A0A087XQ47_POEFO Loading...

17S U2 SnRNP complex component HTATSF1

AlphaFold DB , UniProt , Accession A0A087XQ47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 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
1M34.8Very low35.6Very low229 Ų229165.4 Ų165.4100%1.12882%0.816SS**  0119.30-73.7169173.200106.5
2L35.6Very low36Very low148 Ų148161.8 Ų161.878%0.77582%0.819SS**  63.8101.9107.7-60.2172000111.2
3H36.5Very low35.7Very low164 Ų164155.2 Ų155.276%0.75982%0.816SS**  101.8139.464.9-105.691.5000111.6
4N35.7Very low36.2Very low146 Ų146162.1 Ų162.178%0.78183%0.826SS**  trans96.3146.7165.7-53.7-15000117.9
5H39.4Very low36.3Very low166 Ų166164 Ų16477%0.76983%0.826SS**  cis-168.3174.4-39.2-151.451.5000108.6
6S34Very low36.5Very low95 Ų95162.9 Ų162.966%0.66482%0.82SS**  trans82.5102.6159.3-49.60000120.3
7D39.3Very low37.1Very low150 Ų150160.5 Ų160.580%0.80282%0.822SS**  trans18.5136.2132.7-60.7-56000122.7
8E33.4Very low37.6Very low172 Ų172154.4 Ų154.480%0.80481%0.805SS**  -162147.898.8-110.4-169.3132.900115.1
9L32.1Very low38Very low141 Ų141153.5 Ų153.574%0.73880%0.796SS**  trans57.997.1154.4-63.6164.8000120.7
10R32.2Very low38.7Very low250 Ų250149.6 Ų149.694%0.94378%0.783SS**  trans-96.9119.3152.6-80.7-179173.3159.6-0.9110.8
11I38.4Very low39.4Very low158 Ų158147 Ų14781%0.8177%0.77SS**  trans-98.9121.4165.9-64.2174.8000108.9G13I11-G13 PolarHBondContact O-N 2.96Å
12S41.2Very low40.3Very low122 Ų122138.9 Ų138.985%0.85374%0.74SS**  trans-82.7103.3177.955.10000111.6
13G32.1Very low41.4Very low76 Ų76136.8 Ų136.878%0.78473%0.729SS**  trans-103.2101.5173.800000112.6I11I11-G13 PolarHBondContact O-N 2.96Å
14R41.7Very low42.8Very low253 Ų253134.7 Ų134.796%0.95572%0.718SS**  trans-91.9111.9170.5-164.9-177.7-167.2-1674.1108.4
15K38.3Very low44.2Very low190 Ų190134.2 Ų134.283%0.82671%0.711SS**  trans-124.4118.1172.7-83.1-165.3173-173.40109.7
16M39.8Very low45.1Very low147 Ų147132.1 Ų132.172%0.72470%0.7SS**  92102.1100-69.7-66.2-8300111.2
17S45.8Very low46.6Very low122 Ų122132 Ų13285%0.85369%0.694SS**SBendtrans-120.342.5178.362.10000111.1
18G46.4Very low48Very low51 Ų51131.1 Ų131.153%0.52669%0.686SS.*  trans-115.8-12.4-174.400000115.4S20G18-S20 PolarHBondContact O-N 3.34Å
19E44.8Very low49.8Very low136 Ų136128.9 Ų128.964%0.63668%0.675SS**Hα-helixtrans-83.1-6.5-172.6-74.7160.6120.300114N23E19-N23 PolarHBondContact O-ND2 2.86Å
20S51.9Low51.5Low76 Ų76127.2 Ų127.253%0.53167%0.666SS.*Hα-helixtrans-82.6-22.6-175.456.30000115.6G18 K24G18-S20 PolarHBondContact O-N 3.34Å; S20-K24 WeakPolarHBondContact O-CE 3.34Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å
21D53.5Low53.3Low94 Ų94124 Ų12450%0.50366%0.655SS.*Hα-helixtrans-93.5-39.7179.7-77.9-21.9000112.5N23 K24 E25D21-N23 PolarHBondContact O-N 3.38Å; D21-K24 WeakPolarHBondContact O-CA 3.24Å; D21-K24 WeakPolarHBondContact O-CB 3.39Å; D21-K24 PolarHBondContact O-N 2.95Å; D21-K24 WeakPolarHBondContact OD1-CE 3.38Å; D21-K24 IonicContact OD1-NZ 2.69Å; D21-K24 PolarHBondContact OD1-NZ 3.34Å; D21-E25 PolarHBondContact O-N 3.16Å
22A55.4Low54.1Low60 Ų60121.4 Ų121.450%0.49664%0.64SS.*Hα-helixtrans-56.5-34.3172.600000112.6K24 F26A22-K24 VanDerWaalsContact C-N 3.34Å; A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.06Å
23N57.4Low55.1Low103 Ų103122.1 Ų122.155%0.55163%0.63SS**Hα-helixtrans-71.5-22.9173.9-83.1-64.3000113.8E19 D21 V27E19-N23 PolarHBondContact O-ND2 2.86Å; D21-N23 PolarHBondContact O-N 3.38Å; N23-V27 WeakPolarHBondContact O-CG2 3.3Å; N23-V27 PolarHBondContact O-N 3.4Å
24K66.1Low56.4Low121 Ų121125.1 Ų125.153%0.52662%0.624SS.*Hα-helixtrans-79.6-47.7173-65.3170.6-165.3159.70110.6S20 D21 A22 F26 V27 E28S20-K24 WeakPolarHBondContact O-CE 3.34Å; S20-K24 WeakPolarHBondContact O-CG 3.42Å; D21-K24 WeakPolarHBondContact O-CA 3.24Å; D21-K24 WeakPolarHBondContact O-CB 3.39Å; D21-K24 PolarHBondContact O-N 2.95Å; D21-K24 WeakPolarHBondContact OD1-CE 3.38Å; D21-K24 IonicContact OD1-NZ 2.69Å; D21-K24 PolarHBondContact OD1-NZ 3.34Å; A22-K24 VanDerWaalsContact C-N 3.34Å; K24-F26 VanDerWaalsContact C-N 3.29Å; K24-F26 PolarHBondContact O-N 3.2Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-V27 VanDerWaalsContact O-N 3.09Å; K24-E28 PolarHBondContact O-N 2.74Å
25E64.6Low57Low135 Ų135118.5 Ų118.563%0.63161%0.607SS**Hα-helixtrans-56.7-44.9176.2-69.3-179.3146.900110.6D21 V27 E28 Q29D21-E25 PolarHBondContact O-N 3.16Å; E25-V27 PolarHBondContact O-N 3.04Å; E25-E28 PolarHBondContact O-N 2.9Å; E25-Q29 WeakPolarHBondContact O-CB 3.1Å; E25-Q29 PolarHBondContact O-N 3.05Å
26F59.5Low57.6Low123 Ų123115.9 Ų115.954%0.53959%0.592SS.*Hα-helixtrans-61-39.6175.6-175.3-100.9000113.3A22 K24 Q29 L30A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.44Å; A22-F26 PolarHBondContact O-N 3.06Å; K24-F26 VanDerWaalsContact C-N 3.29Å; K24-F26 PolarHBondContact O-N 3.2Å; F26-Q29 PolarHBondContact O-N 3.11Å; F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 2.87Å
27V65.9Low57.9Low91 Ų91111.7 Ų111.755%0.55259%0.587SS**Hα-helixtrans-73.4-36.4178.1168.60000111.9N23 K24 E25 R31N23-V27 WeakPolarHBondContact O-CG2 3.3Å; N23-V27 PolarHBondContact O-N 3.4Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-V27 VanDerWaalsContact O-N 3.09Å; E25-V27 PolarHBondContact O-N 3.04Å; V27-R31 WeakPolarHBondContact O-CB 3.47Å; V27-R31 PolarHBondContact O-N 2.69Å
28E68.1Low58Low133 Ų133112.7 Ų112.762%0.62158%0.578SS**Hα-helixtrans-67.3-39.2171.7-72.3-167.4150.500111.7K24 E25 R31 M32K24-E28 PolarHBondContact O-N 2.74Å; E25-E28 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.38Å; E28-M32 WeakPolarHBondContact O-CG 3.29Å; E28-M32 PolarHBondContact O-N 3.4Å
29Q69.9Low57.8Low125 Ų125121.7 Ų121.758%0.58460%0.596SS**Hα-helixtrans-65.1-42.1175.9-165170.635.400111.3E25 F26 R31 M32 Q33E25-Q29 WeakPolarHBondContact O-CB 3.1Å; E25-Q29 PolarHBondContact O-N 3.05Å; F26-Q29 PolarHBondContact O-N 3.11Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.85Å; Q29-M32 PolarHBondContact O-N 3.09Å; Q29-Q33 WeakPolarHBondContact O-CB 3.39Å; Q29-Q33 PolarHBondContact O-N 2.94Å
30L68.3Low57.6Low105 Ų105120.9 Ų120.955%0.5560%0.596SS.*Hα-helixtrans-62.5-41.2173-157.380.2000111.6F26 Q33 E34F26-L30 WeakPolarHBondContact O-CB 3.15Å; F26-L30 PolarHBondContact O-N 2.87Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.04Å; L30-E34 WeakPolarHBondContact O-CB 3.31Å; L30-E34 PolarHBondContact O-N 2.93Å
31R69.5Low57.4Low184 Ų184122.8 Ų122.869%0.69462%0.617SS**Hα-helixtrans-67.8-35.5177.1-171179.6-175.5-177.91.5112.7V27 E28 Q29 L35V27-R31 WeakPolarHBondContact O-CB 3.47Å; V27-R31 PolarHBondContact O-N 2.69Å; E28-R31 PolarHBondContact O-N 3.38Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.85Å; R31-L35 PolarHBondContact O-N 3Å; R31-L35 VanDerWaalsContact O-N 3.16Å
32M56.7Low57.2Low103 Ų103125.4 Ų125.451%0.50763%0.631SS.*Hα-helixtrans-67.6-43.5170.4-74.5-145.9-65.700111.2E28 Q29 E34 L35 Y36E28-M32 WeakPolarHBondContact O-CG 3.29Å; E28-M32 PolarHBondContact O-N 3.4Å; Q29-M32 PolarHBondContact O-N 3.09Å; M32-E34 VanDerWaalsContact C-N 3.26Å; M32-E34 PolarHBondContact O-N 2.84Å; M32-L35 CarbonylContact O-C 3.57Å; M32-L35 WeakPolarHBondContact O-CA 3.21Å; M32-L35 VanDerWaalsContact O-CB 3.3Å; M32-L35 WeakPolarHBondContact O-CB 3.47Å; M32-L35 PolarHBondContact O-N 3.49Å; M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 2.92Å
33Q62.5Low57Low136 Ų136126.5 Ų126.564%0.63665%0.648SS**Hα-helixtrans-56.8-40.4175.6-16385.41800111.8Q29 L30 Y36 G37Q29-Q33 WeakPolarHBondContact O-CB 3.39Å; Q29-Q33 PolarHBondContact O-N 2.94Å; L30-Q33 WeakPolarHBondContact O-CB 3.31Å; L30-Q33 PolarHBondContact O-N 3.04Å; Q33-Y36 PolarHBondContact O-N 3.5Å; Q33-G37 PolarHBondContact O-N 3.33Å
34E58.8Low56.7Low140 Ų140126 Ų12665%0.65465%0.652SS**Hα-helixtrans-69.5-32177.3-163.7166.2-141.700112.4L30 M32 G37 Q38L30-E34 WeakPolarHBondContact O-CB 3.31Å; L30-E34 PolarHBondContact O-N 2.93Å; M32-E34 VanDerWaalsContact C-N 3.26Å; M32-E34 PolarHBondContact O-N 2.84Å; E34-G37 PolarHBondContact O-N 2.81Å; E34-Q38 PolarHBondContact O-N 3.38Å
35L53.1Low56.3Low114 Ų114124.8 Ų124.860%0.59765%0.651SS**Hα-helixtrans-68.1-44.9169.7-106.8154.2000112.5R31 M32 G37 Q38R31-L35 PolarHBondContact O-N 3Å; R31-L35 VanDerWaalsContact O-N 3.16Å; M32-L35 CarbonylContact O-C 3.57Å; M32-L35 WeakPolarHBondContact O-CA 3.21Å; M32-L35 VanDerWaalsContact O-CB 3.3Å; M32-L35 WeakPolarHBondContact O-CB 3.47Å; M32-L35 PolarHBondContact O-N 3.49Å; L35-G37 PolarHBondContact O-N 3.26Å; L35-Q38 PolarHBondContact O-N 3.29Å
36Y51.4Low56.4Low135 Ų135122.5 Ų122.553%0.52965%0.649SS.*Hα-helixtrans-62.5-28.2171.3-79.1-72.7000112.4M32 Q33 Q38 Y47M32-Y36 WeakPolarHBondContact O-CD2 3.48Å; M32-Y36 PolarHBondContact O-N 2.92Å; Q33-Y36 PolarHBondContact O-N 3.5Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Y36-Y47 HydrophobicContact CE1-CE2 4.42Å
37G46.9Very low56.7Low59 Ų59120.9 Ų120.961%0.60864%0.639SS**Hα-helixtrans-71.3-21.617600000114.6Q33 E34 L35 R39Q33-G37 PolarHBondContact O-N 3.33Å; E34-G37 PolarHBondContact O-N 2.81Å; L35-G37 PolarHBondContact O-N 3.26Å; G37-R39 VanDerWaalsContact C-N 3.28Å; G37-R39 PolarHBondContact O-N 2.96Å
38Q47.3Very low57.1Low142 Ų142118.4 Ų118.466%0.66462%0.624SS**  trans-81.274.1177.7-73.3-172.9-0.600111.6E34 L35 Y36 N40E34-Q38 PolarHBondContact O-N 3.38Å; L35-Q38 PolarHBondContact O-N 3.29Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Q38-N40 PolarHBondContact O-N 3.34Å
39R41.4Very low57.4Low240 Ų240117.1 Ų117.191%0.90662%0.615SS**  trans-54.6108.6166.3-102.7178.5158.5173-6.2110.8G37G37-R39 VanDerWaalsContact C-N 3.28Å; G37-R39 PolarHBondContact O-N 2.96Å
40N41.1Very low57.8Low120 Ų120115 Ų11564%0.64261%0.61SS**  trans-66141.7162.6-70.9-42.9000109.4Q38 D42Q38-N40 PolarHBondContact O-N 3.34Å; N40-D42 PolarHBondContact O-N 2.82Å
41A47.9Very low58.1Low116 Ų116111.7 Ų111.796%0.95959%0.593SS**THydrogen-bonded Turntrans-75.113.6-166.500000115.7
42D49.1Very low58.2Low149 Ų149108.3 Ų108.380%0.79760%0.595SS**THydrogen-bonded Turntrans-125.417.5-169.3-151.924.2000113.9N40 S44N40-D42 PolarHBondContact O-N 2.82Å; D42-S44 PolarHBondContact O-N 2.88Å
43G51Low58.7Low83 Ų83109.3 Ų109.386%0.85661%0.606SS**  trans68.6-13.3164.400000118.2
44S52Low59.1Low93 Ų93108.2 Ų108.265%0.6561%0.605SS**  trans-82.3126.6175.2-176.80000111D42D42-S44 PolarHBondContact O-N 2.88Å
45D58.2Low59.6Low94 Ų94104.1 Ų104.150%0.50360%0.601SS.*  trans-77.9126.6-176.9-151.9-1.7000109.9Y47 T48D45-Y47 PolarHBondContact O-N 2.98Å; D45-T48 PolarHBondContact O-N 3.22Å; D45-T48 VanDerWaalsContact O-N 3.11Å; D45-T48 PolarHBondContact O-OG1 3.36Å
46P65.4Low60.7Low88 Ų88100.7 Ų100.757%0.57158%0.584SS**THydrogen-bonded Turntrans-60.5-9.9-169.2-26.835.5000116.6
47Y66.6Low62.2Low88 Ų8896.1 Ų96.135%0.34557%0.57SS.*THydrogen-bonded Turntrans-113.916.4-176-64.8-68.7000113.6Y36 D45 W60 H62 W67Y36-Y47 HydrophobicContact CE1-CE2 4.42Å; D45-Y47 PolarHBondContact O-N 2.98Å; Y47-W60 HydrophobicContact CD1-CB 4.21Å; Y47-W60 AromaticContact CD1-CD1 3.94Å; Y47-W60 HydrophobicContact CD1-CG 4.36Å; Y47-W60 PolarHBondContact O-N 3.43Å; Y47-H62 AromaticContact CD1-CE1 3.99Å; Y47-H62 AromaticContact CD1-NE2 3.38Å; Y47-H62 WeakPolarHBondContact CD1-NE2 3.41Å; Y47-H62 AromaticContact CE1-CE1 3.39Å; Y47-H62 WeakPolarHBondContact CE1-CE1 3.46Å; Y47-H62 AromaticContact CE1-NE2 3.24Å; Y47-H62 WeakPolarHBondContact CE1-NE2 3.41Å; Y47-H62 AromaticContact CE2-NE2 3.92Å; Y47-H62 AromaticContact CG-NE2 3.8Å; Y47-H62 AromaticContact CZ-CE1 3.57Å; Y47-H62 AromaticContact CZ-NE2 3.51Å; Y47-W67 WeakPolarHBondContact O-CZ3 3.33Å
48T73.9Confident63.8Low39 Ų3995.9 Ų95.924%0.23955%0.552CS.*EExtended strand (participates in β ladder)trans-113133.2169.227.80000111.9D45 V57 Y58 K70D45-T48 PolarHBondContact O-N 3.22Å; D45-T48 VanDerWaalsContact O-N 3.11Å; D45-T48 PolarHBondContact O-OG1 3.36Å; T48-V57 HydrophobicContact CG2-CG1 4.1Å; T48-Y58 CarbonylContact C-O 3.57Å; T48-Y58 VanDerWaalsContact CA-O 3.29Å; T48-Y58 WeakPolarHBondContact CA-O 3.19Å; T48-K70 HydrophobicContact CG2-CD 3.96Å
49Y75.3Confident65.5Low107 Ų10791.7 Ų91.742%0.4253%0.534SS..EExtended strand (participates in β ladder)trans-125.7126.4177.8169.9-95.8000109.8D51 Y58 W67Y49-D51 HydrophobicContact CE1-CB 4.13Å; Y49-Y58 HydrophobicContact CD1-CD2 4.31Å; Y49-Y58 PolarHBondContact N-O 3.02Å; Y49-Y58 PolarHBondContact O-N 3.04Å; Y49-W67 VanDerWaalsContact CB-CZ3 3.49Å
50T77.9Confident67.3Low79 Ų7983.8 Ų83.849%0.48550%0.504SS..EExtended strand (participates in β ladder)trans-102.7123.7175.6-51.10000109.5V57T50-V57 HydrophobicContact CG2-CG2 4.03Å
51D74.2Confident69.3Low37 Ų3779.9 Ų79.920%0.19848%0.483CS..  trans-72.5124177.7-163.6-62000110.6Y49 V53 G55 T56 Y58Y49-D51 HydrophobicContact CE1-CB 4.13Å; D51-V53 VanDerWaalsContact C-N 3.27Å; D51-V53 PolarHBondContact O-N 2.92Å; D51-V53 WeakPolarHBondContact OD1-CB 3.39Å; D51-V53 PolarHBondContact OD1-N 2.87Å; D51-G55 VanDerWaalsContact O-CA 3.31Å; D51-G55 WeakPolarHBondContact O-CA 3.46Å; D51-G55 PolarHBondContact O-N 3.05Å; D51-T56 PolarHBondContact N-O 2.93Å; D51-Y58 HydrophobicContact CB-CE2 4.04Å
52P71.9Confident70.2Confident113 Ų11378 Ų7873%0.73445%0.454SS*.THydrogen-bonded Turntrans-74-10.4-177.131.1-36.8000114.6
53V67.8Low71.1Confident123 Ų12379.4 Ų79.475%0.74546%0.456SS*.THydrogen-bonded Turntrans-88-45.7177.9-172.20000110.8D51D51-V53 VanDerWaalsContact C-N 3.27Å; D51-V53 PolarHBondContact O-N 2.92Å; D51-V53 WeakPolarHBondContact OD1-CB 3.39Å; D51-V53 PolarHBondContact OD1-N 2.87Å
