtrans-70.2-44.4175.4-77.4-175.3-27.200110K161 L162 D163 K168 I169K161-Q165 WeakPolarHBondContact O-CG 2.93Å; K161-Q165 PolarHBondContact O-N 2.96Å; L162-Q165 WeakPolarHBondContact O-CA 3.45Å; L162-Q165 WeakPolarHBondContact O-CB 3.04Å; L162-Q165 PolarHBondContact O-N 3.2Å; D163-Q165 PolarHBondContact O-N 3.45Å; Q165-K168 PolarHBondContact O-N 3.44Å; Q165-I169 WeakPolarHBondContact O-CG1 3.07Å; Q165-I169 PolarHBondContact O-N 3.35Å
166E86.9Confident87.9Confident115 Ų115104.6 Ų104.654%0.53750%0.496SS..Hα-helixtrans-58.6-49173.6-68-179.3175.500111.2L162 D163 K168 I169 E170L162-E166 PolarHBondContact O-N 3.48Å; D163-E166 PolarHBondContact O-N 2.89Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.34Å; E166-I169 PolarHBondContact O-N 2.94Å; E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 WeakPolarHBondContact O-CG 2.97Å; E166-E170 PolarHBondContact O-N 2.9Å
167D88.1Confident86.4Confident64 Ų64104.4 Ų104.434%0.34250%0.5SS..Hα-helixtrans-60.1-33.5177.4-78.1-20.4000112.9D163 K171 R246D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 VanDerWaalsContact O-CG 3.31Å; D163-D167 PolarHBondContact O-N 2.95Å; D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.47Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.71Å; D167-R246 IonicContact OD1-NH2 2.67Å; D167-R246 PolarHBondContact OD1-NH2 3.41Å; D167-R246 VanDerWaalsContact OD1-NH2 3.09Å
168K90Very high85.1Confident136 Ų136107.2 Ų107.259%0.59152%0.516SS*.Hα-helixtrans-70.8-48176.1-79.6176.9177.5-165.50111.3K164 Q165 E166 E170 K171 E172K164-K168 VanDerWaalsContact O-CG 3.26Å; K164-K168 WeakPolarHBondContact O-CG 3.43Å; K164-K168 PolarHBondContact O-N 2.95Å; K164-K168 VanDerWaalsContact O-N 3.15Å; Q165-K168 PolarHBondContact O-N 3.44Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.34Å; K168-E170 VanDerWaalsContact C-N 3.26Å; K168-E170 PolarHBondContact O-N 3.34Å; K168-K171 WeakPolarHBondContact O-CB 3.3Å; K168-K171 PolarHBondContact O-N 3.45Å; K168-K171 VanDerWaalsContact O-N 3.14Å; K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 3.44Å
169I87Confident83.8Confident93 Ų93106.2 Ų106.248%0.47752%0.517SS..Hα-helixtrans-59.5-42.7176.2-68165.9000109.5Q165 E166 K171 E172 L173Q165-I169 WeakPolarHBondContact O-CG1 3.07Å; Q165-I169 PolarHBondContact O-N 3.35Å; E166-I169 PolarHBondContact O-N 2.94Å; I169-K171 PolarHBondContact O-N 3.31Å; I169-E172 PolarHBondContact O-N 2.93Å; I169-L173 HydrophobicContact CG2-CD1 3.54Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.46Å
170E84.5Confident82.7Confident16 Ų16106 Ų1068%0.07553%0.526CS..Hα-helixtrans-63.5-40.5176.2-74-171.5174.300112.2E166 K168 F174 R246E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 WeakPolarHBondContact O-CG 2.97Å; E166-E170 PolarHBondContact O-N 2.9Å; K168-E170 VanDerWaalsContact C-N 3.26Å; K168-E170 PolarHBondContact O-N 3.34Å; E170-F174 HydrophobicContact CB-CD2 3.86Å; E170-F174 HydrophobicContact CB-CE2 4.31Å; E170-F174 HydrophobicContact CG-CD2 4Å; E170-F174 HydrophobicContact CG-CE2 3.96Å; E170-F174 WeakPolarHBondContact O-CA 3.37Å; E170-F174 WeakPolarHBondContact O-CB 3.34Å; E170-F174 VanDerWaalsContact O-CD2 3.31Å; E170-F174 WeakPolarHBondContact O-CD2 3.33Å; E170-F174 PolarHBondContact O-N 3.16Å; E170-R246 IonicContact OE1-CZ 2.88Å; E170-R246 IonicContact OE1-NE 2.86Å; E170-R246 PolarHBondContact OE1-NE 2.79Å; E170-R246 IonicContact OE2-CZ 3.21Å; E170-R246 IonicContact OE2-NE 3.77Å; E170-R246 PolarHBondContact OE2-NE 3.2Å; E170-R246 IonicContact OE2-NH2 3.78Å; E170-R246 PolarHBondContact OE2-NH2 3.34Å
171K85.9Confident81.2Confident125 Ų125111.1 Ų111.154%0.54355%0.549SS..Iπ-helixtrans-60.4-49.2174-77.6168.6-178.2176.40112.6D167 K168 I169 F175 V176D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.47Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.71Å; K168-K171 WeakPolarHBondContact O-CB 3.3Å; K168-K171 PolarHBondContact O-N 3.45Å; K168-K171 VanDerWaalsContact O-N 3.14Å; I169-K171 PolarHBondContact O-N 3.31Å; K171-F175 HydrophobicContact CG-CD2 4.15Å; K171-F175 WeakPolarHBondContact O-CA 3.42Å; K171-F175 WeakPolarHBondContact O-CB 3.41Å; K171-F175 PolarHBondContact O-N 2.9Å; K171-V176 PolarHBondContact O-N 3.49Å
172E83.3Confident79.9Confident135 Ų135108.2 Ų108.263%0.63156%0.557SS**Iπ-helixtrans-66.7-41.5-178.8-70.5170.4-165.700111.8K168 I169K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 3.44Å; I169-E172 PolarHBondContact O-N 2.93Å
173L79.6Confident78.8Confident100 Ų100112.4 Ų112.452%0.52457%0.574SS.*Iπ-helixtrans-84.4-30.2-176.8-66.4178.7000114.6I169 Q253I169-L173 HydrophobicContact CG2-CD1 3.54Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.46Å; L173-Q253 PolarHBondContact O-NE2 3.28Å