54D69.1Low72.3Confident114 Ų11481.7 Ų81.761%0.6144%0.442SS*.THydrogen-bonded Turntrans-108.2-5.9-170.1-61.8-18.9000113.4T56D54-T56 PolarHBondContact O-N 3.32Å
55G70.1Confident73.7Confident54 Ų5484.9 Ų84.956%0.55745%0.445SS*.  trans66.42.4-177.700000114.9D51D51-G55 VanDerWaalsContact O-CA 3.31Å; D51-G55 WeakPolarHBondContact O-CA 3.46Å; D51-G55 PolarHBondContact O-N 3.05Å
56T76.2Confident74.8Confident41 Ų4182.1 Ų82.125%0.25243%0.434SS..  trans-77.2129.6-176.2-61.80000110.1D51 D54 Y58 P69D51-T56 PolarHBondContact N-O 2.93Å; D54-T56 PolarHBondContact O-N 3.32Å; T56-Y58 HydrophobicContact CG2-CD2 4.37Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; T56-Y58 VanDerWaalsContact O-CD2 3.31Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.48Å; T56-P69 HydrophobicContact CG2-CB 4.26Å
57V82.4Confident75.5Confident39 Ų3983.1 Ų83.124%0.23643%0.427CS..EExtended strand (participates in β ladder)trans-86.9137.1176.4-171.50000109.2T48 T50 K70T48-V57 HydrophobicContact CG2-CG1 4.1Å; T50-V57 HydrophobicContact CG2-CG2 4.03Å; V57-K70 HydrophobicContact CB-CB 4.38Å; V57-K70 HydrophobicContact CG1-CB 4.38Å; V57-K70 HydrophobicContact CG1-CD 4.32Å; V57-K70 WeakPolarHBondContact O-CB 3.5Å; V57-K70 PolarHBondContact O-N 3.4Å
58Y81.6Confident76.1Confident55 Ų5583.2 Ų83.222%0.21643%0.429CS..EExtended strand (participates in β ladder)trans-120145.7177.6-64.7-104.2000110.2T48 Y49 D51 T56 W67 F68 P69T48-Y58 CarbonylContact C-O 3.57Å; T48-Y58 VanDerWaalsContact CA-O 3.29Å; T48-Y58 WeakPolarHBondContact CA-O 3.19Å; Y49-Y58 HydrophobicContact CD1-CD2 4.31Å; Y49-Y58 PolarHBondContact N-O 3.02Å; Y49-Y58 PolarHBondContact O-N 3.04Å; D51-Y58 HydrophobicContact CB-CE2 4.04Å; T56-Y58 HydrophobicContact CG2-CD2 4.37Å; T56-Y58 HydrophobicContact CG2-CE2 3.8Å; T56-Y58 VanDerWaalsContact O-CD2 3.31Å; T56-Y58 WeakPolarHBondContact O-CD2 3.43Å; T56-Y58 WeakPolarHBondContact O-CE2 3.48Å; Y58-W67 HydrophobicContact CD1-CB 4.3Å; Y58-F68 CarbonylContact C-O 3.53Å; Y58-F68 WeakPolarHBondContact CA-O 3.47Å; Y58-P69 HydrophobicContact CD1-CB 4.37Å; Y58-P69 HydrophobicContact CD1-CG 4.09Å; Y58-P69 HydrophobicContact CE1-CB 4.21Å; Y58-P69 HydrophobicContact CE1-CG 3.68Å
59D83.3Confident76.3Confident54 Ų5484.9 Ų84.929%0.28944%0.441SS..EExtended strand (participates in β ladder)trans-110.9144.1173.6-130-29.5000109.8W67 F68 K70D59-W67 WeakPolarHBondContact O-CA 3.3Å; D59-F68 PolarHBondContact N-O 2.87Å; D59-F68 PolarHBondContact O-N 2.89Å; D59-K70 HydrophobicContact CB-CD 4.38Å; D59-K70 IonicContact OD1-NZ 2.75Å; D59-K70 WeakPolarHBondContact OD2-CD 3.23Å; D59-K70 WeakPolarHBondContact OD2-CE 3.22Å; D59-K70 IonicContact OD2-NZ 3.11Å; D59-K70 PolarHBondContact OD2-NZ 2.79Å
60W78.4Confident76.4Confident74 Ų7483.4 Ų83.428%0.2844%0.436SS..EExtended strand (participates in β ladder)trans-90.6111.7179.4178.8-101.1000112Y47 H62 K65 A66 W67Y47-W60 HydrophobicContact CD1-CB 4.21Å; Y47-W60 AromaticContact CD1-CD1 3.94Å; Y47-W60 HydrophobicContact CD1-CG 4.36Å; Y47-W60 PolarHBondContact O-N 3.43Å; W60-H62 AromaticContact CD1-CD2 3.54Å; W60-H62 AromaticContact CD1-CE1 3.91Å; W60-H62 AromaticContact CD1-CG 3.9Å; W60-H62 AromaticContact CD1-NE2 3.56Å; W60-H62 PolarHBondContact O-N 3.44Å; W60-K65 HydrophobicContact CH2-CB 4.22Å; W60-K65 WeakPolarHBondContact CH2-O 3.32Å; W60-K65 HydrophobicContact CZ2-CB 3.93Å; W60-A66 VanDerWaalsContact CE3-C 3.43Å; W60-W67 HydrophobicContact CB-CD2 4.21Å; W60-W67 HydrophobicContact CB-CE3 3.89Å; W60-W67 HydrophobicContact CB-CH2 3.92Å; W60-W67 HydrophobicContact CB-CZ2 4.22Å; W60-W67 HydrophobicContact CB-CZ3 3.75Å; W60-W67 HydrophobicContact CE3-CB 4.49Å; W60-W67 AromaticContact CE3-CD1 3.5Å; W60-W67 AromaticContact CE3-CD2 3.74Å; W60-W67 HydrophobicContact CE3-CD2 3.74Å; W60-W67 AromaticContact CE3-CE2 3.58Å; W60-W67 AromaticContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CZ2 4.27Å; W60-W67 AromaticContact CE3-NE1 3.41Å; W60-W67 AromaticContact CZ3-CD1 3.57Å; W60-W67 HydrophobicContact CZ3-CG 4.15Å; W60-W67 AromaticContact CZ3-NE1 3.62Å
61D82.3Confident76.1Confident37 Ų3785.7 Ų85.720%0.19844%0.444CS..EExtended strand (participates in β ladder)trans-80.8111.7172.9-177.8-27.8000109.7E63 K64 K65 A66 F68D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 2.98Å; D61-K64 HydrophobicContact CB-CB 4.34Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-K64 WeakPolarHBondContact OD2-CD 3.25Å; D61-K64 WeakPolarHBondContact OD2-CG 3.21Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 2.98Å; D61-K65 VanDerWaalsContact O-CA 3.25Å; D61-K65 WeakPolarHBondContact O-CA 3.18Å; D61-K65 PolarHBondContact O-N 2.79Å; D61-A66 PolarHBondContact N-O 3.02Å; D61-A66 PolarHBondContact O-N 2.81Å; D61-F68 HydrophobicContact CB-CD2 3.58Å; D61-F68 HydrophobicContact CB-CE2 3.69Å
62H67.4Low75.8Confident78 Ų7886.5 Ų86.536%0.36145%0.451SS..THydrogen-bonded Turntrans-70.2-28.1-179.3-78.8-101.7000114.3Y47 W60Y47-H62 AromaticContact CD1-CE1 3.99Å; Y47-H62 AromaticContact CD1-NE2 3.38Å; Y47-H62 WeakPolarHBondContact CD1-NE2 3.41Å; Y47-H62 AromaticContact CE1-CE1 3.39Å; Y47-H62 WeakPolarHBondContact CE1-CE1 3.46Å; Y47-H62 AromaticContact CE1-NE2 3.24Å; Y47-H62 WeakPolarHBondContact CE1-NE2 3.41Å; Y47-H62 AromaticContact CE2-NE2 3.92Å; Y47-H62 AromaticContact CG-NE2 3.8Å; Y47-H62 AromaticContact CZ-CE1 3.57Å; Y47-H62 AromaticContact CZ-NE2 3.51Å; W60-H62 AromaticContact CD1-CD2 3.54Å; W60-H62 AromaticContact CD1-CE1 3.91Å; W60-H62 AromaticContact CD1-CG 3.9Å; W60-H62 AromaticContact CD1-NE2 3.56Å; W60-H62 PolarHBondContact O-N 3.44Å
63E68.9Low75.3Confident178 Ų17889.2 Ų89.283%0.83245%0.454SS*.THydrogen-bonded Turntrans-73-41.5178.2-62-172.5160.700110.2D61D61-E63 WeakPolarHBondContact OD1-CB 3.39Å; D61-E63 PolarHBondContact OD1-N 2.98Å
64K76.4Confident75.2Confident130 Ų13089.9 Ų89.957%0.56545%0.453SS*.THydrogen-bonded Turntrans-92.2-12.2-178-57.7-172.5-166.186.60113.8D61 A66 F68D61-K64 HydrophobicContact CB-CB 4.34Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-K64 WeakPolarHBondContact OD2-CD 3.25Å; D61-K64 WeakPolarHBondContact OD2-CG 3.21Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 2.98Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.38Å; K64-F68 HydrophobicContact CB-CE2 4.01Å; K64-F68 HydrophobicContact CB-CZ 4.35Å; K64-F68 HydrophobicContact CD-CE2 4.01Å; K64-F68 HydrophobicContact CD-CZ 3.77Å
65K79.5Confident75.1Confident161 Ų16189.7 Ų89.770%0.745%0.447SS*.THydrogen-bonded Turntrans51.748.1-177.1-59178.8-177.3175.60112.3W60 D61W60-K65 HydrophobicContact CH2-CB 4.22Å; W60-K65 WeakPolarHBondContact CH2-O 3.32Å; W60-K65 HydrophobicContact CZ2-CB 3.93Å; D61-K65 VanDerWaalsContact O-CA 3.25Å; D61-K65 WeakPolarHBondContact O-CA 3.18Å; D61-K65 PolarHBondContact O-N 2.79Å
66A82.7Confident75.3Confident35 Ų3590.7 Ų90.729%0.28944%0.438SS..EExtended strand (participates in β ladder)trans-145.8152.2-178.900000111.7W60 D61 K64 F68W60-A66 VanDerWaalsContact CE3-C 3.43Å; D61-A66 PolarHBondContact N-O 3.02Å; D61-A66 PolarHBondContact O-N 2.81Å; K64-A66 VanDerWaalsContact C-N 3.32Å; K64-A66 PolarHBondContact O-N 3.38Å; A66-F68 HydrophobicContact CB-CD2 4.47Å; A66-F68 HydrophobicContact CB-CE2 3.82Å; A66-F68 HydrophobicContact CB-CZ 4.31Å; A66-F68 WeakPolarHBondContact O-CD2 3.43Å
67W80.3Confident75.1Confident110 Ų11090.9 Ų90.942%0.41745%0.445SS..EExtended strand (participates in β ladder)trans-81.5125.5172.4-70102.7000110Y47 Y49 Y58 D59 W60Y47-W67 WeakPolarHBondContact O-CZ3 3.33Å; Y49-W67 VanDerWaalsContact CB-CZ3 3.49Å; Y58-W67 HydrophobicContact CD1-CB 4.3Å; D59-W67 WeakPolarHBondContact O-CA 3.3Å; W60-W67 HydrophobicContact CB-CD2 4.21Å; W60-W67 HydrophobicContact CB-CE3 3.89Å; W60-W67 HydrophobicContact CB-CH2 3.92Å; W60-W67 HydrophobicContact CB-CZ2 4.22Å; W60-W67 HydrophobicContact CB-CZ3 3.75Å; W60-W67 HydrophobicContact CE3-CB 4.49Å; W60-W67 AromaticContact CE3-CD1 3.5Å; W60-W67 AromaticContact CE3-CD2 3.74Å; W60-W67 HydrophobicContact CE3-CD2 3.74Å; W60-W67 AromaticContact CE3-CE2 3.58Å; W60-W67 AromaticContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CG 3.69Å; W60-W67 HydrophobicContact CE3-CZ2 4.27Å; W60-W67 AromaticContact CE3-NE1 3.41Å; W60-W67 AromaticContact CZ3-CD1 3.57Å; W60-W67 HydrophobicContact CZ3-CG 4.15Å; W60-W67 AromaticContact CZ3-NE1 3.62Å
68F77.8Confident74.5Confident90 Ų9091.6 Ų91.640%0.39545%0.454SS..EExtended strand (participates in β ladder)trans-114.1138.2177-74-87.4000110.9Y58 D59 D61 K64 A66 K70Y58-F68 CarbonylContact C-O 3.53Å; Y58-F68 WeakPolarHBondContact CA-O 3.47Å; D59-F68 PolarHBondContact N-O 2.87Å; D59-F68 PolarHBondContact O-N 2.89Å; D61-F68 HydrophobicContact CB-CD2 3.58Å; D61-F68 HydrophobicContact CB-CE2 3.69Å; K64-F68 HydrophobicContact CB-CE2 4.01Å; K64-F68 HydrophobicContact CB-CZ 4.35Å; K64-F68 HydrophobicContact CD-CE2 4.01Å; K64-F68 HydrophobicContact CD-CZ 3.77Å; A66-F68 HydrophobicContact CB-CD2 4.47Å; A66-F68 HydrophobicContact CB-CE2 3.82Å; A66-F68 HydrophobicContact CB-CZ 4.31Å; A66-F68 WeakPolarHBondContact O-CD2 3.43Å; F68-K70 PolarHBondContact O-N 2.99Å
69P79.8Confident74.1Confident73 Ų7395.7 Ų95.747%0.47447%0.47SS..EExtended strand (participates in β ladder)trans-58.1123.8176.2-18.928.5000110.7T56 Y58 I71T56-P69 HydrophobicContact CG2-CB 4.26Å; Y58-P69 HydrophobicContact CD1-CB 4.37Å; Y58-P69 HydrophobicContact CD1-CG 4.09Å; Y58-P69 HydrophobicContact CE1-CB 4.21Å; Y58-P69 HydrophobicContact CE1-CG 3.68Å; P69-I71 PolarHBondContact O-N 2.86Å
70K76Confident73.7Confident77 Ų7799.1 Ų99.134%0.33549%0.485SS..  trans-76.6113.5177.8-164.5164-171.6147.60107.8T48 V57 D59 F68 T72T48-K70 HydrophobicContact CG2-CD 3.96Å; V57-K70 HydrophobicContact CB-CB 4.38Å; V57-K70 HydrophobicContact CG1-CB 4.38Å; V57-K70 HydrophobicContact CG1-CD 4.32Å; V57-K70 WeakPolarHBondContact O-CB 3.5Å; V57-K70 PolarHBondContact O-N 3.4Å; D59-K70 HydrophobicContact CB-CD 4.38Å; D59-K70 IonicContact OD1-NZ 2.75Å; D59-K70 WeakPolarHBondContact OD2-CD 3.23Å; D59-K70 WeakPolarHBondContact OD2-CE 3.22Å; D59-K70 IonicContact OD2-NZ 3.11Å; D59-K70 PolarHBondContact OD2-NZ 2.79Å; F68-K70 PolarHBondContact O-N 2.99Å; K70-T72 VanDerWaalsContact C-N 3.28Å; K70-T72 HydrophobicContact CG-CG2 4.32Å; K70-T72 PolarHBondContact O-N 2.83Å
71I71.8Confident73.3Confident126 Ų12699.6 Ų99.665%0.64651%0.505SS*.  trans-7287.4178.1-55.7172.9000107.8P69 F75 I76P69-I71 PolarHBondContact O-N 2.86Å; I71-F75 HydrophobicContact CG2-CD1 4.23Å; I71-I76 HydrophobicContact CG2-CD1 3.89Å; I71-I76 HydrophobicContact CG2-CG1 3.68Å
72T68.8Low72.7Confident54 Ų54104.5 Ų104.533%0.33153%0.531SS..  trans-83161176.953.20000111.4K70 D74 F75 I76K70-T72 VanDerWaalsContact C-N 3.28Å; K70-T72 HydrophobicContact CG-CG2 4.32Å; K70-T72 PolarHBondContact O-N 2.83Å; T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact O-N 3.21Å; T72-F75 WeakPolarHBondContact O-CB 3.29Å; T72-F75 PolarHBondContact O-N 2.77Å; T72-I76 PolarHBondContact O-N 3.32Å
73E61.4Low72.7Confident171 Ų171109.3 Ų109.380%0.79955%0.547SS*.Hα-helixtrans-58.5-38.2179.6-163.5166.1-160.800112F75 I76 A77E73-F75 PolarHBondContact O-N 3Å; E73-I76 PolarHBondContact O-N 2.96Å; E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.45Å
74D65.4Low71.4Confident136 Ų136103.2 Ų103.273%0.72753%0.532SS*.Hα-helixtrans-63.2-36.4172.1-87-18.9000113.4T72 A77 A78T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact O-N 3.21Å; D74-A77 PolarHBondContact O-N 2.77Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.18Å
75F66.4Low69.8Low111 Ų111105.4 Ų105.449%0.48754%0.542SS..Hα-helixtrans-68.4-41176-179.6-90.9000111I71 T72 E73 Y79I71-F75 HydrophobicContact CG2-CD1 4.23Å; T72-F75 WeakPolarHBondContact O-CB 3.29Å; T72-F75 PolarHBondContact O-N 2.77Å; E73-F75 PolarHBondContact O-N 3Å; F75-Y79 VanDerWaalsContact O-CB 3.32Å; F75-Y79 WeakPolarHBondContact O-CB 3.41Å; F75-Y79 PolarHBondContact O-N 3.02Å
76I73.7Confident68Low74 Ų74104.1 Ų104.138%0.37955%0.548SS..Hα-helixtrans-63.1-45.4173.9-61.9171.3000110I71 T72 E73 Y79 Q80I71-I76 HydrophobicContact CG2-CD1 3.89Å; I71-I76 HydrophobicContact CG2-CG1 3.68Å; T72-I76 PolarHBondContact O-N 3.32Å; E73-I76 PolarHBondContact O-N 2.96Å; I76-Y79 PolarHBondContact O-N 3.34Å; I76-Q80 HydrophobicContact CG2-CG 4.37Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.3Å; I76-Q80 WeakPolarHBondContact O-CG 3.44Å; I76-Q80 PolarHBondContact O-N 3.21Å
77A72.8Confident65.9Low46 Ų46110.4 Ų110.438%0.3857%0.571SS.*Hα-helixtrans-62.8-44.3178.300000112.3E73 D74 Q80 A81E73-A77 WeakPolarHBondContact O-CB 3.21Å; E73-A77 PolarHBondContact O-N 3.45Å; D74-A77 PolarHBondContact O-N 2.77Å; A77-Q80 PolarHBondContact O-N 3.3Å; A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.99Å
78A69.4Low63.8Low53 Ų53114.4 Ų114.444%0.43859%0.594SS.*Hα-helixtrans-65.1-37.9176.100000112.5D74 N82D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.38Å; D74-A78 PolarHBondContact O-N 3.18Å; A78-N82 WeakPolarHBondContact O-CB 3.17Å; A78-N82 PolarHBondContact O-N 2.9Å
79Y72.7Confident61.6Low141 Ų141114 Ų11455%0.55362%0.616SS**Hα-helixtrans-65.4-47.3174.2-178.7-99.9000111.7F75 I76 A81 N82 Y83F75-Y79 VanDerWaalsContact O-CB 3.32Å; F75-Y79 WeakPolarHBondContact O-CB 3.41Å; F75-Y79 PolarHBondContact O-N 3.02Å; I76-Y79 PolarHBondContact O-N 3.34Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 2.92Å; Y79-N82 PolarHBondContact O-N 3.15Å; Y79-Y83 AromaticContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CE2 4.46Å; Y79-Y83 AromaticContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 4.15Å; Y79-Y83 HydrophobicContact CE2-CG 4.33Å; Y79-Y83 PolarHBondContact O-N 3.42Å
80Q75.3Confident59.3Low126 Ų126117.9 Ų117.959%0.58963%0.633SS**Hα-helixtrans-61.4-40.1175.5-72.9175.80.400112.1I76 A77 G84I76-Q80 HydrophobicContact CG2-CG 4.37Å; I76-Q80 WeakPolarHBondContact O-CB 3.42Å; I76-Q80 VanDerWaalsContact O-CG 3.3Å; I76-Q80 WeakPolarHBondContact O-CG 3.44Å; I76-Q80 PolarHBondContact O-N 3.21Å; A77-Q80 PolarHBondContact O-N 3.3Å; Q80-G84 PolarHBondContact O-N 2.65Å
81A71.4Confident58Low85 Ų85119.8 Ų119.870%0.70265%0.653SS**Hα-helixtrans-65.7-36.2177.300000113.1A77 Y79A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.99Å; Y79-A81 VanDerWaalsContact C-N 3.34Å; Y79-A81 PolarHBondContact O-N 2.92Å
82N69.6Low55.9Low140 Ų140117.2 Ų117.275%0.74966%0.658SS**Hα-helixtrans-82.8-30.1178.5-86.7-22.3000114.1A78 Y79A78-N82 WeakPolarHBondContact O-CB 3.17Å; A78-N82 PolarHBondContact O-N 2.9Å; Y79-N82 PolarHBondContact O-N 3.15Å
83Y67.4Low54.2Low179 Ų179119 Ų11970%0.70268%0.678SS**Hα-helixtrans-105.8-10.8-174.8-82-82.6000115.8Y79Y79-Y83 AromaticContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CD2 3.95Å; Y79-Y83 HydrophobicContact CD2-CE2 4.46Å; Y79-Y83 AromaticContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CD2 3.74Å; Y79-Y83 HydrophobicContact CE2-CE2 4.15Å; Y79-Y83 HydrophobicContact CE2-CG 4.33Å; Y79-Y83 PolarHBondContact O-N 3.42Å
84G41.8Very low52.7Low50 Ų50119.7 Ų119.752%0.51568%0.678SS.*  trans84125.3164.400000114.7Q80 T86Q80-G84 PolarHBondContact O-N 2.65Å; G84-T86 PolarHBondContact O-N 2.86Å
85F41.9Very low51.1Low175 Ų175120 Ų12077%0.76868%0.68SS**  trans-49.9116.1170.4-176.3-106.3000112.6E87F85-E87 HydrophobicContact CD1-CB 3.92Å; F85-E87 HydrophobicContact CE1-CB 3.54Å; F85-E87 HydrophobicContact CE1-CG 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.44Å; F85-E87 HydrophobicContact CZ-CG 4.4Å
86T41.9Very low49.4Very low134 Ų134120.4 Ų120.482%0.82269%0.691SS**  trans-85.1108.9159.745.50000108.7G84 E88G84-T86 PolarHBondContact O-N 2.86Å; T86-E88 PolarHBondContact O-N 2.97Å; T86-E88 VanDerWaalsContact O-N 3.08Å
87E39Very low47.4Very low168 Ų168121.1 Ų121.179%0.78571%0.708SS**  trans-75.691.6177-169.4169.4-128.500110.6F85F85-E87 HydrophobicContact CD1-CB 3.92Å; F85-E87 HydrophobicContact CE1-CB 3.54Å; F85-E87 HydrophobicContact CE1-CG 3.73Å; F85-E87 HydrophobicContact CZ-CB 4.44Å; F85-E87 HydrophobicContact CZ-CG 4.4Å
88E35.5Very low45.4Very low193 Ų193128 Ų12890%0.90273%0.733SS**  trans-149.893.4157.5-134.6176.9-150.100111.4T86T86-E88 PolarHBondContact O-N 2.97Å; T86-E88 VanDerWaalsContact O-N 3.08Å
89G32Very low43.4Very low83 Ų83131.6 Ų131.686%0.85675%0.754SS**  trans85.9109.6154.900000119.2
90D31.6Very low41.2Very low153 Ų153127.7 Ų127.782%0.81876%0.757SS**  trans-149.5155158.3-162.350.3000107.8
91P48.4Very low38.9Very low117 Ų117126.8 Ų126.876%0.7676%0.764SS**  cis-122.3156.3-1.512.712.5000115.9
92G27Very low36.9Very low73 Ų73130.8 Ų130.875%0.75377%0.768SS**  trans-164.7-0.2178.500000119.5
93A32.9Very low35.2Very low91 Ų91129.7 Ų129.775%0.75277%0.769SS**  trans43.2102.2163.200000120.1
94K30.1Very low33.3Very low185 Ų185126.9 Ų126.980%0.80477%0.77SS**  170.6146.7104.6-96.1170.7-177.8173.40115.1
95N32.2Very low32.9Very low142 Ų142128.4 Ų128.476%0.75978%0.778SS**  trans68.5151.3152.2-64.9-19.8000117.5
96V30.3Very low32.4Very low121 Ų121126 Ų12673%0.73378%0.78SS**  cis174.1130.5-24131.50000103.4
97A32.2Very low31.7Very low88 Ų88128.2 Ų128.273%0.72778%0.781SS**  trans60.6158.3163.600000117.6
98Q31.2Very low31Very low192 Ų192125.4 Ų125.490%0.89778%0.78SS**  cis-159.4137.41.9-141.3167.56.200110.2
99S26.3Very low30.5Very low128 Ų128123.8 Ų123.890%0.89578%0.777SS**  trans-171142.2156.8-156.80000107.5
100G26.3Very low30.4Very low58 Ų58124.8 Ų124.860%0.59877%0.771SS**  cis152.789.26.200000109.6
101S27.2Very low30.1Very low107 Ų107127.3 Ų127.375%0.74878%0.775SS**  trans51.6117.7161.559.10000121.1
102E30.1Very low29Very low170 Ų170129.6 Ų129.679%0.79478%0.78SS**  trans69.1150.3136.1-81.4-168.711300120
103P34.4Very low29.4Very low116 Ų116131.3 Ų131.375%0.75378%0.778SS**  cis-145.6159.544.141.5-21.4000120.4
104V27.3Very low29.1Very low121 Ų121133.9 Ų133.973%0.73377%0.774SS**  trans38.4132.1130.1-169.60000120.8
105A33.7Very low28.9Very low82 Ų82132.7 Ų132.768%0.67877%0.769SS**  trans-62.1175.5175.900000115.8
106P30.4Very low28.6Very low124 Ų124132.4 Ų132.481%0.80576%0.763SS**  -141.8155.5100.640.9-29.4000115.8
107E27.1Very low28.3Very low181 Ų181134.1 Ų134.185%0.84676%0.761SS**  trans-63.8164.3154.1-40.5178.5132.300108.9
108S24.8Very low27.9Very low109 Ų109135.2 Ų135.276%0.76276%0.763SS**  cis-168.7156.424.547.80000108.3
109N24.9Very low27.6Very low158 Ų158130.9 Ų130.985%0.84576%0.76SS**  164.7107.1114-167.713.6000110.2
110S29.6Very low27.5Very low105 Ų105132.3 Ų132.373%0.73476%0.757SS**  trans-90135.6174.249.80000111
111K25.4Very low27.8Very low205 Ų205135.1 Ų135.189%0.89177%0.765SS**  trans-164.6124.4132.4-117.5169.2-178.4174.30114.6
112L24.9Very low27.9Very low166 Ų166134.1 Ų134.187%0.86976%0.763SS**  trans-115.7167.4153.9-85174.4000108.7
113P36.7Very low27.9Very low108 Ų108132 Ų13270%0.70177%0.765SS**  trans-111.7178.7-14642.4-37.6000114.6
114E26.4Very low27.3Very low145 Ų145131.6 Ų131.668%0.67876%0.764SS**  -177.4139.6123.5-89.6-126.4111.600112.9
115K26.5Very low27.6Very low160 Ų160131.7 Ų131.770%0.69677%0.767SS**  trans53.7151.4142.6-75.8176.3-174.1131.80121.5
116E24.7Very low27.3Very low137 Ų137131.9 Ų131.964%0.6477%0.769SS**  cis-144.8159.212.1-92.3-149.9117.400113.7
117K24.1Very low27.2Very low157 Ų157131.4 Ų131.468%0.68376%0.764SS**  trans79.3113142.3-81.5167.6-177.3141.10124.6
118S24.6Very low27.2Very low111 Ų111130.7 Ų130.778%0.77676%0.76SS**  73.2109.412963.30000122.4
119A24.1Very low27.4Very low100 Ų100133.2 Ų133.283%0.82676%0.76SS**  169.1142.698.500000112.9
120N24.2Very low27.7Very low158 Ų158134.5 Ų134.585%0.84576%0.761SS**  trans-83.7169.1175.1-98.7-21.9000111.5
121P33.1Very low27.5Very low118 Ų118138.7 Ų138.777%0.76677%0.769SS**  cis-143.3170.830.240.5-19.8000120.3
122A28.1Very low27.7Very low85 Ų85134.9 Ų134.970%0.70277%0.768SS**  trans-17.8161.2152.100000119.7
123P30.2Very low27.9Very low127 Ų127132.3 Ų132.383%0.82576%0.764SS**  cis-143.6167.234.141.4-21.5000120.8
124S23Very low27.6Very low107 Ų107131.5 Ų131.575%0.74877%0.766SS**  trans-76.3176.6168-32.10000112.7
125P33.8Very low27.8Very low123 Ų123134.6 Ų134.680%0.79978%0.778SS**  -124.7155.961.2817.3000113.9
126A26.8Very low28Very low86 Ų86135.2 Ų135.271%0.71178%0.783SS**  70.6139.16200000113
127T27.9Very low28.4Very low114 Ų114133.2 Ų133.270%0.69979%0.79SS**  cis-156.5153.611.9-30.90000107.3
128E28.2Very low28.9Very low165 Ų165135 Ų13577%0.77180%0.798SS**  173.6128.583.4-104.4159.9-167.800107.4
129Q28.5Very low29.6Very low163 Ų163138.9 Ų138.976%0.76280%0.803SS**  56.5129.2100.6-60.7-170.313.400114.6
130Q31Very low30Very low185 Ų185143.8 Ų143.886%0.86481%0.806SS**  cis-159.4158.248.7-130.616221.600113.3
131E26.1Very low31Very low193 Ų193140.2 Ų140.290%0.90281%0.806SS**  trans-86.3152.8177.4-58.5170.4121.300113.2
132S28.7Very low31.2Very low125 Ų125143 Ų14387%0.87481%0.809SS**  trans-155.5146.414163.20000112.3
133S29.1Very low32.1Very low112 Ų112148.4 Ų148.478%0.78382%0.817SS**  trans-88.6144.3-160.755.70000116.4
134A30.7Very low32.8Very low90 Ų90153.9 Ų153.974%0.74482%0.821SS**  trans38.1124.213700000121.1
135K29.8Very low34.1Very low211 Ų211158 Ų15892%0.91783%0.825SS**  -168.6150.6106.7-104.2168.7-176.21790113.3
136E30.6Very low34.6Very low173 Ų173156.4 Ų156.481%0.80882%0.823SS**  trans-70.9144.9178.2-64.6164.187.900113
137A34.4Very low35.5Very low94 Ų94160.4 Ų160.478%0.77783%0.827SS**  trans-146.998.6151.100000109.6Q139A137-Q139 PolarHBondContact O-N 3.16Å; A137-Q139 VanDerWaalsContact O-N 3.16Å
138K34Very low36.6Very low196 Ų196159 Ų15985%0.85282%0.82SS**  trans-61.9112.5169.8-76.5174.2176169.90109.4
139Q39.1Very low37.7Very low191 Ų191153.7 Ų153.789%0.89381%0.809SS**  trans-99.2101.6157.7-77.5-162.8-5.500111.1A137A137-Q139 PolarHBondContact O-N 3.16Å; A137-Q139 VanDerWaalsContact O-N 3.16Å
140K32.9Very low38.9Very low203 Ų203150.2 Ų150.288%0.88379%0.789SS**  trans-19.1139.3154.1-162.1171.7-175.6176.80114.1E142K140-E142 PolarHBondContact O-N 3.06Å
141G45.2Very low40.2Very low83 Ų83145.2 Ų145.286%0.85677%0.765SS**  trans-58.2107.1-169.900000115.1
142E37.2Very low41.7Very low177 Ų177143 Ų14383%0.82776%0.759SS**  trans-87.6134.5151.9-165171.614500108.1K140 R144K140-E142 PolarHBondContact O-N 3.06Å; E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 2.82Å
143K47.7Very low43.4Very low198 Ų198139.9 Ų139.986%0.86173%0.732SS**  trans-62.597.7172-75.7177.3178.9172.40107.5K145K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 2.91Å
144R44.3Very low45.2Very low242 Ų242139.2 Ų139.291%0.91372%0.717SS**  trans-52.898.2166.7-84.4-175.7173.3173.2-2107.4E142 A146E142-R144 VanDerWaalsContact C-N 3.32Å; E142-R144 PolarHBondContact O-N 2.82Å; R144-A146 PolarHBondContact O-N 2.65Å
145K49.6Very low47Very low193 Ų193142 Ų14284%0.83972%0.715SS**  trans-51.1115.9147.7-69.7178.7-179.3172.40103.1K143 E147K143-K145 VanDerWaalsContact C-N 3.27Å; K143-K145 PolarHBondContact O-N 2.91Å; K145-E147 PolarHBondContact O-N 2.94Å
146A46Very low49Very low90 Ų90137.8 Ų137.874%0.74470%0.702SS**  trans-51.6121.617500000106.4R144R144-A146 PolarHBondContact O-N 2.65Å
147E44.3Very low51.4Low170 Ų170137.3 Ų137.379%0.79469%0.693SS**  trans-41.4133.5165.5-77.6-79.4116.400106.6K145 G149K145-E147 PolarHBondContact O-N 2.94Å; E147-G149 PolarHBondContact O-N 3.13Å
148P51.3Low53.8Low84 Ų84133.3 Ų133.355%0.54566%0.658SS.*  trans-73.257179.331.7-35.2000110.1Y250 A252P148-Y250 HydrophobicContact CB-CD1 4.47Å; P148-Y250 HydrophobicContact CB-CE1 4.09Å; P148-Y250 WeakPolarHBondContact O-CD1 3.45Å; P148-Y250 WeakPolarHBondContact O-CE1 3.43Å; P148-A252 HydrophobicContact CB-CB 4.29Å
149G52.6Low56.5Low54 Ų54125.8 Ų125.856%0.55763%0.629SS**PPolyproline II helixtrans-58.5148.3170.800000109.7E147 F151E147-G149 PolarHBondContact O-N 3.13Å; G149-F151 PolarHBondContact O-N 2.83Å
150W52.7Low59.1Low90 Ų90117.8 Ų117.834%0.34159%0.592SS.*PPolyproline II helixtrans-51.1136.3176.4-177.7-114.6000110.1D152 F244 L246 Y250W150-D152 PolarHBondContact O-N 3.1Å; W150-F244 WeakPolarHBondContact CZ2-O 3.38Å; W150-F244 PolarHBondContact NE1-O 3.43Å; W150-L246 HydrophobicContact CB-CD2 4.08Å; W150-L246 HydrophobicContact CD2-CB 3.58Å; W150-L246 HydrophobicContact CD2-CD1 4.01Å; W150-L246 HydrophobicContact CD2-CD2 4.2Å; W150-L246 HydrophobicContact CD2-CG 4.1Å; W150-L246 HydrophobicContact CE3-CB 4.1Å; W150-L246 HydrophobicContact CE3-CD1 3.57Å; W150-L246 HydrophobicContact CE3-CD2 4.26Å; W150-L246 HydrophobicContact CE3-CG 4.15Å; W150-L246 HydrophobicContact CG-CB 3.8Å; W150-L246 HydrophobicContact CG-CD2 4.14Å; W150-L246 HydrophobicContact CG-CG 4.42Å; W150-L246 HydrophobicContact CH2-CB 4.42Å; W150-L246 HydrophobicContact CH2-CD1 4.02Å; W150-L246 HydrophobicContact CZ2-CB 4Å; W150-L246 HydrophobicContact CZ2-CD1 4.46Å; W150-L246 HydrophobicContact CZ3-CB 4.48Å; W150-L246 HydrophobicContact CZ3-CD1 3.57Å; W150-Y250 AromaticContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CE2 4.09Å; W150-Y250 HydrophobicContact CE3-CG 4.15Å; W150-Y250 AromaticContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CE2 4.1Å
151F58.1Low62Low80 Ų80108.1 Ų108.135%0.35155%0.55SS.*PPolyproline II helixtrans-69.4121.8172.866.3-98.5000107.7G149 I153 F244G149-F151 PolarHBondContact O-N 2.83Å; F151-I153 HydrophobicContact CD2-CB 4.25Å; F151-I153 HydrophobicContact CD2-CD1 3.53Å; F151-I153 HydrophobicContact CD2-CG1 3.44Å; F151-I153 VanDerWaalsContact CD2-CG1 3.44Å; F151-I153 HydrophobicContact CE2-CD1 3.42Å; F151-I153 VanDerWaalsContact CE2-CD1 3.42Å; F151-I153 HydrophobicContact CE2-CG1 3.89Å; F151-I153 HydrophobicContact CG-CD1 4.48Å; F151-I153 HydrophobicContact CG-CG1 4.29Å; F151-I153 HydrophobicContact CZ-CD1 4.33Å; F151-F244 HydrophobicContact CE2-CB 3.61Å; F151-F244 HydrophobicContact CE2-CD2 4.39Å; F151-F244 HydrophobicContact CE2-CG 4.03Å; F151-F244 HydrophobicContact CZ-CB 4.03Å; F151-F244 HydrophobicContact CZ-CG 4.32Å
152D57.4Low64.3Low146 Ų146107.3 Ų107.378%0.78152%0.522SS*.  trans-88.3106.3149.4-157.5-0.6000105W150 E154W150-D152 PolarHBondContact O-N 3.1Å; D152-E154 PolarHBondContact O-N 3.32Å
153I65.3Low67Low60 Ų6098.9 Ų98.931%0.30848%0.482SS..  trans-79104167.8-67.5154.7000104.6F151 E155 R157 N158F151-I153 HydrophobicContact CD2-CB 4.25Å; F151-I153 HydrophobicContact CD2-CD1 3.53Å; F151-I153 HydrophobicContact CD2-CG1 3.44Å; F151-I153 VanDerWaalsContact CD2-CG1 3.44Å; F151-I153 HydrophobicContact CE2-CD1 3.42Å; F151-I153 VanDerWaalsContact CE2-CD1 3.42Å; F151-I153 HydrophobicContact CE2-CG1 3.89Å; F151-I153 HydrophobicContact CG-CD1 4.48Å; F151-I153 HydrophobicContact CG-CG1 4.29Å; F151-I153 HydrophobicContact CZ-CD1 4.33Å; I153-E155 PolarHBondContact O-N 2.84Å; I153-R157 HydrophobicContact CG2-CB 4.16Å; I153-N158 WeakPolarHBondContact CB-OD1 3.38Å; I153-N158 HydrophobicContact CG2-CB 4.36Å; I153-N158 VanDerWaalsContact CG2-CG 3.47Å; I153-N158 WeakPolarHBondContact CG2-OD1 3.24Å; I153-N158 PolarHBondContact O-ND2 3.13Å