174F71.6Confident77.6Confident32 Ų32113.6 Ų113.614%0.1458%0.583CS.*Iπ-helixtrans-114.6-26.7-171.5-59.1-69.8000115.1E170 K249 K250 Q253E170-F174 HydrophobicContact CB-CD2 3.86Å; E170-F174 HydrophobicContact CB-CE2 4.31Å; E170-F174 HydrophobicContact CG-CD2 4Å; E170-F174 HydrophobicContact CG-CE2 3.96Å; E170-F174 WeakPolarHBondContact O-CA 3.37Å; E170-F174 WeakPolarHBondContact O-CB 3.34Å; E170-F174 VanDerWaalsContact O-CD2 3.31Å; E170-F174 WeakPolarHBondContact O-CD2 3.33Å; E170-F174 PolarHBondContact O-N 3.16Å; F174-K249 HydrophobicContact CD1-CB 4.31Å; F174-K249 HydrophobicContact CD1-CD 4.44Å; F174-K249 HydrophobicContact CD1-CG 3.36Å; F174-K249 HydrophobicContact CE1-CB 4.28Å; F174-K249 HydrophobicContact CE1-CG 3.69Å; F174-K249 HydrophobicContact CG-CG 4.25Å; F174-K250 HydrophobicContact CE1-CG 4.45Å; F174-K250 HydrophobicContact CE2-CG 4.49Å; F174-K250 HydrophobicContact CZ-CG 3.71Å; F174-Q253 HydrophobicContact CD1-CG 4.37Å; F174-Q253 HydrophobicContact CE1-CG 3.88Å; F174-Q253 VanDerWaalsContact CE1-NE2 3.34Å
175F69.4Low76.1Confident147 Ų147111.5 Ų111.565%0.64559%0.586SS**Iπ-helixtrans-106.4-14.4-173.7-69.9-76000113.7K171 D177K171-F175 HydrophobicContact CG-CD2 4.15Å; K171-F175 WeakPolarHBondContact O-CA 3.42Å; K171-F175 WeakPolarHBondContact O-CB 3.41Å; K171-F175 PolarHBondContact O-N 2.9Å; F175-D177 PolarHBondContact O-N 3.37Å
176V68.6Low75.1Confident100 Ų100114.2 Ų114.261%0.60660%0.601SS**  trans-94.686.5171.5-175.60000108.4K171 N178K171-V176 PolarHBondContact O-N 3.49Å; V176-N178 PolarHBondContact O-N 3.04Å
177D64.9Low74.3Confident122 Ų122111.9 Ų111.965%0.65260%0.601SS**  trans-76.2113.6165.6-82.2-21.8000108.1F175 V179F175-D177 PolarHBondContact O-N 3.37Å; D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 HydrophobicContact CB-CG2 4.18Å; D177-V179 PolarHBondContact O-N 3.34Å
178N69.3Low73.8Confident155 Ų155114.2 Ų114.283%0.82962%0.62SS**  trans-76.986.4175.3-161.6-42.6000108.8V176V176-N178 PolarHBondContact O-N 3.04Å
179V68.3Low73.1Confident90 Ų90112.8 Ų112.855%0.54563%0.625SS.*PPolyproline II helixtrans-94.5128.2174.5-176.10000108.2D177 F181D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 HydrophobicContact CB-CG2 4.18Å; D177-V179 PolarHBondContact O-N 3.34Å; V179-F181 PolarHBondContact O-N 3.18Å
180P72.4Confident72.5Confident111 Ų111113.9 Ų113.972%0.72164%0.641SS**PPolyproline II helixtrans-60134.4179.324.4-33.2000111.1G182P180-G182 PolarHBondContact O-N 3Å
181F64Low71.8Confident221 Ų221120.3 Ų120.397%0.96968%0.675SS**THydrogen-bonded Turntrans-64.9118.8-177-174.9-97.5000110.7V179V179-F181 PolarHBondContact O-N 3.18Å
182G69.8Low71.2Confident73 Ų73118 Ų11875%0.75369%0.687SS**THydrogen-bonded Turntrans158.4-25.8175.700000116.7P180P180-G182 PolarHBondContact O-N 3Å
183E70.3Confident70.9Confident188 Ų188117 Ų11788%0.87969%0.69SS**SBendtrans-117.1-15.2-173.7-82.9-173.5151.700116.3
184V68.1Low70.5Confident104 Ų104121.6 Ų121.663%0.6371%0.706SS**  trans-132.8120.3-174.1-171.10000111.8M186V184-M186 PolarHBondContact O-N 3.26Å
185S63.7Low70.8Confident95 Ų95124.9 Ų124.966%0.66473%0.73SS**  trans-70.6110168-1610000109A187S185-A187 PolarHBondContact O-N 3Å; S185-A187 VanDerWaalsContact O-N 3.12Å; S185-A187 PolarHBondContact OG-O 3.14Å
186M70.7Confident70.9Confident176 Ų176128.3 Ų128.387%0.86775%0.745SS**SBendtrans-61.3-19.7-173.6-70.9-65.5-70.600114.6V184V184-M186 PolarHBondContact O-N 3.26Å
187A70.9Confident70.9Confident66 Ų66132.8 Ų132.855%0.54576%0.756SS.*SBendtrans-152.2139.6169.200000108.2S185S185-A187 PolarHBondContact O-N 3Å; S185-A187 VanDerWaalsContact O-N 3.12Å; S185-A187 PolarHBondContact OG-O 3.14Å
188P77.4Confident70.6Confident113 Ų113129.8 Ų129.873%0.73475%0.748SS**  trans-58.7135.816925.4-32000108.7S190P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.12Å
189P75.8Confident70.4Confident107 Ų107127 Ų12770%0.69574%0.739SS**  trans-57.2122.8177.723.2-32.7000109.3L191P189-L191 PolarHBondContact O-N 3.14Å
190S73.1Confident70.1Confident116 Ų116129.1 Ų129.181%0.81175%0.752SS**  trans-71.8103.3177.260.60000109P188 G192P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.12Å; S190-G192 VanDerWaalsContact C-N 3.26Å; S190-G192 PolarHBondContact O-N 2.82Å
191L69.9Low69.4Low150 Ų150131.3 Ų131.379%0.78575%0.75SS**  trans-7183.2173-62.5178.1000109.3P189 T193P189-L191 PolarHBondContact O-N 3.14Å; L191-T193 PolarHBondContact O-N 3.03Å
192G74.9Confident69.1Low78 Ų78127 Ų12780%0.80474%0.742SS**  trans-70.9-6.6176.500000114S190S190-G192 VanDerWaalsContact C-N 3.26Å; S190-G192 PolarHBondContact O-N 2.82Å