154E65.8Low69.2Low99 Ų9990.7 Ų90.746%0.46345%0.45SS..  trans-35.9129.3165.9-68167.4-156.500110.5D152 D156 R157 N158D152-E154 PolarHBondContact O-N 3.32Å; E154-D156 PolarHBondContact O-N 2.79Å; E154-D156 VanDerWaalsContact O-N 3.1Å; E154-R157 HydrophobicContact CB-CG 4.37Å; E154-R157 PolarHBondContact O-N 2.87Å; E154-R157 IonicContact OE1-CZ 2.96Å; E154-R157 IonicContact OE1-NE 2.65Å; E154-R157 IonicContact OE1-NH2 3.68Å; E154-R157 PolarHBondContact OE1-NH2 3.04Å; E154-R157 IonicContact OE2-CZ 2.71Å; E154-R157 IonicContact OE2-NE 3.36Å; E154-R157 PolarHBondContact OE2-NE 3Å; E154-R157 IonicContact OE2-NH2 3.93Å; E154-R157 PolarHBondContact OE2-NH2 2.66Å; E154-N158 PolarHBondContact O-N 2.76Å
155E69.3Low71.4Confident149 Ų14980.7 Ų80.770%0.69642%0.422SS*.G310 helixtrans-51.7-39.4-175.5-158.2169.6165.500111.8I153 R157 N158 A241I153-E155 PolarHBondContact O-N 2.84Å; E155-R157 PolarHBondContact O-N 3.46Å; E155-R157 VanDerWaalsContact O-N 3.13Å; E155-N158 PolarHBondContact O-N 2.92Å; E155-N158 VanDerWaalsContact O-N 3.13Å; E155-A241 HydrophobicContact CG-CB 4.14Å
156D71Confident73.4Confident122 Ų12271.7 Ų71.765%0.65238%0.383SS*.G310 helixtrans-64.3-10.7175.8-69.2-53.2000116.6E154 K217E154-D156 PolarHBondContact O-N 2.79Å; E154-D156 VanDerWaalsContact O-N 3.1Å; D156-K217 WeakPolarHBondContact O-CD 3.31Å; D156-K217 PolarHBondContact O-NZ 3.15Å
157R80.9Confident75.5Confident162 Ų16267.4 Ų67.461%0.61135%0.348SS*.G310 helixtrans-114.9-5.6175.6-55.5-167.2-145.6-166.912.9112.9I153 E154 E155 T159I153-R157 HydrophobicContact CG2-CB 4.16Å; E154-R157 HydrophobicContact CB-CG 4.37Å; E154-R157 PolarHBondContact O-N 2.87Å; E154-R157 IonicContact OE1-CZ 2.96Å; E154-R157 IonicContact OE1-NE 2.65Å; E154-R157 IonicContact OE1-NH2 3.68Å; E154-R157 PolarHBondContact OE1-NH2 3.04Å; E154-R157 IonicContact OE2-CZ 2.71Å; E154-R157 IonicContact OE2-NE 3.36Å; E154-R157 PolarHBondContact OE2-NE 3Å; E154-R157 IonicContact OE2-NH2 3.93Å; E154-R157 PolarHBondContact OE2-NH2 2.66Å; E155-R157 PolarHBondContact O-N 3.46Å; E155-R157 VanDerWaalsContact O-N 3.13Å; R157-T159 PolarHBondContact O-N 2.8Å
158N86.3Confident77.5Confident10 Ų1064.6 Ų64.65%0.05334%0.338CS..  trans-64.5132.1175.1-83.4-52.2000110.4I153 E154 E155 V220I153-N158 WeakPolarHBondContact CB-OD1 3.38Å; I153-N158 HydrophobicContact CG2-CB 4.36Å; I153-N158 VanDerWaalsContact CG2-CG 3.47Å; I153-N158 WeakPolarHBondContact CG2-OD1 3.24Å; I153-N158 PolarHBondContact O-ND2 3.13Å; E154-N158 PolarHBondContact O-N 2.76Å; E155-N158 PolarHBondContact O-N 2.92Å; E155-N158 VanDerWaalsContact O-N 3.13Å; N158-V220 WeakPolarHBondContact O-CG2 3.19Å
159T90.5Very high79.2Confident39 Ų3965.7 Ų65.724%0.23934%0.339CS..  trans-111.25.5170.551.10000111.4R157 Y214 K217R157-T159 PolarHBondContact O-N 2.8Å; T159-Y214 WeakPolarHBondContact CB-O 3.3Å; T159-Y214 PolarHBondContact O-N 3.38Å; T159-K217 HydrophobicContact CG2-CB 4.18Å
160N92.3Very high81Confident23 Ų2363.5 Ų63.512%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-106.4140.3-179.1-50.1-64.5000109.5L211 C212 C213 A242 F244N160-L211 HydrophobicContact CB-CD1 4.19Å; N160-C212 CarbonylContact C-O 3.56Å; N160-C212 VanDerWaalsContact CA-O 3.25Å; N160-C212 WeakPolarHBondContact CA-O 3.46Å; N160-C213 WeakPolarHBondContact OD1-CB 3.27Å; N160-C213 PolarHBondContact OD1-SG 3.07Å; N160-A242 HydrophobicContact CB-CB 3.82Å; N160-A242 WeakPolarHBondContact O-CB 3.34Å; N160-A242 PolarHBondContact O-N 3.15Å; N160-F244 HydrophobicContact CB-CE2 3.86Å; N160-F244 HydrophobicContact CB-CZ 3.78Å; N160-F244 WeakPolarHBondContact ND2-CE2 3.25Å
161V93.9Very high82.8Confident0 Ų061.4 Ų61.40%031%0.313CS..EExtended strand (participates in β ladder)trans-121.2133.9179.2173.90000108.5V163 M179 L211 C212 Y214 V220 A223 V239 E240V161-V163 HydrophobicContact CG1-CG2 3.95Å; V161-M179 HydrophobicContact CB-CE 3.99Å; V161-M179 HydrophobicContact CG1-CE 3.69Å; V161-L211 CarbonylContact O-C 3.51Å; V161-L211 WeakPolarHBondContact O-CA 3.44Å; V161-C212 PolarHBondContact N-O 2.68Å; V161-C212 PolarHBondContact O-N 3.45Å; V161-Y214 HydrophobicContact CB-CE2 4.35Å; V161-Y214 HydrophobicContact CG2-CD2 3.89Å; V161-Y214 HydrophobicContact CG2-CE2 3.74Å; V161-V220 HydrophobicContact CG2-CB 3.97Å; V161-V220 HydrophobicContact CG2-CG1 3.69Å; V161-V220 HydrophobicContact CG2-CG2 3.9Å; V161-A223 HydrophobicContact CG2-CB 4.43Å; V161-V239 HydrophobicContact CG1-CG1 3.39Å; V161-E240 CarbonylContact C-O 3.59Å; V161-E240 WeakPolarHBondContact CA-O 3.44Å; V161-E240 WeakPolarHBondContact CG1-O 3.28Å
162Y94.7Very high84.3Confident66 Ų6660.6 Ų60.626%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-94.2133.6169.1-173.3-98.9000108.6Y199 D209 G210 E240Y162-Y199 HydrophobicContact CD2-CE2 4.36Å; Y162-Y199 HydrophobicContact CE2-CD2 4.32Å; Y162-Y199 AromaticContact CE2-CE2 3.96Å; Y162-Y199 HydrophobicContact CE2-CE2 3.96Å; Y162-D209 HydrophobicContact CE2-CB 4.32Å; Y162-D209 WeakPolarHBondContact OH-CB 3.42Å; Y162-D209 PolarHBondContact OH-OD1 2.95Å; Y162-D209 PolarHBondContact OH-OD2 2.69Å; Y162-G210 WeakPolarHBondContact CA-O 3.2Å; Y162-E240 PolarHBondContact N-O 2.75Å; Y162-E240 PolarHBondContact O-N 2.73Å
163V93.5Very high86Confident0 Ų058.1 Ų58.10%030%0.303CS..EExtended strand (participates in β ladder)trans-126127.7177.7-1750000108.3V161 L166 F175 M179 D209 G210 L237 H238 V239V161-V163 HydrophobicContact CG1-CG2 3.95Å; V163-L166 HydrophobicContact CG1-CD1 4.41Å; V163-L166 HydrophobicContact CG1-CD2 3.77Å; V163-L166 HydrophobicContact CG1-CG 4.03Å; V163-F175 HydrophobicContact CB-CE2 3.89Å; V163-F175 HydrophobicContact CB-CZ 4.07Å; V163-F175 HydrophobicContact CG1-CE2 4.14Å; V163-F175 HydrophobicContact CG2-CE2 3.88Å; V163-F175 HydrophobicContact CG2-CZ 3.85Å; V163-M179 HydrophobicContact CG2-CE 3.68Å; V163-M179 HydrophobicContact CG2-SD 3.88Å; V163-D209 CarbonylContact O-C 3.6Å; V163-D209 WeakPolarHBondContact O-CA 3.04Å; V163-G210 PolarHBondContact N-O 3.34Å; V163-G210 PolarHBondContact O-N 3.19Å; V163-L237 HydrophobicContact CG1-CB 4.48Å; V163-H238 CarbonylContact C-O 3.49Å; V163-H238 WeakPolarHBondContact CA-O 3.49Å; V163-V239 HydrophobicContact CG1-CG2 4.12Å; V163-V239 HydrophobicContact CG2-CG1 4.39Å; V163-V239 HydrophobicContact CG2-CG2 4.25Å
164S94Very high87.2Confident26 Ų2657.6 Ų57.618%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-118.7165.1173.854.90000111.2G208 D209 L237 H238S164-G208 CarbonylContact C-O 3.6Å; S164-D209 WeakPolarHBondContact CA-OD1 3.41Å; S164-D209 WeakPolarHBondContact CB-OD1 3.47Å; S164-L237 WeakPolarHBondContact O-CA 3.25Å; S164-H238 PolarHBondContact N-O 2.92Å; S164-H238 PolarHBondContact O-N 3.2Å
165G90.4Very high88.5Confident31 Ų3152.9 Ų52.932%0.3228%0.277SS..SBendtrans81.212-177.200000114.6G208 Y235 L237G165-G208 PolarHBondContact N-O 2.88Å; G165-Y235 VanDerWaalsContact O-CB 3.28Å; G165-Y235 WeakPolarHBondContact O-CB 3.42Å; G165-L237 VanDerWaalsContact O-CD2 3.27Å; G165-L237 WeakPolarHBondContact O-CD2 3.38Å
166L91.1Very high89.6Confident4 Ų445.8 Ų45.82%0.02124%0.244CC..  trans-64.2144.5177.4-60.9168.3000111.4V163 I170 F175 L198 G208 L237V163-L166 HydrophobicContact CG1-CD1 4.41Å; V163-L166 HydrophobicContact CG1-CD2 3.77Å; V163-L166 HydrophobicContact CG1-CG 4.03Å; L166-I170 HydrophobicContact CB-CG2 4.25Å; L166-I170 HydrophobicContact CD2-CD1 3.89Å; L166-F175 HydrophobicContact CD1-CD2 3.82Å; L166-F175 HydrophobicContact CD1-CE2 3.7Å; L166-F175 HydrophobicContact CD1-CZ 4.38Å; L166-F175 HydrophobicContact CD2-CD2 3.7Å; L166-F175 HydrophobicContact CD2-CE2 3.8Å; L166-F175 HydrophobicContact CG-CD2 4.45Å; L166-F175 HydrophobicContact CG-CE2 4.38Å; L166-L198 HydrophobicContact CD1-CD2 3.8Å; L166-G208 WeakPolarHBondContact CB-O 3.49Å; L166-G208 PolarHBondContact N-O 2.91Å; L166-G208 WeakPolarHBondContact O-CA 3.34Å; L166-L237 HydrophobicContact CD2-CD1 4.13Å; L166-L237 HydrophobicContact CD2-CD2 3.81Å; L166-L237 HydrophobicContact CG-CD2 4.41Å
167P89.8Confident90.6Very high1 Ų146.3 Ų46.31%0.00624%0.243CC..  trans-65.5146.6176.725.3-31.1000111.7D169 I170 V232 Y235P167-D169 PolarHBondContact O-N 3.47Å; P167-D169 VanDerWaalsContact O-N 3.1Å; P167-I170 HydrophobicContact CG-CB 4.18Å; P167-I170 WeakPolarHBondContact O-CB 3Å; P167-I170 WeakPolarHBondContact O-CG2 3.16Å; P167-I170 PolarHBondContact O-N 3.02Å; P167-V232 HydrophobicContact CG-CG1 4.42Å; P167-Y235 HydrophobicContact CB-CD2 3.74Å; P167-Y235 HydrophobicContact CB-CE2 3.94Å; P167-Y235 HydrophobicContact CB-CG 4.34Å
168L87.1Confident91Very high111 Ų11139.4 Ų39.458%0.58122%0.217SC*.THydrogen-bonded Turntrans-67.3-12-170.7-61.1173000114.5L206L168-L206 WeakPolarHBondContact CD2-O 3.19Å; L168-L206 WeakPolarHBondContact O-CD1 3.34Å
169D87.6Confident91.3Very high106 Ų10638.9 Ų38.957%0.56722%0.215SC*.THydrogen-bonded Turntrans-107.27.8-179.767.9-25.1000113.7P167 R233P167-D169 PolarHBondContact O-N 3.47Å; P167-D169 VanDerWaalsContact O-N 3.1Å; D169-R233 VanDerWaalsContact CG-NH1 3.27Å; D169-R233 IonicContact OD1-NH1 2.59Å; D169-R233 PolarHBondContact OD1-NH1 3.21Å; D169-R233 IonicContact OD2-CZ 2.8Å; D169-R233 IonicContact OD2-NH1 3.88Å; D169-R233 PolarHBondContact OD2-NH1 2.82Å
170I88.9Confident91.4Very high8 Ų839.9 Ų39.94%0.04122%0.223CC..  trans-65.2133.8-175.4-159.8171.6000112.9L166 P167 E174 F175 L198 L206L166-I170 HydrophobicContact CB-CG2 4.25Å; L166-I170 HydrophobicContact CD2-CD1 3.89Å; P167-I170 HydrophobicContact CG-CB 4.18Å; P167-I170 WeakPolarHBondContact O-CB 3Å; P167-I170 WeakPolarHBondContact O-CG2 3.16Å; P167-I170 PolarHBondContact O-N 3.02Å; I170-E174 HydrophobicContact CG1-CB 4.26Å; I170-E174 HydrophobicContact CG1-CG 4.21Å; I170-F175 HydrophobicContact CD1-CB 3.82Å; I170-F175 HydrophobicContact CD1-CD2 4.19Å; I170-F175 HydrophobicContact CD1-CG 4.46Å; I170-F175 HydrophobicContact CG1-CB 4.27Å; I170-L198 HydrophobicContact CG2-CD1 4Å; I170-L198 HydrophobicContact CG2-CD2 4.13Å; I170-L206 HydrophobicContact CG2-CD1 3.86Å; I170-L206 VanDerWaalsContact O-CD1 3.25Å; I170-L206 WeakPolarHBondContact O-CD1 3.37Å
171S91.3Very high91.3Very high46 Ų4646.5 Ų46.532%0.32225%0.251SS..  trans-83.8154.5171.679.50000111.1D173 E174 F175S171-D173 PolarHBondContact O-N 2.93Å; S171-E174 PolarHBondContact O-N 3.04Å; S171-E174 VanDerWaalsContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CB 3.17Å; S171-E174 PolarHBondContact OG-N 3.39Å; S171-F175 WeakPolarHBondContact O-CB 3.34Å; S171-F175 PolarHBondContact O-N 2.86Å
172P90.4Very high91Very high64 Ų6447 Ų4742%0.41625%0.254SS..Hα-helixtrans-61.3-30.5174.426.5-34.8000112.1A176 V196 L198P172-A176 WeakPolarHBondContact O-CB 3.37Å; P172-A176 PolarHBondContact O-N 3.23Å; P172-V196 HydrophobicContact CB-CG2 3.98Å; P172-L198 HydrophobicContact CB-CD1 4.4Å
173D91.4Very high90.8Very high94 Ų9444.6 Ų44.650%0.50325%0.249SC..Hα-helixtrans-73.7-44179.2-56.7-57000111.9S171 F175 A176 E177S171-D173 PolarHBondContact O-N 2.93Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 2.59Å; D173-A176 CarbonylContact O-C 3.46Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-A176 VanDerWaalsContact O-N 3.11Å; D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.91Å
174E91.7Very high90.7Very high49 Ų4948.7 Ų48.723%0.22927%0.271CS..Hα-helixtrans-62.3-40.2173.9178.8176-162.700111.3I170 S171 A176 E177 L178 R233I170-E174 HydrophobicContact CG1-CB 4.26Å; I170-E174 HydrophobicContact CG1-CG 4.21Å; S171-E174 PolarHBondContact O-N 3.04Å; S171-E174 VanDerWaalsContact OG-CB 3.29Å; S171-E174 WeakPolarHBondContact OG-CB 3.17Å; S171-E174 PolarHBondContact OG-N 3.39Å; E174-A176 VanDerWaalsContact C-N 3.34Å; E174-E177 PolarHBondContact O-N 3.47Å; E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 PolarHBondContact O-N 3.44Å; E174-R233 IonicContact OE1-CZ 2.76Å; E174-R233 IonicContact OE1-NE 3.32Å; E174-R233 PolarHBondContact OE1-NE 3.04Å; E174-R233 IonicContact OE1-NH2 2.69Å; E174-R233 PolarHBondContact OE1-NH2 3.36Å; E174-R233 IonicContact OE2-CZ 2.66Å; E174-R233 IonicContact OE2-NE 3.28Å; E174-R233 IonicContact OE2-NH2 3.15Å; E174-R233 PolarHBondContact OE2-NH2 2.98Å
175F92.4Very high90.6Very high0 Ų047.8 Ų47.80%026%0.264CS..Hα-helixtrans-63.4-40172.8-179.6-114.4000112V163 L166 I170 S171 D173 M179 V196 L198 C212V163-F175 HydrophobicContact CB-CE2 3.89Å; V163-F175 HydrophobicContact CB-CZ 4.07Å; V163-F175 HydrophobicContact CG1-CE2 4.14Å; V163-F175 HydrophobicContact CG2-CE2 3.88Å; V163-F175 HydrophobicContact CG2-CZ 3.85Å; L166-F175 HydrophobicContact CD1-CD2 3.82Å; L166-F175 HydrophobicContact CD1-CE2 3.7Å; L166-F175 HydrophobicContact CD1-CZ 4.38Å; L166-F175 HydrophobicContact CD2-CD2 3.7Å; L166-F175 HydrophobicContact CD2-CE2 3.8Å; L166-F175 HydrophobicContact CG-CD2 4.45Å; L166-F175 HydrophobicContact CG-CE2 4.38Å; I170-F175 HydrophobicContact CD1-CB 3.82Å; I170-F175 HydrophobicContact CD1-CD2 4.19Å; I170-F175 HydrophobicContact CD1-CG 4.46Å; I170-F175 HydrophobicContact CG1-CB 4.27Å; S171-F175 WeakPolarHBondContact O-CB 3.34Å; S171-F175 PolarHBondContact O-N 2.86Å; D173-F175 VanDerWaalsContact C-N 3.31Å; D173-F175 PolarHBondContact O-N 2.59Å; F175-M179 HydrophobicContact CD2-CG 4.24Å; F175-M179 HydrophobicContact CE1-CG 4.29Å; F175-M179 HydrophobicContact CE2-CG 3.84Å; F175-M179 HydrophobicContact CE2-SD 4.24Å; F175-M179 HydrophobicContact CZ-CG 3.88Å; F175-M179 HydrophobicContact CZ-SD 4.42Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 VanDerWaalsContact O-CG 3.25Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.17Å; F175-V196 HydrophobicContact CD1-CB 3.76Å; F175-V196 HydrophobicContact CD1-CG1 3.72Å; F175-V196 HydrophobicContact CD1-CG2 4.37Å; F175-V196 HydrophobicContact CE1-CB 3.97Å; F175-V196 HydrophobicContact CE1-CG1 3.86Å; F175-L198 HydrophobicContact CB-CD2 4.36Å; F175-L198 HydrophobicContact CD1-CD2 4.06Å; F175-L198 HydrophobicContact CG-CD2 4.06Å; F175-C212 HydrophobicContact CE1-CB 3.95Å; F175-C212 HydrophobicContact CZ-CB 4.04Å