193T76.1Confident68.5Low113 Ų113130.1 Ų130.169%0.69374%0.737SS**SBendtrans-87.4119.7179.647.30000111L191L191-T193 PolarHBondContact O-N 3.03Å
194K71.1Confident67.7Low196 Ų196129.8 Ų129.885%0.85273%0.733SS**PPolyproline II helixtrans-60.7129.7167.9-65.1-179-178.6177.70108.7K196K194-K196 PolarHBondContact O-N 3.45Å
195P78.8Confident67Low101 Ų101133 Ų13366%0.65674%0.741SS**PPolyproline II helixtrans-59.3125.9175.221.5-30.6000109.7K197 A198P195-K197 PolarHBondContact O-N 3.08Å; P195-A198 HydrophobicContact CG-CB 4.02Å; P195-A198 PolarHBondContact O-N 3.2Å; P195-A198 VanDerWaalsContact O-N 3.16Å
196K71.4Confident66.7Low220 Ų220131.5 Ų131.596%0.95773%0.734SS**THydrogen-bonded Turntrans-53.8-14.6-174-109.8175.4171.1178.10115.2K194K194-K196 PolarHBondContact O-N 3.45Å
197K67.8Low66.2Low193 Ų193127.8 Ų127.884%0.83973%0.726SS**THydrogen-bonded Turntrans-1239.5-172-68.3-85.7-173.4170.90113.8P195 P199P195-K197 PolarHBondContact O-N 3.08Å; K197-P199 WeakPolarHBondContact O-CD 3.48Å
198A59.2Low65.9Low59 Ų59133.8 Ų133.849%0.48874%0.739SS.*  trans-66.6117.3177.200000110.1P195 V200P195-A198 HydrophobicContact CG-CB 4.02Å; P195-A198 PolarHBondContact O-N 3.2Å; P195-A198 VanDerWaalsContact O-N 3.16Å; A198-V200 PolarHBondContact O-N 2.82Å
199P64.4Low65.5Low96 Ų96134.2 Ų134.262%0.62373%0.732SS**  trans-62.7124.5171.626.2-31.7000107.8K197 K201K197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-K201 HydrophobicContact CB-CG 4.3Å; P199-K201 HydrophobicContact CG-CG 4.35Å; P199-K201 PolarHBondContact O-N 3.34Å
200V61.8Low65.6Low136 Ų136134.9 Ų134.982%0.82473%0.729SS**  trans-68.378168.3-1780000106.6A198 T202A198-V200 PolarHBondContact O-N 2.82Å; V200-T202 PolarHBondContact O-N 3.49Å
201K58.8Low65.9Low157 Ų157136.2 Ų136.268%0.68373%0.726SS**  trans-69.3101.7172.8-73.4-173.4177.8-175.80106.7P199 Q203P199-K201 HydrophobicContact CB-CG 4.3Å; P199-K201 HydrophobicContact CG-CG 4.35Å; P199-K201 PolarHBondContact O-N 3.34Å; K201-Q203 HydrophobicContact CB-CB 4.43Å; K201-Q203 PolarHBondContact O-N 2.98Å
202T57.2Low66.4Low131 Ų131133.6 Ų133.680%0.80471%0.712SS**  trans-65.763.6154.2510000108.3V200 K204V200-T202 PolarHBondContact O-N 3.49Å; T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.39Å; T202-K204 VanDerWaalsContact O-N 3.11Å
203Q56.3Low66.5Low138 Ų138132 Ų13265%0.64569%0.685SS**  trans-80.196.7169.7-166.9150.8-28.900105.9K201 Q205K201-Q203 HydrophobicContact CB-CB 4.43Å; K201-Q203 PolarHBondContact O-N 2.98Å; Q203-Q205 PolarHBondContact O-N 2.71Å
204K54.2Low66.6Low181 Ų181131.5 Ų131.579%0.78769%0.686SS**  trans-41.8139.3158.6-69.5178.5177.8179.10108.6T202 A206T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.39Å; T202-K204 VanDerWaalsContact O-N 3.11Å; K204-A206 PolarHBondContact O-N 3.42Å
205Q53.9Low67.2Low171 Ų171128.6 Ų128.680%0.79968%0.679SS**  trans-23.584.6176.2-63.194.5-3700115Q203Q203-Q205 PolarHBondContact O-N 2.71Å
206A56.8Low67.6Low64 Ų64128.4 Ų128.453%0.52967%0.672SS.*  trans-81.1126143.200000104.5K204 K208K204-A206 PolarHBondContact O-N 3.42Å; A206-K208 PolarHBondContact O-N 3.16Å; A206-K208 VanDerWaalsContact O-N 3.08Å
207S60.9Low67.7Low98 Ų98121.1 Ų121.169%0.68566%0.659SS**  trans-39.1115.5-173.238.20000111.5E209S207-E209 PolarHBondContact O-N 3.37Å
208K63.8Low67.7Low192 Ų192117.3 Ų117.384%0.83564%0.644SS**  trans-74.845.5179.5-63.1174.5179.9172.90110.8A206A206-K208 PolarHBondContact O-N 3.16Å; A206-K208 VanDerWaalsContact O-N 3.08Å
209E69.1Low67.8Low122 Ų122119.8 Ų119.857%0.5766%0.658SS**  trans-101.9124178.9-65.8-175.5-179.200107.6S207 L211S207-E209 PolarHBondContact O-N 3.37Å; E209-L211 PolarHBondContact O-N 3.47Å
210L77.7Confident67.5Low121 Ų121120 Ų12063%0.63465%0.652SS**  trans-61.8136.2174-61.4173.5000107.6L212 N213L210-L212 PolarHBondContact O-N 3.07Å; L210-N213 VanDerWaalsContact O-CB 3.32Å; L210-N213 WeakPolarHBondContact O-CB 3.46Å; L210-N213 PolarHBondContact O-N 3.34Å
211L80.3Confident67.5Low143 Ų143118 Ų11875%0.74965%0.65SS**Hα-helixtrans-52.1-31.2175-178.8145.6000111.8E209 N213 S214 L215E209-L211 PolarHBondContact O-N 3.47Å; L211-N213 VanDerWaalsContact C-N 3.3Å; L211-N213 PolarHBondContact O-N 3.14Å; L211-S214 WeakPolarHBondContact O-CB 3.37Å; L211-S214 PolarHBondContact O-N 3.29Å; L211-S214 VanDerWaalsContact O-N 3.16Å; L211-L215 PolarHBondContact O-N 2.87Å
212L80Confident67.5Low96 Ų96115.1 Ų115.150%0.50365%0.649SS.*Hα-helixtrans-60.1-35.5174.2-172.865.2000113.3L210 S214 L215 L216L210-L212 PolarHBondContact O-N 3.07Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.11Å; L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.38Å; L212-L216 PolarHBondContact O-N 3.38Å