176A92.3Very high90.6Very high0 Ų047.3 Ų47.30%025%0.253CS..Hα-helixtrans-66.6-40.917500000112.3P172 D173 E174 M179 S180 Y194 V196P172-A176 WeakPolarHBondContact O-CB 3.37Å; P172-A176 PolarHBondContact O-N 3.23Å; D173-A176 CarbonylContact O-C 3.46Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 3.32Å; D173-A176 VanDerWaalsContact O-N 3.11Å; E174-A176 VanDerWaalsContact C-N 3.34Å; A176-M179 PolarHBondContact O-N 3.23Å; A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 3.26Å; A176-Y194 HydrophobicContact CB-CD1 4.14Å; A176-Y194 HydrophobicContact CB-CD2 3.43Å; A176-Y194 VanDerWaalsContact CB-CD2 3.43Å; A176-Y194 HydrophobicContact CB-CE2 3.98Å; A176-Y194 HydrophobicContact CB-CG 3.5Å; A176-V196 HydrophobicContact CB-CG1 4.29Å
177E91.6Very high90.5Very high133 Ų13352.8 Ų52.862%0.62127%0.274SS*.Hα-helixtrans-61.9-42.9174.9-75.6-179-174.800112.3D173 E174 S180D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.91Å; E174-E177 PolarHBondContact O-N 3.47Å; E177-S180 WeakPolarHBondContact O-CB 3.33Å; E177-S180 PolarHBondContact O-N 3.24Å
178L90.9Very high90.4Very high16 Ų1654.6 Ų54.68%0.08428%0.284CS..Hα-helixtrans-59.3-51.5173.7178.269.4000111.2E174 S180 K181 V232 L237E174-L178 WeakPolarHBondContact O-CB 3.43Å; E174-L178 PolarHBondContact O-N 3.44Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.86Å; L178-K181 HydrophobicContact CD1-CD 4.4Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 WeakPolarHBondContact O-CG 3.39Å; L178-K181 PolarHBondContact O-N 3.03Å; L178-V232 HydrophobicContact CD1-CG2 4.03Å; L178-V232 HydrophobicContact CD2-CG2 4.14Å; L178-L237 HydrophobicContact CD2-CD1 3.41Å; L178-L237 VanDerWaalsContact CD2-CD1 3.41Å
179M91.8Very high90.1Very high0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-68.9-27.9-178.3-66.5-60-81.100112.5V161 V163 F175 A176 K181 C182 V185 C212 Y214 A223 I227V161-M179 HydrophobicContact CB-CE 3.99Å; V161-M179 HydrophobicContact CG1-CE 3.69Å; V163-M179 HydrophobicContact CG2-CE 3.68Å; V163-M179 HydrophobicContact CG2-SD 3.88Å; F175-M179 HydrophobicContact CD2-CG 4.24Å; F175-M179 HydrophobicContact CE1-CG 4.29Å; F175-M179 HydrophobicContact CE2-CG 3.84Å; F175-M179 HydrophobicContact CE2-SD 4.24Å; F175-M179 HydrophobicContact CZ-CG 3.88Å; F175-M179 HydrophobicContact CZ-SD 4.42Å; F175-M179 WeakPolarHBondContact O-CB 3.43Å; F175-M179 VanDerWaalsContact O-CG 3.25Å; F175-M179 WeakPolarHBondContact O-CG 3.36Å; F175-M179 PolarHBondContact O-N 3.17Å; A176-M179 PolarHBondContact O-N 3.23Å; M179-K181 PolarHBondContact O-N 3.41Å; M179-C182 PolarHBondContact O-N 3Å; M179-V185 HydrophobicContact CB-CG2 3.98Å; M179-C212 HydrophobicContact CE-CB 3.57Å; M179-C212 HydrophobicContact CG-CB 4.1Å; M179-Y214 HydrophobicContact CE-CE2 3.87Å; M179-Y214 WeakPolarHBondContact CE-OH 3.43Å; M179-Y214 WeakPolarHBondContact O-CE1 3.28Å; M179-Y214 PolarHBondContact O-OH 3.31Å; M179-A223 HydrophobicContact CE-CB 4.38Å; M179-I227 HydrophobicContact SD-CD1 3.67Å
180S92.9Very high89.9Confident60 Ų6050 Ų5042%0.4226%0.258SS..Hα-helixtrans-58.8-28.5176-1670000112.8A176 E177 L178 C182 G183A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 3.26Å; E177-S180 WeakPolarHBondContact O-CB 3.33Å; E177-S180 PolarHBondContact O-N 3.24Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.86Å; S180-C182 PolarHBondContact O-N 2.73Å; S180-G183 CarbonylContact C-O 3.52Å; S180-G183 WeakPolarHBondContact CA-O 3.47Å; S180-G183 PolarHBondContact O-N 3.37Å
181K89.3Confident89.6Confident162 Ų16253.2 Ų53.270%0.70428%0.279SS*.THydrogen-bonded Turntrans-58.6-30.3178.4-62.1173.4-173.4172.60113.5L178 M179L178-K181 HydrophobicContact CD1-CD 4.4Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 WeakPolarHBondContact O-CG 3.39Å; L178-K181 PolarHBondContact O-N 3.03Å; M179-K181 PolarHBondContact O-N 3.41Å
182C88.9Confident89.2Confident10 Ų1057.5 Ų57.57%0.06829%0.294CS..THydrogen-bonded Turntrans-104.5-0.4-178.6-67.60000114.1M179 S180 L222 A223 L226 I227M179-C182 PolarHBondContact O-N 3Å; S180-C182 PolarHBondContact O-N 2.73Å; C182-L222 HydrophobicContact CB-CB 4.28Å; C182-A223 HydrophobicContact CB-CB 4.16Å; C182-L226 VanDerWaalsContact SG-CB 3.51Å; C182-I227 HydrophobicContact CB-CD1 3.97Å; C182-I227 HydrophobicContact CB-CG1 4.37Å; C182-I227 WeakPolarHBondContact SG-CG1 3.21Å
183G89.9Confident89Confident15 Ų1560.7 Ų60.716%0.15530%0.303CS..SBendtrans156.8176.1174.500000114S180 V185 Y214S180-G183 CarbonylContact C-O 3.52Å; S180-G183 WeakPolarHBondContact CA-O 3.47Å; S180-G183 PolarHBondContact O-N 3.37Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.15Å; G183-Y214 WeakPolarHBondContact O-CE1 3.33Å
184I90.5Very high89Confident87 Ų8759.4 Ų59.445%0.44629%0.291SS..  trans-81.4106-170-58.5178.5000109.4M186 L215 L273I184-M186 PolarHBondContact O-N 3Å; I184-L215 HydrophobicContact CG2-CD2 4.36Å; I184-L215 WeakPolarHBondContact O-CB 3.46Å; I184-L215 PolarHBondContact O-N 3.19Å; I184-L273 HydrophobicContact CD1-CD1 3.77Å; I184-L273 HydrophobicContact CD1-CD2 3.32Å; I184-L273 HydrophobicContact CD1-CG 4.19Å
185V92.5Very high89Confident6 Ų661 Ų614%0.03630%0.298CS..BIsolated β-bridgetrans-61.4131.1172.4-177.30000108.8M179 G183 R187 Y194 V196 Y214M179-V185 HydrophobicContact CB-CG2 3.98Å; G183-V185 PolarHBondContact O-N 3.17Å; G183-V185 VanDerWaalsContact O-N 3.15Å; V185-R187 PolarHBondContact O-N 3.41Å; V185-Y194 HydrophobicContact CB-CD1 4Å; V185-Y194 HydrophobicContact CG1-CD1 3.97Å; V185-Y194 HydrophobicContact CG1-CG 4.43Å; V185-V196 HydrophobicContact CG1-CG1 4.11Å; V185-Y214 HydrophobicContact CG2-CD1 4.32Å; V185-Y214 HydrophobicContact CG2-CE1 3.99Å
186M89.5Confident89Confident21 Ų2162.3 Ų62.310%0.10331%0.306CS..PPolyproline II helixtrans-63.8118.9179.2-176.3178.5-61.800109.2I184 K195 C213 L215I184-M186 PolarHBondContact O-N 3Å; M186-K195 HydrophobicContact CB-CB 4.28Å; M186-K195 HydrophobicContact CB-CD 4.39Å; M186-K195 HydrophobicContact CG-CD 4.13Å; M186-K195 WeakPolarHBondContact O-CB 3.25Å; M186-K195 PolarHBondContact O-N 3.1Å; M186-K195 HydrophobicContact SD-CD 3.61Å; M186-C213 VanDerWaalsContact CB-O 3.29Å; M186-C213 WeakPolarHBondContact CB-O 3.36Å; M186-C213 PolarHBondContact N-O 2.85Å; M186-L215 HydrophobicContact CE-CD1 4.29Å
187R90.4Very high89Confident119 Ų11968.3 Ų68.345%0.44933%0.332SS..BIsolated β-bridgetrans-85.2143.7168-68.2-176179.7179.22.1109.7V185 P189 E192 E193 Y194V185-R187 PolarHBondContact O-N 3.41Å; R187-P189 WeakPolarHBondContact O-CD 3.37Å; R187-E192 WeakPolarHBondContact CD-O 3.35Å; R187-E193 CarbonylContact C-O 3.56Å; R187-E193 WeakPolarHBondContact CA-O 3.34Å; R187-Y194 HydrophobicContact CG-CD1 3.77Å; R187-Y194 HydrophobicContact CG-CE1 3.95Å; R187-Y194 VanDerWaalsContact NE-CE1 3.31Å; R187-Y194 PolarHBondContact NH2-OH 2.92Å
188D86.4Confident89Confident40 Ų4063.5 Ų63.521%0.21431%0.31CS..PPolyproline II helixtrans-68.7126.5173.5-162.8-70.2000109.7I190 E192 E193D188-I190 PolarHBondContact O-N 3.3Å; D188-I190 PolarHBondContact OD1-N 2.84Å; D188-E192 VanDerWaalsContact O-CA 3.3Å; D188-E192 WeakPolarHBondContact O-CA 3.44Å; D188-E192 PolarHBondContact O-N 2.83Å; D188-E193 PolarHBondContact N-O 3.33Å
189P82.4Confident89.1Confident3 Ų366.4 Ų66.42%0.01932%0.321CS..THydrogen-bonded Turntrans-59.5-11177.4-2634.9000116.1R187 Y262 K265 L266R187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-Y262 HydrophobicContact CB-CD2 4.28Å; P189-Y262 HydrophobicContact CB-CE2 4.35Å; P189-Y262 HydrophobicContact CG-CD1 4.46Å; P189-Y262 HydrophobicContact CG-CD2 4.29Å; P189-Y262 HydrophobicContact CG-CE1 4.12Å; P189-Y262 HydrophobicContact CG-CE2 3.98Å; P189-K265 HydrophobicContact CB-CB 3.69Å; P189-K265 HydrophobicContact CB-CD 4.04Å; P189-K265 WeakPolarHBondContact O-CD 3.3Å; P189-K265 WeakPolarHBondContact O-CE 3.42Å; P189-K265 PolarHBondContact O-NZ 2.95Å; P189-L266 HydrophobicContact CG-CB 4.22Å; P189-L266 HydrophobicContact CG-CD1 4.48Å
190I81.9Confident89.1Confident116 Ų11673.1 Ų73.160%0.59535%0.35SS*.THydrogen-bonded Turntrans-105.4-51.1179.2-60176.8000111.8D188 Y262D188-I190 PolarHBondContact O-N 3.3Å; D188-I190 PolarHBondContact OD1-N 2.84Å; I190-Y262 HydrophobicContact CD1-CD2 3.82Å; I190-Y262 HydrophobicContact CG1-CD2 3.99Å
191T83.8Confident89.1Confident76 Ų7673.6 Ų73.647%0.46635%0.348SS..THydrogen-bonded Turntrans-92.5-10.7-175.863.80000114E193T191-E193 VanDerWaalsContact CB-OE2 3.29Å; T191-E193 WeakPolarHBondContact CB-OE2 3.25Å; T191-E193 PolarHBondContact O-N 2.84Å; T191-E193 PolarHBondContact OG1-OE2 2.84Å
192E81.5Confident89.2Confident137 Ų13776 Ų7664%0.6436%0.358SS*.  trans61.9-9.7-175.2-55.4-169.1172.900115.7R187 D188R187-E192 WeakPolarHBondContact CD-O 3.35Å; D188-E192 VanDerWaalsContact O-CA 3.3Å; D188-E192 WeakPolarHBondContact O-CA 3.44Å; D188-E192 PolarHBondContact O-N 2.83Å
193E87.5Confident89Confident131 Ų13182.1 Ų82.161%0.61239%0.39SS*.  trans-57.3147.5170.3-62.7165.4150.200111.9R187 D188 T191R187-E193 CarbonylContact C-O 3.56Å; R187-E193 WeakPolarHBondContact CA-O 3.34Å; D188-E193 PolarHBondContact N-O 3.33Å; T191-E193 VanDerWaalsContact CB-OE2 3.29Å; T191-E193 WeakPolarHBondContact CB-OE2 3.25Å; T191-E193 PolarHBondContact O-N 2.84Å; T191-E193 PolarHBondContact OG1-OE2 2.84Å
194Y91.1Very high88.7Confident66 Ų6683.6 Ų83.626%0.25941%0.405SS..BIsolated β-bridgetrans-67.1135.9172.6-63.2-73.7000110.9A176 V185 R187 V196A176-Y194 HydrophobicContact CB-CD1 4.14Å; A176-Y194 HydrophobicContact CB-CD2 3.43Å; A176-Y194 VanDerWaalsContact CB-CD2 3.43Å; A176-Y194 HydrophobicContact CB-CE2 3.98Å; A176-Y194 HydrophobicContact CB-CG 3.5Å; V185-Y194 HydrophobicContact CB-CD1 4Å; V185-Y194 HydrophobicContact CG1-CD1 3.97Å; V185-Y194 HydrophobicContact CG1-CG 4.43Å; R187-Y194 HydrophobicContact CG-CD1 3.77Å; R187-Y194 HydrophobicContact CG-CE1 3.95Å; R187-Y194 VanDerWaalsContact NE-CE1 3.31Å; R187-Y194 PolarHBondContact NH2-OH 2.92Å; Y194-V196 PolarHBondContact O-N 2.88Å
195K90.4Very high88.5Confident84 Ų8484.8 Ų84.837%0.36541%0.412SS..  trans-8064.2179.1-166.9-175.1167-144.40111M186 C213M186-K195 HydrophobicContact CB-CB 4.28Å; M186-K195 HydrophobicContact CB-CD 4.39Å; M186-K195 HydrophobicContact CG-CD 4.13Å; M186-K195 WeakPolarHBondContact O-CB 3.25Å; M186-K195 PolarHBondContact O-N 3.1Å; M186-K195 HydrophobicContact SD-CD 3.61Å; K195-C213 HydrophobicContact CB-CB 4.28Å; K195-C213 HydrophobicContact CD-CB 3.81Å; K195-C213 HydrophobicContact CG-CB 4.05Å; K195-C213 PolarHBondContact NZ-SG 3.16Å; K195-C213 PolarHBondContact O-N 3Å
196V93.1Very high88.3Confident27 Ų2785.8 Ų85.816%0.16442%0.417CS..EExtended strand (participates in β ladder)trans-110.2150.3172.9-65.20000110P172 F175 A176 V185 Y194 L211 C212P172-V196 HydrophobicContact CB-CG2 3.98Å; F175-V196 HydrophobicContact CD1-CB 3.76Å; F175-V196 HydrophobicContact CD1-CG1 3.72Å; F175-V196 HydrophobicContact CD1-CG2 4.37Å; F175-V196 HydrophobicContact CE1-CB 3.97Å; F175-V196 HydrophobicContact CE1-CG1 3.86Å; A176-V196 HydrophobicContact CB-CG1 4.29Å; V185-V196 HydrophobicContact CG1-CG1 4.11Å; Y194-V196 PolarHBondContact O-N 2.88Å; V196-L211 CarbonylContact C-O 3.58Å; V196-L211 WeakPolarHBondContact CA-O 3.18Å; V196-C212 HydrophobicContact CG1-CB 4.46Å
197K91.9Very high88.4Confident125 Ų12589.4 Ų89.454%0.54343%0.433SS..EExtended strand (participates in β ladder)trans-139.7104.5177.7-178.6179.2179.1177.60109.9G210 L211K197-G210 CarbonylContact O-C 3.59Å; K197-G210 WeakPolarHBondContact O-CA 3.39Å; K197-L211 HydrophobicContact CB-CB 4.37Å; K197-L211 PolarHBondContact N-O 3.3Å; K197-L211 PolarHBondContact O-N 2.94Å
198L92.8Very high88.3Confident32 Ų3284.1 Ų84.117%0.16842%0.415CS..EExtended strand (participates in β ladder)trans-78133.6171-61.9172.2000109.6L166 I170 P172 F175 L206L166-L198 HydrophobicContact CD1-CD2 3.8Å; I170-L198 HydrophobicContact CG2-CD1 4Å; I170-L198 HydrophobicContact CG2-CD2 4.13Å; P172-L198 HydrophobicContact CB-CD1 4.4Å; F175-L198 HydrophobicContact CB-CD2 4.36Å; F175-L198 HydrophobicContact CD1-CD2 4.06Å; F175-L198 HydrophobicContact CG-CD2 4.06Å; L198-L206 HydrophobicContact CD1-CD1 4.45Å
199Y91.9Very high88.6Confident78 Ų7883 Ų8331%0.30641%0.409SS..EExtended strand (participates in β ladder)trans-85.6142.6175.9-67.1-83000110.4Y162 K207 D209 L211Y162-Y199 HydrophobicContact CD2-CE2 4.36Å; Y162-Y199 HydrophobicContact CE2-CD2 4.32Å; Y162-Y199 AromaticContact CE2-CE2 3.96Å; Y162-Y199 HydrophobicContact CE2-CE2 3.96Å; Y199-K207 PolarHBondContact O-N 3.17Å; Y199-D209 HydrophobicContact CD2-CB 4.16Å; Y199-D209 PolarHBondContact N-O 3.32Å; Y199-L211 HydrophobicContact CE2-CB 4.04Å