213N77.6Confident67.7Low44 Ų44115.2 Ų115.224%0.23565%0.65CS.*Hα-helixtrans-65.9-35.3177.5-64.6-10.3000111.2L210 L211 G217 H218L210-N213 VanDerWaalsContact O-CB 3.32Å; L210-N213 WeakPolarHBondContact O-CB 3.46Å; L210-N213 PolarHBondContact O-N 3.34Å; L211-N213 VanDerWaalsContact C-N 3.3Å; L211-N213 PolarHBondContact O-N 3.14Å; N213-G217 PolarHBondContact O-N 3.18Å; N213-H218 WeakPolarHBondContact CB-O 3.48Å; N213-H218 PolarHBondContact O-N 3.31Å; N213-H218 VanDerWaalsContact O-N 3.15Å
214S76.7Confident68.6Low103 Ų103111.6 Ų111.672%0.7264%0.644SS**Hα-helixtrans-66.8-40.4172.1151.80000111.7L211 L212L211-S214 WeakPolarHBondContact O-CB 3.37Å; L211-S214 PolarHBondContact O-N 3.29Å; L211-S214 VanDerWaalsContact O-N 3.16Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.14Å
215L85.3Confident69.8Low134 Ų134112.7 Ų112.770%0.70265%0.648SS**Hα-helixtrans-73.8-38.3-178.6-17562.9000112.8L211 L212 G217L211-L215 PolarHBondContact O-N 2.87Å; L212-L215 PolarHBondContact O-N 3.11Å; L215-G217 VanDerWaalsContact C-N 3.31Å
216L85.6Confident71.2Confident98 Ų98107.1 Ų107.151%0.51363%0.627SS.*THydrogen-bonded Turntrans-89.11.2-175.5-139.662.5000112.5L212 H218L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.38Å; L212-L216 PolarHBondContact O-N 3.38Å; L216-H218 WeakPolarHBondContact CD2-CE1 3.19Å; L216-H218 WeakPolarHBondContact CD2-ND1 3.36Å; L216-H218 VanDerWaalsContact CG-CE1 3.48Å; L216-H218 WeakPolarHBondContact CG-CE1 3.26Å; L216-H218 PolarHBondContact O-N 3.09Å; L216-H218 VanDerWaalsContact O-N 3.1Å
217G75.3Confident72.7Confident66 Ų66107.7 Ų107.768%0.6863%0.627SS**THydrogen-bonded Turntrans64.112.4-178.900000114.2N213 L215 S219N213-G217 PolarHBondContact O-N 3.18Å; L215-G217 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 2.83Å; G217-S219 VanDerWaalsContact O-N 3.17Å
218H67.6Low74.2Confident113 Ų113108.6 Ų108.652%0.52362%0.622SS.*  trans-86.191.4-179.1-63.3144.6000109.4N213 L216 M220N213-H218 WeakPolarHBondContact CB-O 3.48Å; N213-H218 PolarHBondContact O-N 3.31Å; N213-H218 VanDerWaalsContact O-N 3.15Å; L216-H218 WeakPolarHBondContact CD2-CE1 3.19Å; L216-H218 WeakPolarHBondContact CD2-ND1 3.36Å; L216-H218 VanDerWaalsContact CG-CE1 3.48Å; L216-H218 WeakPolarHBondContact CG-CE1 3.26Å; L216-H218 PolarHBondContact O-N 3.09Å; L216-H218 VanDerWaalsContact O-N 3.1Å; H218-M220 PolarHBondContact O-N 3.1Å
219S60.3Low75.6Confident111 Ų111102.4 Ų102.478%0.77661%0.607SS**  trans-55.2136.1161.3-174.50000108.5G217 A221G217-S219 PolarHBondContact O-N 2.83Å; G217-S219 VanDerWaalsContact O-N 3.17Å; S219-A221 PolarHBondContact O-N 2.92Å
220M59.4Low76.6Confident102 Ų102103.2 Ų103.250%0.50261%0.605SS.*  trans-40.6109.1-172.9-71.2-154.26400111H218 S222 T223H218-M220 PolarHBondContact O-N 3.1Å; M220-S222 PolarHBondContact O-N 2.9Å; M220-T223 HydrophobicContact CE-CG2 4.41Å
221A59.9Low77.3Confident93 Ų93100.9 Ų100.977%0.76959%0.591SS**  trans-51.4116.917100000106.4S219 T223S219-A221 PolarHBondContact O-N 2.92Å; A221-T223 PolarHBondContact O-N 3.47Å; A221-T223 VanDerWaalsContact O-N 3.1Å
222S59Low77.9Confident97 Ų97102.1 Ų102.168%0.67859%0.585SS**  trans-43121.9-171.2179.80000109.9M220 A224M220-S222 PolarHBondContact O-N 2.9Å; S222-A224 PolarHBondContact O-N 3.19Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.5Å; S222-A224 PolarHBondContact OG-N 3.06Å
223T61.1Low78.5Confident133 Ų133102.9 Ų102.982%0.81659%0.588SS**  trans-69.3-0.6174.658.60000111.8M220 A221M220-T223 HydrophobicContact CE-CG2 4.41Å; A221-T223 PolarHBondContact O-N 3.47Å; A221-T223 VanDerWaalsContact O-N 3.1Å
224A76Confident79.2Confident62 Ų62104.3 Ų104.351%0.51259%0.594SS.*SBendtrans-63.4137.4170.800000110S222S222-A224 PolarHBondContact O-N 3.19Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.5Å; S222-A224 PolarHBondContact OG-N 3.06Å
225K79.1Confident79.9Confident203 Ų203103.8 Ų103.888%0.88358%0.58SS**PPolyproline II helixtrans-56.1128.4172.5-64.1176.3-177.71760108.1
226P83.7Confident80.4Confident54 Ų54101.9 Ų101.935%0.35157%0.567SS.*PPolyproline II helixtrans-59.4153.6177.927.7-36.5000109.9R230 Q231 M234P226-R230 HydrophobicContact CB-CB 4.09Å; P226-R230 HydrophobicContact CB-CG 4.12Å; P226-Q231 HydrophobicContact CG-CB 4.39Å; P226-M234 HydrophobicContact CB-CE 4.05Å; P226-M234 HydrophobicContact CG-CE 3.65Å
227S89.1Confident80.8Confident77 Ų77103.4 Ų103.454%0.53857%0.572SS.*PPolyproline II helixtrans-56.6151.6173.369.10000110.6A229 R230 Q231S227-A229 PolarHBondContact O-N 3.44Å; S227-A229 VanDerWaalsContact O-N 3.11Å; S227-R230 WeakPolarHBondContact O-CA 3.32Å; S227-R230 PolarHBondContact O-N 3.16Å; S227-R230 WeakPolarHBondContact OG-CB 3.36Å; S227-R230 PolarHBondContact OG-N 2.82Å; S227-Q231 PolarHBondContact O-N 3.37Å