200K92.7Very high89.1Confident140 Ų14082.9 Ų82.961%0.60941%0.408SS*.EExtended strand (participates in β ladder)trans-118.3143.3177.1-55.6-163.8176-162.50109.5N205 L206K200-N205 CarbonylContact C-O 3.55Å; K200-N205 WeakPolarHBondContact CA-O 3.4Å; K200-N205 WeakPolarHBondContact CB-O 3.38Å; K200-L206 HydrophobicContact CD-CD2 4.17Å; K200-L206 HydrophobicContact CG-CD2 3.91Å
201D92.4Very high89.7Confident71 Ų7178.7 Ų78.738%0.3839%0.387SS..  trans-75.2172.8172.1-79.3-44.9000111.5D203 G204 N205 K207D201-D203 PolarHBondContact O-N 3.07Å; D201-G204 PolarHBondContact O-N 3.33Å; D201-N205 PolarHBondContact N-O 2.84Å; D201-K207 WeakPolarHBondContact OD1-CD 3.41Å; D201-K207 WeakPolarHBondContact OD1-CG 3.08Å; D201-K207 WeakPolarHBondContact OD2-CA 3.44Å
202K90.7Very high90.2Very high213 Ų21375 Ų7593%0.92636%0.364SS*.THydrogen-bonded Turntrans-58.7-29.6-177.3-64176.4-176.6172.80112.5G204K202-G204 VanDerWaalsContact C-N 3.25Å; K202-G204 PolarHBondContact O-N 3.01Å
203D86.1Confident90.7Very high138 Ų13868.7 Ų68.774%0.73834%0.335SS*.THydrogen-bonded Turntrans-83.13.4179.4-47.8-81.4000113.2D201 N205D201-D203 PolarHBondContact O-N 3.07Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.39Å
204G83.1Confident91Very high45 Ų4562.4 Ų62.446%0.46431%0.306SS..SBendtrans84.7-9.4176.100000115.5D201 K202D201-G204 PolarHBondContact O-N 3.33Å; K202-G204 VanDerWaalsContact C-N 3.25Å; K202-G204 PolarHBondContact O-N 3.01Å
205N87.3Confident91Very high112 Ų11260.3 Ų60.360%0.59930%0.299SS*.SBendtrans-67.9154.8173.1-62.4-38.3000111.4K200 D201 D203K200-N205 CarbonylContact C-O 3.55Å; K200-N205 WeakPolarHBondContact CA-O 3.4Å; K200-N205 WeakPolarHBondContact CB-O 3.38Å; D201-N205 PolarHBondContact N-O 2.84Å; D203-N205 VanDerWaalsContact C-N 3.29Å; D203-N205 PolarHBondContact O-N 3.39Å
206L87.7Confident91Very high27 Ų2759.9 Ų59.914%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-66.9135.1171.2-57.7-170.2000109.4L168 I170 L198 K200 G208L168-L206 WeakPolarHBondContact CD2-O 3.19Å; L168-L206 WeakPolarHBondContact O-CD1 3.34Å; I170-L206 HydrophobicContact CG2-CD1 3.86Å; I170-L206 VanDerWaalsContact O-CD1 3.25Å; I170-L206 WeakPolarHBondContact O-CD1 3.37Å; L198-L206 HydrophobicContact CD1-CD1 4.45Å; K200-L206 HydrophobicContact CD-CD2 4.17Å; K200-L206 HydrophobicContact CG-CD2 3.91Å; L206-G208 PolarHBondContact O-N 3.3Å
207K90.8Very high90.9Very high98 Ų9864 Ų6443%0.42631%0.312SS..EExtended strand (participates in β ladder)trans-75-10.1-179.7-173.2171.2-175.5-59.20113.2Y199 D201 D209Y199-K207 PolarHBondContact O-N 3.17Å; D201-K207 WeakPolarHBondContact OD1-CD 3.41Å; D201-K207 WeakPolarHBondContact OD1-CG 3.08Å; D201-K207 WeakPolarHBondContact OD2-CA 3.44Å; K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 IonicContact NZ-OD2 3.37Å; K207-D209 PolarHBondContact NZ-OD2 3.4Å
208G89.6Confident90.9Very high8 Ų864.4 Ų64.48%0.08232%0.316CS..EExtended strand (participates in β ladder)trans76.712.4-166.600000113.8S164 G165 L166 L206S164-G208 CarbonylContact C-O 3.6Å; G165-G208 PolarHBondContact N-O 2.88Å; L166-G208 WeakPolarHBondContact CB-O 3.49Å; L166-G208 PolarHBondContact N-O 2.91Å; L166-G208 WeakPolarHBondContact O-CA 3.34Å; L206-G208 PolarHBondContact O-N 3.3Å
209D92.7Very high90.9Very high16 Ų1663.4 Ų63.49%0.08631%0.312CS..EExtended strand (participates in β ladder)trans-120.1145.9179.9-66.2-34.2000111.4Y162 V163 S164 Y199 K207Y162-D209 HydrophobicContact CE2-CB 4.32Å; Y162-D209 WeakPolarHBondContact OH-CB 3.42Å; Y162-D209 PolarHBondContact OH-OD1 2.95Å; Y162-D209 PolarHBondContact OH-OD2 2.69Å; V163-D209 CarbonylContact O-C 3.6Å; V163-D209 WeakPolarHBondContact O-CA 3.04Å; S164-D209 WeakPolarHBondContact CA-OD1 3.41Å; S164-D209 WeakPolarHBondContact CB-OD1 3.47Å; Y199-D209 HydrophobicContact CD2-CB 4.16Å; Y199-D209 PolarHBondContact N-O 3.32Å; K207-D209 VanDerWaalsContact C-N 3.27Å; K207-D209 IonicContact NZ-OD2 3.37Å; K207-D209 PolarHBondContact NZ-OD2 3.4Å
210G92.8Very high90.9Very high0 Ų060.2 Ų60.20%030%0.301CS..EExtended strand (participates in β ladder)trans-147.7157-179.500000113.9Y162 V163 K197Y162-G210 WeakPolarHBondContact CA-O 3.2Å; V163-G210 PolarHBondContact N-O 3.34Å; V163-G210 PolarHBondContact O-N 3.19Å; K197-G210 CarbonylContact O-C 3.59Å; K197-G210 WeakPolarHBondContact O-CA 3.39Å
211L93.6Very high90.9Very high28 Ų2855.7 Ų55.715%0.14729%0.289CS..EExtended strand (participates in β ladder)trans-116123.2170.7-172.678.5000109.1N160 V161 V196 K197 Y199 A242 F244N160-L211 HydrophobicContact CB-CD1 4.19Å; V161-L211 CarbonylContact O-C 3.51Å; V161-L211 WeakPolarHBondContact O-CA 3.44Å; V196-L211 CarbonylContact C-O 3.58Å; V196-L211 WeakPolarHBondContact CA-O 3.18Å; K197-L211 HydrophobicContact CB-CB 4.37Å; K197-L211 PolarHBondContact N-O 3.3Å; K197-L211 PolarHBondContact O-N 2.94Å; Y199-L211 HydrophobicContact CE2-CB 4.04Å; L211-A242 HydrophobicContact CD1-CB 3.51Å; L211-F244 HydrophobicContact CD1-CE1 4.5Å; L211-F244 HydrophobicContact CD1-CZ 4.09Å; L211-F244 HydrophobicContact CD2-CE1 4.29Å; L211-F244 HydrophobicContact CD2-CZ 4.24Å
212C93.6Very high90.9Very high0 Ų055.9 Ų55.90%029%0.29CS..EExtended strand (participates in β ladder)trans-106.7142.3171.9-171.50000110N160 V161 F175 M179 V196N160-C212 CarbonylContact C-O 3.56Å; N160-C212 VanDerWaalsContact CA-O 3.25Å; N160-C212 WeakPolarHBondContact CA-O 3.46Å; V161-C212 PolarHBondContact N-O 2.68Å; V161-C212 PolarHBondContact O-N 3.45Å; F175-C212 HydrophobicContact CE1-CB 3.95Å; F175-C212 HydrophobicContact CZ-CB 4.04Å; M179-C212 HydrophobicContact CE-CB 3.57Å; M179-C212 HydrophobicContact CG-CB 4.1Å; V196-C212 HydrophobicContact CG1-CB 4.46Å
213C92.7Very high91.1Very high3 Ų345.7 Ų45.72%0.0225%0.246CC..EExtended strand (participates in β ladder)trans-115.8116.2172.1-174.90000110.4N160 M186 K195N160-C213 WeakPolarHBondContact OD1-CB 3.27Å; N160-C213 PolarHBondContact OD1-SG 3.07Å; M186-C213 VanDerWaalsContact CB-O 3.29Å; M186-C213 WeakPolarHBondContact CB-O 3.36Å; M186-C213 PolarHBondContact N-O 2.85Å; K195-C213 HydrophobicContact CB-CB 4.28Å; K195-C213 HydrophobicContact CD-CB 3.81Å; K195-C213 HydrophobicContact CG-CB 4.05Å; K195-C213 PolarHBondContact NZ-SG 3.16Å; K195-C213 PolarHBondContact O-N 3Å
214Y94.2Very high91.4Very high0 Ų041.6 Ų41.60%023%0.225CC..BIsolated β-bridgetrans-84.8156.5173.6-72.3-68000112.1T159 V161 M179 G183 V185 K216 V220 A223T159-Y214 WeakPolarHBondContact CB-O 3.3Å; T159-Y214 PolarHBondContact O-N 3.38Å; V161-Y214 HydrophobicContact CB-CE2 4.35Å; V161-Y214 HydrophobicContact CG2-CD2 3.89Å; V161-Y214 HydrophobicContact CG2-CE2 3.74Å; M179-Y214 HydrophobicContact CE-CE2 3.87Å; M179-Y214 WeakPolarHBondContact CE-OH 3.43Å; M179-Y214 WeakPolarHBondContact O-CE1 3.28Å; M179-Y214 PolarHBondContact O-OH 3.31Å; G183-Y214 WeakPolarHBondContact O-CE1 3.33Å; V185-Y214 HydrophobicContact CG2-CD1 4.32Å; V185-Y214 HydrophobicContact CG2-CE1 3.99Å; Y214-K216 WeakPolarHBondContact CB-O 3.32Å; Y214-V220 HydrophobicContact CD2-CG2 4.15Å; Y214-A223 HydrophobicContact CE2-CB 3.82Å
215L91.3Very high91.8Very high21 Ų2148.6 Ų48.611%0.1124%0.238CC..SBendtrans-78.8-23174-174.350.8000112.6I184 M186 L266 L273I184-L215 HydrophobicContact CG2-CD2 4.36Å; I184-L215 WeakPolarHBondContact O-CB 3.46Å; I184-L215 PolarHBondContact O-N 3.19Å; M186-L215 HydrophobicContact CE-CD1 4.29Å; L215-L266 HydrophobicContact CD1-CD1 4.43Å; L215-L273 HydrophobicContact CD2-CD1 3.46Å; L215-L273 VanDerWaalsContact CD2-CD1 3.46Å; L215-L273 HydrophobicContact CG-CD1 4.2Å
216K90.7Very high92Very high76 Ų7648.7 Ų48.733%0.3324%0.238SC..SBendtrans-123.9148.3176.2-67.3-63-163.4-174.30111Y214Y214-K216 WeakPolarHBondContact CB-O 3.32Å
217K90.4Very high92.1Very high112 Ų11247.7 Ų47.749%0.48723%0.232SC..SBendtrans-70.4-30.3174.566.8162.1-173.9163.40113.2D156 T159 S219 V220D156-K217 WeakPolarHBondContact O-CD 3.31Å; D156-K217 PolarHBondContact O-NZ 3.15Å; T159-K217 HydrophobicContact CG2-CB 4.18Å; K217-S219 PolarHBondContact O-N 2.81Å; K217-V220 VanDerWaalsContact O-CB 3.24Å; K217-V220 WeakPolarHBondContact O-CB 3.15Å; K217-V220 PolarHBondContact O-N 3.2Å
218E91.3Very high92.2Very high134 Ų13445.5 Ų45.563%0.62623%0.226SC*.Hα-helixtrans-60.3-34.2178.2-71.5151.9-150.500111.7V220 A221 L222E218-V220 VanDerWaalsContact C-N 3.27Å; E218-V220 PolarHBondContact O-N 3.43Å; E218-A221 PolarHBondContact O-N 2.81Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.95Å
219S93.2Very high92.2Very high12 Ų1251.9 Ų51.98%0.08425%0.253CS..Hα-helixtrans-63.9-27174.6-53.30000113.8K217 A223K217-S219 PolarHBondContact O-N 2.81Å; S219-A223 VanDerWaalsContact O-CB 3.31Å; S219-A223 WeakPolarHBondContact O-CB 3.24Å; S219-A223 PolarHBondContact O-N 2.77Å
220V92.6Very high92.1Very high11 Ų1152.7 Ų52.77%0.06726%0.26CS..Hα-helixtrans-65.1-52.5171.5177.70000109.5N158 V161 Y214 K217 E218 L222 A223 V224 A241N158-V220 WeakPolarHBondContact O-CG2 3.19Å; V161-V220 HydrophobicContact CG2-CB 3.97Å; V161-V220 HydrophobicContact CG2-CG1 3.69Å; V161-V220 HydrophobicContact CG2-CG2 3.9Å; Y214-V220 HydrophobicContact CD2-CG2 4.15Å; K217-V220 VanDerWaalsContact O-CB 3.24Å; K217-V220 WeakPolarHBondContact O-CB 3.15Å; K217-V220 PolarHBondContact O-N 3.2Å; E218-V220 VanDerWaalsContact C-N 3.27Å; E218-V220 PolarHBondContact O-N 3.43Å; V220-L222 PolarHBondContact O-N 2.97Å; V220-A223 PolarHBondContact O-N 2.72Å; V220-A223 VanDerWaalsContact O-N 3.15Å; V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.37Å; V220-A241 HydrophobicContact CG1-CB 4.2Å
221A92.6Very high92Very high44 Ų4459.4 Ų59.436%0.36429%0.291SS..Hα-helixtrans-65-27.4-179.900000113E218 R225E218-A221 PolarHBondContact O-N 2.81Å; A221-R225 VanDerWaalsContact O-CD 3.3Å; A221-R225 WeakPolarHBondContact O-CD 3.33Å; A221-R225 VanDerWaalsContact O-CG 3.23Å; A221-R225 WeakPolarHBondContact O-CG 3.41Å
222L92.8Very high91.6Very high75 Ų7559.1 Ų59.139%0.39329%0.291SS..Hα-helixtrans-74.5-44.4170.6-68.1175.2000112C182 E218 V220 V224 R225 L226C182-L222 HydrophobicContact CB-CB 4.28Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.95Å; V220-L222 PolarHBondContact O-N 2.97Å; L222-V224 PolarHBondContact O-N 3.42Å; L222-R225 PolarHBondContact O-N 3.36Å; L222-L226 HydrophobicContact CD2-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CD1 3.43Å; L222-L226 PolarHBondContact O-N 2.9Å
223A93.4Very high91.2Very high0 Ų065.4 Ų65.40%032%0.315CS..Hα-helixtrans-58.6-45.8178.900000112.2V161 M179 C182 Y214 S219 V220 R225 L226 I227 V239V161-A223 HydrophobicContact CG2-CB 4.43Å; M179-A223 HydrophobicContact CE-CB 4.38Å; C182-A223 HydrophobicContact CB-CB 4.16Å; Y214-A223 HydrophobicContact CE2-CB 3.82Å; S219-A223 VanDerWaalsContact O-CB 3.31Å; S219-A223 WeakPolarHBondContact O-CB 3.24Å; S219-A223 PolarHBondContact O-N 2.77Å; V220-A223 PolarHBondContact O-N 2.72Å; V220-A223 VanDerWaalsContact O-N 3.15Å; A223-R225 PolarHBondContact O-N 2.72Å; A223-L226 PolarHBondContact O-N 2.83Å; A223-I227 HydrophobicContact CB-CD1 4.23Å; A223-I227 WeakPolarHBondContact O-CB 3.26Å; A223-I227 PolarHBondContact O-N 2.82Å; A223-V239 HydrophobicContact CB-CG1 4.15Å
224V93.1Very high90.8Very high51 Ų5167.9 Ų67.931%0.30934%0.34SS..Hα-helixtrans-62.4-22.6175.8177.50000112.6V220 L222 D228 V239V220-V224 WeakPolarHBondContact O-CG2 3.49Å; V220-V224 PolarHBondContact O-N 3.37Å; L222-V224 PolarHBondContact O-N 3.42Å; V224-D228 WeakPolarHBondContact O-CB 3.29Å; V224-V239 HydrophobicContact CG2-CG1 4.3Å
225R91.9Very high90.6Very high193 Ų19373.2 Ų73.273%0.72836%0.361SS*.Hα-helixtrans-96.6-22.4179.8-70.5173.9-170.9167.13.8114.6A221 L222 A223A221-R225 VanDerWaalsContact O-CD 3.3Å; A221-R225 WeakPolarHBondContact O-CD 3.33Å; A221-R225 VanDerWaalsContact O-CG 3.23Å; A221-R225 WeakPolarHBondContact O-CG 3.41Å; L222-R225 PolarHBondContact O-N 3.36Å; A223-R225 PolarHBondContact O-N 2.72Å
226L91.3Very high90.6Very high113 Ų11379.1 Ų79.159%0.59239%0.386SS*.Hα-helixtrans-118.5-26.4-170.7-83.779.2000114.1C182 L222 A223C182-L226 VanDerWaalsContact SG-CB 3.51Å; L222-L226 HydrophobicContact CD2-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CD1 3.43Å; L222-L226 PolarHBondContact O-N 2.9Å; A223-L226 PolarHBondContact O-N 2.83Å
227I90.5Very high90.8Very high6 Ų675.7 Ų75.73%0.03137%0.371CS..THydrogen-bonded Turntrans-103.5-21.7-179.4-50.7-179.1000110.8M179 C182 A223 S230 L237 V239M179-I227 HydrophobicContact SD-CD1 3.67Å; C182-I227 HydrophobicContact CB-CD1 3.97Å; C182-I227 HydrophobicContact CB-CG1 4.37Å; C182-I227 WeakPolarHBondContact SG-CG1 3.21Å; A223-I227 HydrophobicContact CB-CD1 4.23Å; A223-I227 WeakPolarHBondContact O-CB 3.26Å; A223-I227 PolarHBondContact O-N 2.82Å; I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 2.94Å; I227-S230 PolarHBondContact O-OG 3.11Å; I227-L237 HydrophobicContact CG2-CD1 4.3Å; I227-V239 HydrophobicContact CB-CG2 3.94Å; I227-V239 HydrophobicContact CG2-CG2 3.78Å
228D92.6Very high90.9Very high53 Ų5374 Ų7428%0.28337%0.365SS..THydrogen-bonded Turntrans-60.3139.9173.1-159.341.1000111.4V224 S230 H238 V239V224-D228 WeakPolarHBondContact O-CB 3.29Å; D228-S230 PolarHBondContact O-N 3.05Å; D228-H238 VanDerWaalsContact OD1-CA 3.32Å; D228-H238 WeakPolarHBondContact OD1-CA 3.37Å; D228-H238 IonicContact OD1-CE1 2.94Å; D228-H238 IonicContact OD1-CG 2.75Å; D228-H238 IonicContact OD1-ND1 3.44Å; D228-H238 PolarHBondContact OD1-ND1 3.05Å; D228-V239 HydrophobicContact CB-CB 4.16Å; D228-V239 PolarHBondContact OD1-N 2.81Å