228M91.9Very high81.8Confident116 Ų116109 Ų10957%0.57157%0.572SS**Hα-helixtrans-53.3-35.7179.5-80.2-59.2-51.200113R232M228-R232 WeakPolarHBondContact O-CG 3.02Å; M228-R232 PolarHBondContact O-N 3.06Å; M228-R232 VanDerWaalsContact O-N 3.14Å
229A92.9Very high83.1Confident63 Ų63109.2 Ų109.252%0.52157%0.574SS.*Hα-helixtrans-65.7-44.9175.600000111.8S227 Q231 R232 M233S227-A229 PolarHBondContact O-N 3.44Å; S227-A229 VanDerWaalsContact O-N 3.11Å; A229-Q231 VanDerWaalsContact C-N 3.35Å; A229-R232 PolarHBondContact O-N 3.25Å; A229-M233 PolarHBondContact O-N 3.45Å; A229-M233 VanDerWaalsContact O-N 3.16Å
230R90.4Very high84.8Confident139 Ų139111.7 Ų111.753%0.52557%0.566SS.*Hα-helixtrans-66.6-37.3177.4-170.6176.8-150.1-79.5-1112.2P226 S227 R232 M233 M234P226-R230 HydrophobicContact CB-CB 4.09Å; P226-R230 HydrophobicContact CB-CG 4.12Å; S227-R230 WeakPolarHBondContact O-CA 3.32Å; S227-R230 PolarHBondContact O-N 3.16Å; S227-R230 WeakPolarHBondContact OG-CB 3.36Å; S227-R230 PolarHBondContact OG-N 2.82Å; R230-R232 VanDerWaalsContact C-N 3.34Å; R230-M233 HydrophobicContact CB-CE 4.33Å; R230-M233 HydrophobicContact CG-CE 4.41Å; R230-M233 PolarHBondContact O-N 3.26Å; R230-M234 PolarHBondContact NH1-SD 2.83Å; R230-M234 VanDerWaalsContact NH1-SD 3.38Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.41Å
231Q91.3Very high86.5Confident72 Ų72109.9 Ų109.934%0.33657%0.568SS.*Hα-helixtrans-60-44.8174-175.8176.5-8.200111.4P226 S227 A229 M233 M234 E235P226-Q231 HydrophobicContact CG-CB 4.39Å; S227-Q231 PolarHBondContact O-N 3.37Å; A229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-M233 PolarHBondContact O-N 2.89Å; Q231-M234 PolarHBondContact O-N 3.28Å; Q231-E235 HydrophobicContact CG-CG 4.37Å; Q231-E235 VanDerWaalsContact CG-OE1 3.28Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.45Å; Q231-E235 PolarHBondContact NE2-OE1 3.06Å; Q231-E235 WeakPolarHBondContact O-CB 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.4Å; Q231-E235 PolarHBondContact O-N 3.13Å
232R94.8Very high88.1Confident168 Ų168108.1 Ų108.163%0.63455%0.547SS*.Hα-helixtrans-60.2-44.5176.6-71.9174.1-173.6164.42.2112.5M228 A229 R230 E235 E236M228-R232 WeakPolarHBondContact O-CG 3.02Å; M228-R232 PolarHBondContact O-N 3.06Å; M228-R232 VanDerWaalsContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.25Å; R230-R232 VanDerWaalsContact C-N 3.34Å; R232-E235 PolarHBondContact O-N 2.8Å; R232-E236 WeakPolarHBondContact O-CB 3.18Å; R232-E236 PolarHBondContact O-N 3.17Å
233M91.8Very high89.7Confident113 Ų113108.8 Ų108.856%0.55754%0.539SS*.Hα-helixtrans-60.5-47.2177.6-68.9-172.1-63.600111.6A229 R230 Q231 E235 E236 E237A229-M233 PolarHBondContact O-N 3.45Å; A229-M233 VanDerWaalsContact O-N 3.16Å; R230-M233 HydrophobicContact CB-CE 4.33Å; R230-M233 HydrophobicContact CG-CE 4.41Å; R230-M233 PolarHBondContact O-N 3.26Å; Q231-M233 PolarHBondContact O-N 2.89Å; M233-E235 PolarHBondContact O-N 3.46Å; M233-E236 PolarHBondContact O-N 3.25Å; M233-E237 WeakPolarHBondContact O-CG 3.37Å; M233-E237 PolarHBondContact O-N 3.36Å
234M92.5Very high91.4Very high74 Ų74105.2 Ų105.237%0.36552%0.523SS..Hα-helixtrans-65.9-37178.5-67-171.9-51.700112.7P226 R230 Q231 R238P226-M234 HydrophobicContact CB-CE 4.05Å; P226-M234 HydrophobicContact CG-CE 3.65Å; R230-M234 PolarHBondContact NH1-SD 2.83Å; R230-M234 VanDerWaalsContact NH1-SD 3.38Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.41Å; Q231-M234 PolarHBondContact O-N 3.28Å; M234-R238 VanDerWaalsContact O-CB 3.29Å; M234-R238 WeakPolarHBondContact O-CB 3.19Å; M234-R238 PolarHBondContact O-N 2.93Å
235E91.9Very high92.3Very high91 Ų91108.7 Ų108.743%0.42552%0.524SS..Hα-helixtrans-66.2-39.6175.9-76.7173.9-172.400111.6Q231 R232 M233 R238 Q239Q231-E235 HydrophobicContact CG-CG 4.37Å; Q231-E235 VanDerWaalsContact CG-OE1 3.28Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.45Å; Q231-E235 PolarHBondContact NE2-OE1 3.06Å; Q231-E235 WeakPolarHBondContact O-CB 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.4Å; Q231-E235 PolarHBondContact O-N 3.13Å; R232-E235 PolarHBondContact O-N 2.8Å; M233-E235 PolarHBondContact O-N 3.46Å; E235-R238 PolarHBondContact O-N 3.15Å; E235-Q239 WeakPolarHBondContact O-CB 3.42Å; E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.33Å; E235-Q239 PolarHBondContact O-N 3.17Å
236E94.5Very high92.9Very high94 Ų94103.1 Ų103.144%0.43950%0.498SS..Hα-helixtrans-65.1-46.7174.7-171.4-176.516200111.5R232 M233 R238 Q239 R240R232-E236 WeakPolarHBondContact O-CB 3.18Å; R232-E236 PolarHBondContact O-N 3.17Å; M233-E236 PolarHBondContact O-N 3.25Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 3.4Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.15Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.24Å; E236-R240 IonicContact OE1-CZ 2.76Å; E236-R240 IonicContact OE1-NE 2.75Å; E236-R240 PolarHBondContact OE1-NE 3.2Å; E236-R240 IonicContact OE1-NH2 3.06Å; E236-R240 PolarHBondContact OE1-NH2 3.44Å
237E94.1Very high93.4Very high131 Ų131106.3 Ų106.361%0.61251%0.511SS*.Hα-helixtrans-58.3-44.3174.9-74.9175.8178.300111.6M233 Q239 R240 A241M233-E237 WeakPolarHBondContact O-CG 3.37Å; M233-E237 PolarHBondContact O-N 3.36Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.32Å; E237-R240 PolarHBondContact O-N 3.13Å; E237-A241 WeakPolarHBondContact O-CB 3.26Å; E237-A241 PolarHBondContact O-N 2.95Å
238R95.9Very high93.7Very high182 Ų182107.8 Ų107.869%0.68751%0.512SS*.Hα-helixtrans-60.4-44.1175.4-178.6-169.8136.496.45.4111.2M234 E235 E236 A241 V242M234-R238 VanDerWaalsContact O-CB 3.29Å; M234-R238 WeakPolarHBondContact O-CB 3.19Å; M234-R238 PolarHBondContact O-N 2.93Å; E235-R238 PolarHBondContact O-N 3.15Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 3.4Å; R238-A241 PolarHBondContact O-N 3.1Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.34Å; R238-V242 PolarHBondContact O-N 3.39Å
239Q95.1Very high93.5Very high119 Ų119104.8 Ų104.856%0.55650%0.496SS*.Hα-helixtrans-61.7-47.5177.1-76.9174.1-3.700111.2E235 E236 E237 A241 V242 E243E235-Q239 WeakPolarHBondContact O-CB 3.42Å; E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.33Å; E235-Q239 PolarHBondContact O-N 3.17Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.15Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.32Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 3.17Å; Q239-V242 PolarHBondContact O-N 3.29Å; Q239-E243 WeakPolarHBondContact O-CG 3.33Å; Q239-E243 PolarHBondContact O-N 2.88Å
240R95.9Very high93.4Very high163 Ų163106.4 Ų106.462%0.61549%0.491SS*.Hα-helixtrans-57.3-44.3176.2-70.3-175.7-172.2-164.94.6112.4E236 E237 E243 A244E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.24Å; E236-R240 IonicContact OE1-CZ 2.76Å; E236-R240 IonicContact OE1-NE 2.75Å; E236-R240 PolarHBondContact OE1-NE 3.2Å; E236-R240 IonicContact OE1-NH2 3.06Å; E236-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 PolarHBondContact O-N 3.13Å; R240-E243 PolarHBondContact O-N 3.45Å; R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.13Å
241A95.9Very high93.4Very high64 Ų64105.1 Ų105.153%0.52949%0.491SS..Hα-helixtrans-63.8-41.2178.100000112.2E237 R238 Q239 Y245E237-A241 WeakPolarHBondContact O-CB 3.26Å; E237-A241 PolarHBondContact O-N 2.95Å; R238-A241 PolarHBondContact O-N 3.1Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 3.17Å; A241-Y245 WeakPolarHBondContact O-CB 2.97Å; A241-Y245 PolarHBondContact O-N 2.94Å
242V93.6Very high93.3Very high55 Ų55106.8 Ų106.833%0.33350%0.498SS..Hα-helixtrans-65.7-43.8177169.60000111.2R238 Q239 Y245 R246R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.34Å; R238-V242 PolarHBondContact O-N 3.39Å; Q239-V242 PolarHBondContact O-N 3.29Å; V242-Y245 PolarHBondContact O-N 3.35Å; V242-R246 WeakPolarHBondContact O-CB 3.24Å; V242-R246 WeakPolarHBondContact O-CG 3.12Å; V242-R246 PolarHBondContact O-N 3.19Å
243E93.1Very high92.8Very high112 Ų112100.7 Ų100.752%0.52348%0.476SS..Hα-helixtrans-62.9-46.2176.8-73176.3-179.100111.7Q239 R240 Y245 R246 L247Q239-E243 WeakPolarHBondContact O-CG 3.33Å; Q239-E243 PolarHBondContact O-N 2.88Å; R240-E243 PolarHBondContact O-N 3.45Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-Y245 PolarHBondContact O-N 2.73Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 2.89Å; E243-L247 WeakPolarHBondContact O-CG 3.34Å; E243-L247 PolarHBondContact O-N 3Å
244A96.2Very high92.6Very high58 Ų58101.4 Ų101.448%0.47948%0.478SS..Hα-helixtrans-58.9-43.8175.300000111.7R240 L247 L248R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.13Å; A244-L247 PolarHBondContact O-N 3.33Å; A244-L248 WeakPolarHBondContact O-CB 3.48Å; A244-L248 PolarHBondContact O-N 3.3Å
245Y95Very high92.3Very high134 Ų134101.5 Ų101.553%0.52548%0.478SS..Hα-helixtrans-62.7-43.5175.7-180-99.4000112.2A241 V242 E243 L247 L248 K249A241-Y245 WeakPolarHBondContact O-CB 2.97Å; A241-Y245 PolarHBondContact O-N 2.94Å; V242-Y245 PolarHBondContact O-N 3.35Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-Y245 PolarHBondContact O-N 2.73Å; Y245-L247 PolarHBondContact O-N 2.91Å; Y245-L248 PolarHBondContact O-N 2.93Å; Y245-K249 WeakPolarHBondContact O-CB 3.47Å; Y245-K249 PolarHBondContact O-N 2.88Å