229E90Very high91Very high142 Ų14267.8 Ų67.866%0.66434%0.336SS*.THydrogen-bonded Turntrans55.95.2-167.4-54.1-163151.800117L237E229-L237 VanDerWaalsContact CA-O 3.22Å; E229-L237 WeakPolarHBondContact CA-O 3.45Å; E229-L237 PolarHBondContact N-O 3.47Å
230S90.1Very high91Very high32 Ų3272 Ų7222%0.22435%0.354CS..  trans-67.3141.4-178.569.90000112.6I227 D228 L237I227-S230 WeakPolarHBondContact O-CB 3.29Å; I227-S230 PolarHBondContact O-N 2.94Å; I227-S230 PolarHBondContact O-OG 3.11Å; D228-S230 PolarHBondContact O-N 3.05Å; S230-L237 PolarHBondContact O-N 3.3Å
231E90.4Very high91Very high141 Ų14172.5 Ų72.566%0.65936%0.36SS*.EExtended strand (participates in β ladder)trans-94.7116.8-178.4-168.9176.5165.700111.2G234 Y235E231-G234 WeakPolarHBondContact OE1-CA 3.48Å; E231-Y235 CarbonylContact C-O 3.59Å; E231-Y235 WeakPolarHBondContact CA-O 3.45Å
232V85.7Confident90.8Very high23 Ų2370.6 Ų70.614%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-121116.3176.6177.40000108.8P167 L178 G234 Y235 L237P167-V232 HydrophobicContact CG-CG1 4.42Å; L178-V232 HydrophobicContact CD1-CG2 4.03Å; L178-V232 HydrophobicContact CD2-CG2 4.14Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-G234 VanDerWaalsContact O-N 3.16Å; V232-Y235 PolarHBondContact N-O 3.19Å; V232-Y235 PolarHBondContact O-N 3.05Å; V232-L237 HydrophobicContact CB-CD1 4.16Å; V232-L237 HydrophobicContact CB-CG 4.35Å; V232-L237 HydrophobicContact CG2-CD1 3.61Å; V232-L237 HydrophobicContact CG2-CG 4.15Å
233R84.2Confident90.4Very high132 Ų13276.9 Ų76.950%0.49836%0.363SS..THydrogen-bonded Turntrans53.730.7-178.9-55.2-179.8-179.6-154.4-3.4114.3D169 E174D169-R233 VanDerWaalsContact CG-NH1 3.27Å; D169-R233 IonicContact OD1-NH1 2.59Å; D169-R233 PolarHBondContact OD1-NH1 3.21Å; D169-R233 IonicContact OD2-CZ 2.8Å; D169-R233 IonicContact OD2-NH1 3.88Å; D169-R233 PolarHBondContact OD2-NH1 2.82Å; E174-R233 IonicContact OE1-CZ 2.76Å; E174-R233 IonicContact OE1-NE 3.32Å; E174-R233 PolarHBondContact OE1-NE 3.04Å; E174-R233 IonicContact OE1-NH2 2.69Å; E174-R233 PolarHBondContact OE1-NH2 3.36Å; E174-R233 IonicContact OE2-CZ 2.66Å; E174-R233 IonicContact OE2-NE 3.28Å; E174-R233 IonicContact OE2-NH2 3.15Å; E174-R233 PolarHBondContact OE2-NH2 2.98Å
234G84.9Confident89.8Confident54 Ų5479.9 Ų79.956%0.55738%0.376SS*.THydrogen-bonded Turntrans87.90.9-177.300000115.1E231 V232E231-G234 WeakPolarHBondContact OE1-CA 3.48Å; V232-G234 PolarHBondContact O-N 3.44Å; V232-G234 VanDerWaalsContact O-N 3.16Å
235Y89.1Confident88.9Confident112 Ų11283 Ų8344%0.43939%0.387SS..EExtended strand (participates in β ladder)trans-103.5133.2174.7-63.6-99.4000110G165 P167 E231 V232G165-Y235 VanDerWaalsContact O-CB 3.28Å; G165-Y235 WeakPolarHBondContact O-CB 3.42Å; P167-Y235 HydrophobicContact CB-CD2 3.74Å; P167-Y235 HydrophobicContact CB-CE2 3.94Å; P167-Y235 HydrophobicContact CB-CG 4.34Å; E231-Y235 CarbonylContact C-O 3.59Å; E231-Y235 WeakPolarHBondContact CA-O 3.45Å; V232-Y235 PolarHBondContact N-O 3.19Å; V232-Y235 PolarHBondContact O-N 3.05Å
236K92.4Very high88Confident146 Ų14677.4 Ų77.464%0.63537%0.371SS*.EExtended strand (participates in β ladder)trans-82.5124.2172-69.4-167.1171.5-157.90109.8
237L93.4Very high86.5Confident3 Ų381.8 Ų81.82%0.01639%0.385CS..PPolyproline II helixtrans-85.3147.8176-54.9-169.9000110.8V163 S164 G165 L166 L178 I227 E229 S230 V232V163-L237 HydrophobicContact CG1-CB 4.48Å; S164-L237 WeakPolarHBondContact O-CA 3.25Å; G165-L237 VanDerWaalsContact O-CD2 3.27Å; G165-L237 WeakPolarHBondContact O-CD2 3.38Å; L166-L237 HydrophobicContact CD2-CD1 4.13Å; L166-L237 HydrophobicContact CD2-CD2 3.81Å; L166-L237 HydrophobicContact CG-CD2 4.41Å; L178-L237 HydrophobicContact CD2-CD1 3.41Å; L178-L237 VanDerWaalsContact CD2-CD1 3.41Å; I227-L237 HydrophobicContact CG2-CD1 4.3Å; E229-L237 VanDerWaalsContact CA-O 3.22Å; E229-L237 WeakPolarHBondContact CA-O 3.45Å; E229-L237 PolarHBondContact N-O 3.47Å; S230-L237 PolarHBondContact O-N 3.3Å; V232-L237 HydrophobicContact CB-CD1 4.16Å; V232-L237 HydrophobicContact CB-CG 4.35Å; V232-L237 HydrophobicContact CG2-CD1 3.61Å; V232-L237 HydrophobicContact CG2-CG 4.15Å
238H93.8Very high85.5Confident78 Ų7884.2 Ų84.236%0.36141%0.412SS..EExtended strand (participates in β ladder)trans-126.8131.9173.4-177.281.5000108.9V163 S164 D228 E240V163-H238 CarbonylContact C-O 3.49Å; V163-H238 WeakPolarHBondContact CA-O 3.49Å; S164-H238 PolarHBondContact N-O 2.92Å; S164-H238 PolarHBondContact O-N 3.2Å; D228-H238 VanDerWaalsContact OD1-CA 3.32Å; D228-H238 WeakPolarHBondContact OD1-CA 3.37Å; D228-H238 IonicContact OD1-CE1 2.94Å; D228-H238 IonicContact OD1-CG 2.75Å; D228-H238 IonicContact OD1-ND1 3.44Å; D228-H238 PolarHBondContact OD1-ND1 3.05Å; H238-E240 IonicContact CD2-OE1 3.22Å; H238-E240 IonicContact CE1-OE1 3.7Å; H238-E240 VanDerWaalsContact NE2-CD 3.3Å; H238-E240 VanDerWaalsContact NE2-CG 3.33Å; H238-E240 WeakPolarHBondContact NE2-CG 3.47Å; H238-E240 IonicContact NE2-OE1 2.74Å; H238-E240 PolarHBondContact NE2-OE1 3.2Å
239V93.9Very high84.1Confident2 Ų290.5 Ų90.51%0.01244%0.439CS..EExtended strand (participates in β ladder)trans-131.9112.2-163.4-177.20000111.1V161 V163 A223 V224 I227 D228V161-V239 HydrophobicContact CG1-CG1 3.39Å; V163-V239 HydrophobicContact CG1-CG2 4.12Å; V163-V239 HydrophobicContact CG2-CG1 4.39Å; V163-V239 HydrophobicContact CG2-CG2 4.25Å; A223-V239 HydrophobicContact CB-CG1 4.15Å; V224-V239 HydrophobicContact CG2-CG1 4.3Å; I227-V239 HydrophobicContact CB-CG2 3.94Å; I227-V239 HydrophobicContact CG2-CG2 3.78Å; D228-V239 HydrophobicContact CB-CB 4.16Å; D228-V239 PolarHBondContact OD1-N 2.81Å
240E92.6Very high82.8Confident100 Ų10087.3 Ų87.347%0.46742%0.422SS..EExtended strand (participates in β ladder)trans-122.8152.8-176.2-65.6-176.116200112.4V161 Y162 H238 A242V161-E240 CarbonylContact C-O 3.59Å; V161-E240 WeakPolarHBondContact CA-O 3.44Å; V161-E240 WeakPolarHBondContact CG1-O 3.28Å; Y162-E240 PolarHBondContact N-O 2.75Å; Y162-E240 PolarHBondContact O-N 2.73Å; H238-E240 IonicContact CD2-OE1 3.22Å; H238-E240 IonicContact CE1-OE1 3.7Å; H238-E240 VanDerWaalsContact NE2-CD 3.3Å; H238-E240 VanDerWaalsContact NE2-CG 3.33Å; H238-E240 WeakPolarHBondContact NE2-CG 3.47Å; H238-E240 IonicContact NE2-OE1 2.74Å; H238-E240 PolarHBondContact NE2-OE1 3.2Å; E240-A242 PolarHBondContact O-N 3.21Å
241A91.9Very high81.7Confident22 Ų2289.8 Ų89.818%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-60.3127.8164.600000109.2E155 V220 R243E155-A241 HydrophobicContact CG-CB 4.14Å; V220-A241 HydrophobicContact CG1-CB 4.2Å; A241-R243 PolarHBondContact O-N 3.44Å
242A89.8Confident80.6Confident4 Ų485.2 Ų85.23%0.03342%0.419CS..  trans-69.8109-170.200000112N160 L211 E240 F244N160-A242 HydrophobicContact CB-CB 3.82Å; N160-A242 WeakPolarHBondContact O-CB 3.34Å; N160-A242 PolarHBondContact O-N 3.15Å; L211-A242 HydrophobicContact CD1-CB 3.51Å; E240-A242 PolarHBondContact O-N 3.21Å; A242-F244 HydrophobicContact CB-CE2 3.74Å; A242-F244 HydrophobicContact CB-CZ 3.89Å; A242-F244 WeakPolarHBondContact O-CD2 3.03Å; A242-F244 VanDerWaalsContact O-CE2 3.29Å; A242-F244 WeakPolarHBondContact O-CE2 3.37Å; A242-F244 PolarHBondContact O-N 3.12Å
243R83.8Confident79.7Confident208 Ų20890 Ų9079%0.78545%0.453SS*.  trans-81.8112.1177.2-168.6177.8174.4163-0.2111.3A241 E245A241-R243 PolarHBondContact O-N 3.44Å; R243-E245 HydrophobicContact CG-CG 4.15Å; R243-E245 IonicContact CZ-OE1 3.97Å; R243-E245 VanDerWaalsContact CZ-OE1 3.28Å; R243-E245 IonicContact NE-OE1 2.79Å; R243-E245 PolarHBondContact NE-OE1 2.86Å; R243-E245 IonicContact NH2-OE1 3.83Å; R243-E245 PolarHBondContact NH2-OE1 3.11Å; R243-E245 PolarHBondContact O-N 3.22Å
244F79.5Confident78.9Confident62 Ų6291.3 Ų91.327%0.27246%0.463SS..  trans-94.785-178.5-66.7-81000112.2W150 F151 N160 L211 A242W150-F244 WeakPolarHBondContact CZ2-O 3.38Å; W150-F244 PolarHBondContact NE1-O 3.43Å; F151-F244 HydrophobicContact CE2-CB 3.61Å; F151-F244 HydrophobicContact CE2-CD2 4.39Å; F151-F244 HydrophobicContact CE2-CG 4.03Å; F151-F244 HydrophobicContact CZ-CB 4.03Å; F151-F244 HydrophobicContact CZ-CG 4.32Å; N160-F244 HydrophobicContact CB-CE2 3.86Å; N160-F244 HydrophobicContact CB-CZ 3.78Å; N160-F244 WeakPolarHBondContact ND2-CE2 3.25Å; L211-F244 HydrophobicContact CD1-CE1 4.5Å; L211-F244 HydrophobicContact CD1-CZ 4.09Å; L211-F244 HydrophobicContact CD2-CE1 4.29Å; L211-F244 HydrophobicContact CD2-CZ 4.24Å; A242-F244 HydrophobicContact CB-CE2 3.74Å; A242-F244 HydrophobicContact CB-CZ 3.89Å; A242-F244 WeakPolarHBondContact O-CD2 3.03Å; A242-F244 VanDerWaalsContact O-CE2 3.29Å; A242-F244 WeakPolarHBondContact O-CE2 3.37Å; A242-F244 PolarHBondContact O-N 3.12Å
245E74.6Confident78Confident116 Ų11696.8 Ų96.854%0.54247%0.471SS..  trans-81.1143.9172.8-58.9-173.1157.200112R243 K247R243-E245 HydrophobicContact CG-CG 4.15Å; R243-E245 IonicContact CZ-OE1 3.97Å; R243-E245 VanDerWaalsContact CZ-OE1 3.28Å; R243-E245 IonicContact NE-OE1 2.79Å; R243-E245 PolarHBondContact NE-OE1 2.86Å; R243-E245 IonicContact NH2-OE1 3.83Å; R243-E245 PolarHBondContact NH2-OE1 3.11Å; R243-E245 PolarHBondContact O-N 3.22Å; E245-K247 PolarHBondContact O-N 2.8Å
246L74.4Confident77.1Confident77 Ų77100.5 Ų100.540%0.40349%0.49SS..  trans-70.190.8178.5178.150.6000111.2W150 G248W150-L246 HydrophobicContact CB-CD2 4.08Å; W150-L246 HydrophobicContact CD2-CB 3.58Å; W150-L246 HydrophobicContact CD2-CD1 4.01Å; W150-L246 HydrophobicContact CD2-CD2 4.2Å; W150-L246 HydrophobicContact CD2-CG 4.1Å; W150-L246 HydrophobicContact CE3-CB 4.1Å; W150-L246 HydrophobicContact CE3-CD1 3.57Å; W150-L246 HydrophobicContact CE3-CD2 4.26Å; W150-L246 HydrophobicContact CE3-CG 4.15Å; W150-L246 HydrophobicContact CG-CB 3.8Å; W150-L246 HydrophobicContact CG-CD2 4.14Å; W150-L246 HydrophobicContact CG-CG 4.42Å; W150-L246 HydrophobicContact CH2-CB 4.42Å; W150-L246 HydrophobicContact CH2-CD1 4.02Å; W150-L246 HydrophobicContact CZ2-CB 4Å; W150-L246 HydrophobicContact CZ2-CD1 4.46Å; W150-L246 HydrophobicContact CZ3-CB 4.48Å; W150-L246 HydrophobicContact CZ3-CD1 3.57Å; L246-G248 VanDerWaalsContact CD1-O 3.24Å; L246-G248 WeakPolarHBondContact CD1-O 3.5Å; L246-G248 WeakPolarHBondContact CG-O 3.45Å; L246-G248 PolarHBondContact O-N 2.83Å
247K59.3Low76.4Confident204 Ų204103 Ų10389%0.88750%0.501SS*.  trans-82.484165.1-73.5-173.4175.9175.60110.6E245E245-K247 PolarHBondContact O-N 2.8Å
248G69.8Low75.7Confident57 Ų57107.8 Ų107.859%0.58852%0.521SS*.SBendtrans125.5-154.9170.100000114.1L246L246-G248 VanDerWaalsContact CD1-O 3.24Å; L246-G248 WeakPolarHBondContact CD1-O 3.5Å; L246-G248 WeakPolarHBondContact CG-O 3.45Å; L246-G248 PolarHBondContact O-N 2.83Å
249Q62.8Low75.3Confident185 Ų185107.3 Ų107.386%0.86453%0.527SS*.  trans-99.2135.9175.3-165.9160-9.900109.9D251Q249-D251 PolarHBondContact O-N 3.03Å
250Y62.9Low75Confident75 Ų75114.8 Ų114.829%0.29456%0.559SS.*  trans-79.9101.6-171.6179.4-114.1000113P148 W150 A252P148-Y250 HydrophobicContact CB-CD1 4.47Å; P148-Y250 HydrophobicContact CB-CE1 4.09Å; P148-Y250 WeakPolarHBondContact O-CD1 3.45Å; P148-Y250 WeakPolarHBondContact O-CE1 3.43Å; W150-Y250 AromaticContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CD2 3.55Å; W150-Y250 HydrophobicContact CE3-CE2 4.09Å; W150-Y250 HydrophobicContact CE3-CG 4.15Å; W150-Y250 AromaticContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CD2 3.63Å; W150-Y250 HydrophobicContact CZ3-CE2 4.1Å; Y250-A252 HydrophobicContact CD1-CB 4.39Å; Y250-A252 HydrophobicContact CE1-CB 3.91Å; Y250-A252 PolarHBondContact O-N 3.45Å
251D67.2Low74.6Confident84 Ų84113.9 Ų113.945%0.44956%0.557SS.*  trans-81.889.2172-73.5-39.4000111.9Q249 S253 K254Q249-D251 PolarHBondContact O-N 3.03Å; D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact O-N 3.08Å; D251-K254 HydrophobicContact CB-CD 3.8Å; D251-K254 HydrophobicContact CB-CG 3.97Å; D251-K254 PolarHBondContact O-N 3Å; D251-K254 VanDerWaalsContact OD2-CE 3.25Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 3Å; D251-K254 PolarHBondContact OD2-NZ 3.08Å
252A66.3Low74.3Confident46 Ų46113.9 Ų113.938%0.3855%0.553SS.*G310 helixtrans-52.7-31.3174.500000113.1P148 Y250 K254 K255P148-A252 HydrophobicContact CB-CB 4.29Å; Y250-A252 HydrophobicContact CD1-CB 4.39Å; Y250-A252 HydrophobicContact CE1-CB 3.91Å; Y250-A252 PolarHBondContact O-N 3.45Å; A252-K254 PolarHBondContact O-N 3.18Å; A252-K255 WeakPolarHBondContact O-CB 3.46Å; A252-K255 PolarHBondContact O-N 2.62Å; A252-K255 VanDerWaalsContact O-N 3.16Å
253S66.3Low74.1Confident122 Ų122119.6 Ų119.685%0.85358%0.577SS**G310 helixtrans-61.2-19.5177.8-53.90000114.6D251 K255D251-S253 PolarHBondContact O-N 3.16Å; D251-S253 VanDerWaalsContact O-N 3.08Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 3.28Å
254K68.1Low74.3Confident160 Ų160115.2 Ų115.270%0.69656%0.563SS**G310 helixtrans-77.9-9.9177.5-69.2175.5-179.4154.80113.1D251 A252 K256D251-K254 HydrophobicContact CB-CD 3.8Å; D251-K254 HydrophobicContact CB-CG 3.97Å; D251-K254 PolarHBondContact O-N 3Å; D251-K254 VanDerWaalsContact OD2-CE 3.25Å; D251-K254 WeakPolarHBondContact OD2-CE 3.45Å; D251-K254 IonicContact OD2-NZ 3Å; D251-K254 PolarHBondContact OD2-NZ 3.08Å; A252-K254 PolarHBondContact O-N 3.18Å; K254-K256 PolarHBondContact O-N 3.03Å