246R92.1Very high91.9Very high87 Ų87101.8 Ų101.833%0.32848%0.479SS..Hα-helixtrans-58-46.3175.4-80173.5163.5174.4-8.9111.5D167 E170 V242 E243 K249 K250D167-R246 IonicContact OD1-NH2 2.67Å; D167-R246 PolarHBondContact OD1-NH2 3.41Å; D167-R246 VanDerWaalsContact OD1-NH2 3.09Å; E170-R246 IonicContact OE1-CZ 2.88Å; E170-R246 IonicContact OE1-NE 2.86Å; E170-R246 PolarHBondContact OE1-NE 2.79Å; E170-R246 IonicContact OE2-CZ 3.21Å; E170-R246 IonicContact OE2-NE 3.77Å; E170-R246 PolarHBondContact OE2-NE 3.2Å; E170-R246 IonicContact OE2-NH2 3.78Å; E170-R246 PolarHBondContact OE2-NH2 3.34Å; V242-R246 WeakPolarHBondContact O-CB 3.24Å; V242-R246 WeakPolarHBondContact O-CG 3.12Å; V242-R246 PolarHBondContact O-N 3.19Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 2.89Å; R246-K249 PolarHBondContact O-N 3.38Å; R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 WeakPolarHBondContact O-CG 3.43Å; R246-K250 PolarHBondContact O-N 2.68Å
247L94.6Very high91.4Very high120 Ų120103.4 Ų103.463%0.62849%0.487SS*.Hα-helixtrans-62.7-47.4178-69.1174.7000111.8E243 A244 Y245 K249 K250 Q251E243-L247 WeakPolarHBondContact O-CG 3.34Å; E243-L247 PolarHBondContact O-N 3Å; A244-L247 PolarHBondContact O-N 3.33Å; Y245-L247 PolarHBondContact O-N 2.91Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.49Å; L247-K250 WeakPolarHBondContact O-CB 3.48Å; L247-K250 PolarHBondContact O-N 3.31Å; L247-Q251 PolarHBondContact O-N 3.38Å
248L93.9Very high91Very high109 Ų109101.7 Ų101.757%0.57149%0.485SS*.Hα-helixtrans-62.2-40.2179.5-172.2145.5000111.7A244 Y245 Q251 K252A244-L248 WeakPolarHBondContact O-CB 3.48Å; A244-L248 PolarHBondContact O-N 3.3Å; Y245-L248 PolarHBondContact O-N 2.93Å; L248-Q251 PolarHBondContact O-N 3.42Å; L248-K252 PolarHBondContact O-N 3.35Å
249K88.4Confident90.3Very high53 Ų53100.5 Ų100.523%0.2348%0.48CS..Hα-helixtrans-68.6-39.4176.9-167.376-177.6-164.20111.9F174 Y245 R246 L247 K252 Q253F174-K249 HydrophobicContact CD1-CB 4.31Å; F174-K249 HydrophobicContact CD1-CD 4.44Å; F174-K249 HydrophobicContact CD1-CG 3.36Å; F174-K249 HydrophobicContact CE1-CB 4.28Å; F174-K249 HydrophobicContact CE1-CG 3.69Å; F174-K249 HydrophobicContact CG-CG 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.47Å; Y245-K249 PolarHBondContact O-N 2.88Å; R246-K249 PolarHBondContact O-N 3.38Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.49Å; K249-K252 PolarHBondContact O-N 3.44Å; K249-Q253 PolarHBondContact O-N 2.87Å
250K90.1Very high89.6Confident97 Ų97100.1 Ų100.142%0.42248%0.482SS..Hα-helixtrans-58.6-46.6172.5-80.1177.5-178.5-179.90111.6F174 R246 L247 Q253 Q254F174-K250 HydrophobicContact CE1-CG 4.45Å; F174-K250 HydrophobicContact CE2-CG 4.49Å; F174-K250 HydrophobicContact CZ-CG 3.71Å; R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 WeakPolarHBondContact O-CG 3.43Å; R246-K250 PolarHBondContact O-N 2.68Å; L247-K250 WeakPolarHBondContact O-CB 3.48Å; L247-K250 PolarHBondContact O-N 3.31Å; K250-Q253 PolarHBondContact O-N 3.27Å; K250-Q254 PolarHBondContact O-N 3.48Å; K250-Q254 VanDerWaalsContact O-N 3.11Å
251Q91.2Very high88.8Confident111 Ų11195.3 Ų95.352%0.51948%0.478SS..Hα-helixtrans-59.8-48176.7-176.4-175.9-12.700111.5L247 L248 Q253 Q254 E255L247-Q251 PolarHBondContact O-N 3.38Å; L248-Q251 PolarHBondContact O-N 3.42Å; Q251-Q253 VanDerWaalsContact C-N 3.27Å; Q251-Q253 PolarHBondContact O-N 3.45Å; Q251-Q254 PolarHBondContact O-N 3.2Å; Q251-Q254 VanDerWaalsContact O-N 3.11Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.48Å; Q251-E255 PolarHBondContact NE2-OE1 2.97Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.88Å
252K89.1Confident87.8Confident108 Ų10896.1 Ų96.147%0.4748%0.479SS..Hα-helixtrans-59.9-35.7178.8-171.2173-179.1174.20112.7L248 K249 Q256L248-K252 PolarHBondContact O-N 3.35Å; K249-K252 PolarHBondContact O-N 3.44Å; K252-Q256 WeakPolarHBondContact O-CG 3.11Å; K252-Q256 PolarHBondContact O-N 2.67Å
253Q83.8Confident86.8Confident40 Ų40100.1 Ų100.119%0.18750%0.498CS..Hα-helixtrans-68-42.1174.6-78.5-165.4-15.500112.5L173 F174 K249 K250 Q251 E255 Q256 Q257L173-Q253 PolarHBondContact O-NE2 3.28Å; F174-Q253 HydrophobicContact CD1-CG 4.37Å; F174-Q253 HydrophobicContact CE1-CG 3.88Å; F174-Q253 VanDerWaalsContact CE1-NE2 3.34Å; K249-Q253 PolarHBondContact O-N 2.87Å; K250-Q253 PolarHBondContact O-N 3.27Å; Q251-Q253 VanDerWaalsContact C-N 3.27Å; Q251-Q253 PolarHBondContact O-N 3.45Å; Q253-E255 VanDerWaalsContact C-N 3.32Å; Q253-E255 PolarHBondContact O-N 2.93Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q253-Q257 WeakPolarHBondContact O-CG 3.12Å; Q253-Q257 PolarHBondContact O-N 3Å
254Q87.5Confident85.1Confident127 Ų12798 Ų9859%0.59351%0.507SS*.Hα-helixtrans-60.8-43.5175-70.5178.6-7.100111.2K250 Q251 Q256 Q257 T258K250-Q254 PolarHBondContact O-N 3.48Å; K250-Q254 VanDerWaalsContact O-N 3.11Å; Q251-Q254 PolarHBondContact O-N 3.2Å; Q251-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.42Å; Q254-Q257 PolarHBondContact O-N 2.86Å; Q254-T258 WeakPolarHBondContact O-CG2 3.48Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.07Å
255E87.1Confident83Confident76 Ų76106.9 Ų106.936%0.35553%0.534SS..Hα-helixtrans-61.7-37.9175.4-69.9173.8-166.700112.8Q251 Q253 T258 R259Q251-E255 WeakPolarHBondContact CG-OE1 3.48Å; Q251-E255 PolarHBondContact NE2-OE1 2.97Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.88Å; Q253-E255 VanDerWaalsContact C-N 3.32Å; Q253-E255 PolarHBondContact O-N 2.93Å; E255-T258 WeakPolarHBondContact CA-OG1 3.37Å; E255-T258 PolarHBondContact O-OG1 3.47Å; E255-R259 WeakPolarHBondContact O-CB 3.42Å; E255-R259 WeakPolarHBondContact O-CG 3.35Å; E255-R259 PolarHBondContact O-N 3.41Å
256Q83.4Confident82.4Confident98 Ų98105.6 Ų105.646%0.45854%0.535SS..Hα-helixtrans-68.2-40.8174.4-75.1178-15.900111.9K252 Q253 Q254 R259 N260K252-Q256 WeakPolarHBondContact O-CG 3.11Å; K252-Q256 PolarHBondContact O-N 2.67Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.42Å; Q256-R259 PolarHBondContact O-N 2.88Å; Q256-N260 WeakPolarHBondContact O-CB 3.41Å; Q256-N260 PolarHBondContact O-N 3.46Å; Q256-N260 PolarHBondContact O-ND2 3.33Å
257Q84Confident81.9Confident128 Ų128106.5 Ų106.560%0.59855%0.546SS*.Hα-helixtrans-64.2-44176.5-72.5176.23.100111.9Q253 Q254 N260 A261Q253-Q257 WeakPolarHBondContact O-CG 3.12Å; Q253-Q257 PolarHBondContact O-N 3Å; Q254-Q257 PolarHBondContact O-N 2.86Å; Q257-N260 PolarHBondContact O-N 2.96Å; Q257-A261 VanDerWaalsContact O-CB 3.27Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3.3Å
258T84.6Confident81.1Confident94 Ų94105.8 Ų105.858%0.57754%0.541SS*.Hα-helixtrans-65.4-41.8177.155.80000111.7Q254 E255 A261 S262Q254-T258 WeakPolarHBondContact O-CG2 3.48Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.07Å; E255-T258 WeakPolarHBondContact CA-OG1 3.37Å; E255-T258 PolarHBondContact O-OG1 3.47Å; T258-A261 PolarHBondContact O-N 3.09Å; T258-S262 WeakPolarHBondContact O-CB 3.04Å; T258-S262 PolarHBondContact O-N 3.19Å; T258-S262 PolarHBondContact O-OG 3.2Å
259R82.2Confident80.4Confident157 Ų157105.6 Ų105.659%0.59254%0.539SS*.Hα-helixtrans-61-48.7174.2-75.4175.3-176.7-175.74112E255 Q256 A261 S262 L263E255-R259 WeakPolarHBondContact O-CB 3.42Å; E255-R259 WeakPolarHBondContact O-CG 3.35Å; E255-R259 PolarHBondContact O-N 3.41Å; Q256-R259 PolarHBondContact O-N 2.88Å; R259-A261 VanDerWaalsContact C-N 3.33Å; R259-A261 PolarHBondContact O-N 3.31Å; R259-S262 WeakPolarHBondContact CA-OG 3.02Å; R259-S262 PolarHBondContact O-N 3.37Å; R259-S262 VanDerWaalsContact O-N 3.16Å; R259-S262 PolarHBondContact O-OG 3.44Å; R259-L263 WeakPolarHBondContact O-CG 3.38Å; R259-L263 PolarHBondContact O-N 3.28Å
260N79.3Confident79.9Confident111 Ų111108.9 Ų108.959%0.59456%0.559SS**Hα-helixtrans-63.4-38.6178.1-69.2-14.7000111.9Q256 Q257 S262 L263 G264Q256-N260 WeakPolarHBondContact O-CB 3.41Å; Q256-N260 PolarHBondContact O-N 3.46Å; Q256-N260 PolarHBondContact O-ND2 3.33Å; Q257-N260 PolarHBondContact O-N 2.96Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.1Å; N260-L263 PolarHBondContact O-N 3.11Å; N260-G264 PolarHBondContact O-N 2.79Å
261A80.3Confident79.2Confident63 Ų63109.7 Ų109.752%0.52157%0.568SS.*Hα-helixtrans-68-29.917500000113.2Q257 T258 R259Q257-A261 VanDerWaalsContact O-CB 3.27Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3.3Å; T258-A261 PolarHBondContact O-N 3.09Å; R259-A261 VanDerWaalsContact C-N 3.33Å; R259-A261 PolarHBondContact O-N 3.31Å
262S74.1Confident78.4Confident80 Ų80109.6 Ų109.656%0.55957%0.571SS**Hα-helixtrans-76.6-26.6174.767.80000113.9T258 R259 N260T258-S262 WeakPolarHBondContact O-CB 3.04Å; T258-S262 PolarHBondContact O-N 3.19Å; T258-S262 PolarHBondContact O-OG 3.2Å; R259-S262 WeakPolarHBondContact CA-OG 3.02Å; R259-S262 PolarHBondContact O-N 3.37Å; R259-S262 VanDerWaalsContact O-N 3.16Å; R259-S262 PolarHBondContact O-OG 3.44Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.1Å
263L73.1Confident77.5Confident140 Ų140109.7 Ų109.773%0.73358%0.579SS**Hα-helixtrans-86.5-16178.7-74.7161.9000113.4R259 N260R259-L263 WeakPolarHBondContact O-CG 3.38Å; R259-L263 PolarHBondContact O-N 3.28Å; N260-L263 PolarHBondContact O-N 3.11Å
264G58.1Low77Confident68 Ų68115.5 Ų115.570%0.70161%0.612SS**THydrogen-bonded Turntrans-95.112.4178.400000115N260N260-G264 PolarHBondContact O-N 2.79Å
265K50.7Low76.1Confident244 Ų244114.5 Ų114.5100%1.06161%0.614SS**  trans-113.30170.2-71.1-173.7179-173.90109.1

Retrieved 265 of 265 residues in 60 ms (Link to these results)