255K66.6Low74.5Confident170 Ų170116.7 Ų116.774%0.73957%0.57SS**  trans-77.582.9-179.7-168.9175.3-176.6172.10112.1A252 S253 K257A252-K255 WeakPolarHBondContact O-CB 3.46Å; A252-K255 PolarHBondContact O-N 2.62Å; A252-K255 VanDerWaalsContact O-N 3.16Å; S253-K255 VanDerWaalsContact C-N 3.28Å; S253-K255 PolarHBondContact O-N 3.28Å; K255-K257 PolarHBondContact O-N 3.14Å
256K70.2Confident75.1Confident190 Ų190113.4 Ų113.483%0.82656%0.556SS**  trans-56.2127.4174.9-66.6-174.7179.6-178.80111.5K254 K258K254-K256 PolarHBondContact O-N 3.03Å; K256-K258 PolarHBondContact O-N 2.64Å
257K77.1Confident75.6Confident199 Ų199116.1 Ų116.187%0.86557%0.566SS**  trans-68.4112174.8-174.8177.8-179.2179.80109.4K255 S259K255-K257 PolarHBondContact O-N 3.14Å; K257-S259 PolarHBondContact O-N 2.61Å
258K79.7Confident76.8Confident102 Ų102112 Ų11244%0.44355%0.55SS..  trans-56.6132175.8-66.2-177.1168.1-153.20110.8K256 Y262K256-K258 PolarHBondContact O-N 2.64Å; K258-Y262 HydrophobicContact CB-CD1 4.08Å; K258-Y262 HydrophobicContact CB-CG 4.47Å; K258-Y262 HydrophobicContact CD-CD1 3.8Å; K258-Y262 HydrophobicContact CD-CE1 3.52Å; K258-Y262 HydrophobicContact CG-CD1 4.24Å; K258-Y262 HydrophobicContact CG-CE1 4.32Å; K258-Y262 VanDerWaalsContact NZ-CE1 3.3Å; K258-Y262 PolarHBondContact NZ-OH 2.89Å
259S84.3Confident77.4Confident68 Ų68111.4 Ų111.448%0.47653%0.532SS..  trans-57.5156.7-179.7179.20000112.8K257 D261 Y262 K263K257-S259 PolarHBondContact O-N 2.61Å; S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 PolarHBondContact OG-N 3.16Å; S259-Y262 PolarHBondContact O-N 3.37Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.18Å; S259-K263 VanDerWaalsContact O-N 3.12Å
260K87.4Confident78.5Confident159 Ų159104.7 Ų104.769%0.69150%0.501SS*.Hα-helixtrans-55.7-42.2174.1-169.2176.8-176.9178.90110.6K263 K264K260-K263 WeakPolarHBondContact O-CB 3.34Å; K260-K263 PolarHBondContact O-N 2.75Å; K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.32Å
261D84.5Confident79.5Confident81 Ų81106.5 Ų106.543%0.43351%0.51SS..Hα-helixtrans-78.4-32.4-175.3-51.1-64.5000112.8S259 K263 K264 K265S259-D261 PolarHBondContact O-N 2.94Å; S259-D261 PolarHBondContact OG-N 3.16Å; D261-K263 VanDerWaalsContact C-N 3.29Å; D261-K263 PolarHBondContact O-N 2.85Å; D261-K264 PolarHBondContact O-N 3.02Å; D261-K264 WeakPolarHBondContact OD1-CE 3.33Å; D261-K264 IonicContact OD1-NZ 3.42Å; D261-K264 PolarHBondContact OD1-NZ 2.87Å; D261-K265 PolarHBondContact O-N 2.91Å
262Y85.4Confident80Confident23 Ų23109.1 Ų109.19%0.0952%0.519CS..Hα-helixtrans-56.7-45.7166.6-176.2-73.3000110.7P189 I190 K258 S259 K265 L266P189-Y262 HydrophobicContact CB-CD2 4.28Å; P189-Y262 HydrophobicContact CB-CE2 4.35Å; P189-Y262 HydrophobicContact CG-CD1 4.46Å; P189-Y262 HydrophobicContact CG-CD2 4.29Å; P189-Y262 HydrophobicContact CG-CE1 4.12Å; P189-Y262 HydrophobicContact CG-CE2 3.98Å; I190-Y262 HydrophobicContact CD1-CD2 3.82Å; I190-Y262 HydrophobicContact CG1-CD2 3.99Å; K258-Y262 HydrophobicContact CB-CD1 4.08Å; K258-Y262 HydrophobicContact CB-CG 4.47Å; K258-Y262 HydrophobicContact CD-CD1 3.8Å; K258-Y262 HydrophobicContact CD-CE1 3.52Å; K258-Y262 HydrophobicContact CG-CD1 4.24Å; K258-Y262 HydrophobicContact CG-CE1 4.32Å; K258-Y262 VanDerWaalsContact NZ-CE1 3.3Å; K258-Y262 PolarHBondContact NZ-OH 2.89Å; S259-Y262 PolarHBondContact O-N 3.37Å; Y262-K265 PolarHBondContact O-N 2.87Å; Y262-L266 HydrophobicContact CE1-CD2 4.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.37Å; Y262-L266 PolarHBondContact O-N 3.47Å
263K85.3Confident80.4Confident123 Ų123110.1 Ų110.154%0.53552%0.518SS..Hα-helixtrans-65.1-40.6178-68.5-178.9-178.8-169.60112.3S259 K260 D261 H267S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.18Å; S259-K263 VanDerWaalsContact O-N 3.12Å; K260-K263 WeakPolarHBondContact O-CB 3.34Å; K260-K263 PolarHBondContact O-N 2.75Å; D261-K263 VanDerWaalsContact C-N 3.29Å; D261-K263 PolarHBondContact O-N 2.85Å; K263-H267 WeakPolarHBondContact O-CB 3.29Å; K263-H267 PolarHBondContact O-N 2.82Å
264K87.8Confident81Confident116 Ų116108 Ų10850%0.50450%0.497SS..Hα-helixtrans-58.9-52.4174.2-70174.9-173.1162.10111.2K260 D261 L266 H267 Q268K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.32Å; D261-K264 PolarHBondContact O-N 3.02Å; D261-K264 WeakPolarHBondContact OD1-CE 3.33Å; D261-K264 IonicContact OD1-NZ 3.42Å; D261-K264 PolarHBondContact OD1-NZ 2.87Å; K264-L266 PolarHBondContact O-N 2.9Å; K264-H267 PolarHBondContact O-N 3.44Å; K264-Q268 PolarHBondContact O-N 3Å
265K85.8Confident80.9Confident93 Ų93112.3 Ų112.340%0.40451%0.509SS..Hα-helixtrans-62.3-41.5179.9-74.3-168.6176.2-164.70112.4P189 D261 Y262 H267 Q268 Q269P189-K265 HydrophobicContact CB-CB 3.69Å; P189-K265 HydrophobicContact CB-CD 4.04Å; P189-K265 WeakPolarHBondContact O-CD 3.3Å; P189-K265 WeakPolarHBondContact O-CE 3.42Å; P189-K265 PolarHBondContact O-NZ 2.95Å; D261-K265 PolarHBondContact O-N 2.91Å; Y262-K265 PolarHBondContact O-N 2.87Å; K265-H267 VanDerWaalsContact C-N 3.32Å; K265-H267 PolarHBondContact O-N 3Å; K265-Q268 WeakPolarHBondContact O-CB 3.36Å; K265-Q268 PolarHBondContact O-N 3.21Å; K265-Q269 PolarHBondContact O-N 3.08Å
266L85.6Confident80.9Confident47 Ų47114 Ų11425%0.24651%0.511CS..Hα-helixtrans-61.2-40.8174.8-176.767.7000111.8P189 L215 Y262 K264 Q270P189-L266 HydrophobicContact CG-CB 4.22Å; P189-L266 HydrophobicContact CG-CD1 4.48Å; L215-L266 HydrophobicContact CD1-CD1 4.43Å; Y262-L266 HydrophobicContact CE1-CD2 4.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.37Å; Y262-L266 PolarHBondContact O-N 3.47Å; K264-L266 PolarHBondContact O-N 2.9Å; L266-Q270 PolarHBondContact O-N 2.72Å
267H84.9Confident80.5Confident135 Ų135110.6 Ų110.663%0.62551%0.508SS*.Hα-helixtrans-68.2-34.8175-174.562.8000112.3K263 K264 K265 Q270 K271K263-H267 WeakPolarHBondContact O-CB 3.29Å; K263-H267 PolarHBondContact O-N 2.82Å; K264-H267 PolarHBondContact O-N 3.44Å; K265-H267 VanDerWaalsContact C-N 3.32Å; K265-H267 PolarHBondContact O-N 3Å; H267-Q270 PolarHBondContact O-N 2.86Å; H267-K271 WeakPolarHBondContact O-CB 3.49Å; H267-K271 PolarHBondContact O-N 2.94Å
268Q84.9Confident79.5Confident117 Ų117108.1 Ų108.155%0.54750%0.499SS..Hα-helixtrans-64.4-47.4173.7-173.8178.110.400111.8K264 K265 Q270 K271 Q272K264-Q268 PolarHBondContact O-N 3Å; K265-Q268 WeakPolarHBondContact O-CB 3.36Å; K265-Q268 PolarHBondContact O-N 3.21Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.32Å; Q268-K271 PolarHBondContact O-N 3.19Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.47Å
269Q83.5Confident78.5Confident44 Ų44112 Ų11221%0.20652%0.516CS..Hα-helixtrans-58.1-39.1172.6-72.6-179.42.600111.7K265K265-Q269 PolarHBondContact O-N 3.08Å
270Q85.3Confident76.7Confident45 Ų45118.2 Ų118.221%0.2154%0.538CS..Hα-helixtrans-67.1-42.9175-17755.396.300112.1L266 H267 Q268 Q272 L273L266-Q270 PolarHBondContact O-N 2.72Å; H267-Q270 PolarHBondContact O-N 2.86Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 PolarHBondContact O-N 3.32Å; Q270-Q272 VanDerWaalsContact C-N 3.32Å; Q270-Q272 PolarHBondContact O-N 2.89Å; Q270-L273 PolarHBondContact O-N 2.85Å
271K83.4Confident75Confident113 Ų113113 Ų11349%0.49153%0.53SS..Hα-helixtrans-64.7-34.7178.7-170.9-167.4171.6-133.20112.2H267 Q268 L273 D274 E278H267-K271 WeakPolarHBondContact O-CB 3.49Å; H267-K271 PolarHBondContact O-N 2.94Å; Q268-K271 PolarHBondContact O-N 3.19Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; K271-L273 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact O-N 3.12Å; K271-D274 PolarHBondContact O-N 3.01Å; K271-D274 VanDerWaalsContact O-N 3.15Å; K271-E278 IonicContact NZ-OE1 3.15Å; K271-E278 PolarHBondContact NZ-OE1 3.12Å
272Q78.2Confident73.5Confident138 Ų138118.6 Ų118.665%0.64555%0.553SS**THydrogen-bonded Turntrans-59.9-18.6176.1-77.1169.3-20.700113.8Q268 Q270Q268-Q272 WeakPolarHBondContact O-CG 3.47Å; Q268-Q272 PolarHBondContact O-N 3.47Å; Q270-Q272 VanDerWaalsContact C-N 3.32Å; Q270-Q272 PolarHBondContact O-N 2.89Å
273L75.3Confident72.3Confident68 Ų68122.9 Ų122.936%0.35658%0.577SS.*THydrogen-bonded Turntrans-98.8-7.2179.8-61.4179.5000114.1I184 L215 Q270 K271 W275I184-L273 HydrophobicContact CD1-CD1 3.77Å; I184-L273 HydrophobicContact CD1-CD2 3.32Å; I184-L273 HydrophobicContact CD1-CG 4.19Å; L215-L273 HydrophobicContact CD2-CD1 3.46Å; L215-L273 VanDerWaalsContact CD2-CD1 3.46Å; L215-L273 HydrophobicContact CG-CD1 4.2Å; Q270-L273 PolarHBondContact O-N 2.85Å; K271-L273 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact O-N 3.12Å; L273-W275 PolarHBondContact O-N 3.27Å
274D77.4Confident71.4Confident76 Ų76121.5 Ų121.541%0.40657%0.569SS.*  trans-75.2108.4173-66.5-26.3000107.8K271 R276K271-D274 PolarHBondContact O-N 3.01Å; K271-D274 VanDerWaalsContact O-N 3.15Å; D274-R276 PolarHBondContact O-N 2.93Å
275W66.1Low70.8Confident252 Ų252122.5 Ų122.596%0.95557%0.573SS**  trans-64.323.3173.9-178.8-101.2000113.6L273 P277L273-W275 PolarHBondContact O-N 3.27Å; W275-P277 WeakPolarHBondContact O-CD 3.15Å
276R67Low70.3Confident206 Ų206128.1 Ų128.178%0.77759%0.592SS**SBendtrans-67.5126.8164.4-72-178.8171158.2-1106.4D274 E278D274-R276 PolarHBondContact O-N 2.93Å; R276-E278 PolarHBondContact O-N 3.42Å
277P61.2Low70Confident117 Ų117129 Ų12976%0.7659%0.594SS**  trans-54114.6165.423.6-31.6000106.2W275 K279W275-P277 WeakPolarHBondContact O-CD 3.15Å; P277-K279 PolarHBondContact O-N 3.4Å; P277-K279 VanDerWaalsContact O-N 3.14Å
278E56.3Low69.9Low147 Ų147124.9 Ų124.969%0.68758%0.575SS**  trans-51.8126.4168.5-178.8146.3-11700105.1K271 R276 Q280K271-E278 IonicContact NZ-OE1 3.15Å; K271-E278 PolarHBondContact NZ-OE1 3.12Å; R276-E278 PolarHBondContact O-N 3.42Å; E278-Q280 WeakPolarHBondContact O-CA 3.2Å; E278-Q280 WeakPolarHBondContact O-CB 3.45Å; E278-Q280 PolarHBondContact O-N 3.29Å
279K58.3Low70.1Confident184 Ų184120.6 Ų120.680%0.856%0.555SS**  trans-6391.1-169.7-77.9-168.9173.5-168.60108.4P277 G281P277-K279 PolarHBondContact O-N 3.4Å; P277-K279 VanDerWaalsContact O-N 3.14Å; K279-G281 PolarHBondContact O-N 3.48Å
280Q46.8Very low70.5Confident198 Ų198119.2 Ų119.293%0.92555%0.55SS*.  trans-82.636.6-166.8-152.6179.67.200111.2E278E278-Q280 WeakPolarHBondContact O-CA 3.2Å; E278-Q280 WeakPolarHBondContact O-CB 3.45Å; E278-Q280 PolarHBondContact O-N 3.29Å
281G52.5Low70.8Confident51 Ų51117.1 Ų117.153%0.52654%0.54SS..SBendtrans-79.4137.914900000106.7K279 L283K279-G281 PolarHBondContact O-N 3.48Å; G281-L283 PolarHBondContact O-N 3.36Å
282E52.9Low71.2Confident197 Ų197111.9 Ų111.992%0.92152%0.517SS*.  trans-61.288.7157.7-166.2149.4-131.500106.2R284E282-R284 PolarHBondContact O-N 3.33Å
283L60.8Low71.9Confident114 Ų114105.3 Ų105.360%0.59749%0.486SS*.  trans-74.588-167.3-163.383.2000107G281 K285G281-L283 PolarHBondContact O-N 3.36Å; L283-K285 PolarHBondContact O-N 3.42Å
284R66.2Low72.6Confident93 Ų93104.5 Ų104.535%0.35148%0.479SS..  trans-17.4116.1161.6-72.5-97-152.21085108.1E282 E288 P347 D351E282-R284 PolarHBondContact O-N 3.33Å; R284-E288 WeakPolarHBondContact CA-OE2 3.43Å; R284-E288 HydrophobicContact CB-CB 4.25Å; R284-E288 WeakPolarHBondContact CB-OE2 3.29Å; R284-E288 WeakPolarHBondContact CD-OE2 3.25Å; R284-P347 HydrophobicContact CB-CB 3.78Å; R284-P347 HydrophobicContact CB-CG 3.83Å; R284-P347 HydrophobicContact CG-CB 3.94Å; R284-P347 HydrophobicContact CG-CG 3.77Å; R284-D351 IonicContact CZ-OD2 3.28Å; R284-D351 VanDerWaalsContact NH1-CG 3.31Å; R284-D351 IonicContact NH1-OD1 2.76Å; R284-D351 PolarHBondContact NH1-OD1 2.83Å; R284-D351 VanDerWaalsContact NH1-OD1 3.11Å; R284-D351 IonicContact NH1-OD2 3.88Å; R284-D351 PolarHBondContact NH1-OD2 3.3Å; R284-D351 IonicContact NH2-OD2 3.21Å; R284-D351 PolarHBondContact NH2-OD2 3.23Å
285K75.6Confident73.1Confident138 Ų138103.9 Ų103.960%0.648%0.475SS*.  trans-48.8148.6-164.3-64.3167.6-173.2167.80108.5L283 H287 E288L283-K285 PolarHBondContact O-N 3.42Å; K285-H287 PolarHBondContact O-N 3.08Å; K285-E288 HydrophobicContact CB-CG 4.28Å; K285-E288 WeakPolarHBondContact CB-OE1 3.02Å; K285-E288 WeakPolarHBondContact CD-OE1 3.48Å; K285-E288 WeakPolarHBondContact CG-OE1 3.35Å; K285-E288 PolarHBondContact N-OE1 2.96Å; K285-E288 PolarHBondContact N-OE2 3.31Å; K285-E288 WeakPolarHBondContact O-CB 3.49Å; K285-E288 PolarHBondContact O-N 3.33Å
286R74.7Confident74Confident210 Ų21092.3 Ų92.379%0.79243%0.432SS*.G310 helixtrans-51-26.1-175-67-175.3177.8-164.5-0.3113.7
287H78.4Confident74.8Confident66 Ų6682.7 Ų82.731%0.30640%0.396SS..G310 helixtrans-72.9-34.4178-30126.7000113K285 K289 V290 W372K285-H287 PolarHBondContact O-N 3.08Å; H287-K289 PolarHBondContact O-N 3.37Å; H287-K289 VanDerWaalsContact O-N 3.14Å; H287-V290 WeakPolarHBondContact O-CA 3.41Å; H287-V290 VanDerWaalsContact O-CB 3.32Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.76Å; H287-W372 CarbonylContact C-O 3.57Å; H287-W372 HydrophobicContact CB-CD2 4.2Å; H287-W372 HydrophobicContact CB-CE3 3.55Å; H287-W372 HydrophobicContact CB-CZ3 3.96Å; H287-W372 VanDerWaalsContact CB-O 3.3Å; H287-W372 WeakPolarHBondContact CB-O 3.29Å; H287-W372 AromaticContact CD2-CZ3 3.61Å
288E84.1Confident75.6Confident48 Ų4880.4 Ų80.422%0.22438%0.375CS..G310 helixtrans-68.6-9.2175.2-61.4160.9-138.800112.9R284 K285 V290 L371R284-E288 WeakPolarHBondContact CA-OE2 3.43Å; R284-E288 HydrophobicContact CB-CB 4.25Å; R284-E288 WeakPolarHBondContact CB-OE2 3.29Å; R284-E288 WeakPolarHBondContact CD-OE2 3.25Å; K285-E288 HydrophobicContact CB-CG 4.28Å; K285-E288 WeakPolarHBondContact CB-OE1 3.02Å; K285-E288 WeakPolarHBondContact CD-OE1 3.48Å; K285-E288 WeakPolarHBondContact CG-OE1 3.35Å; K285-E288 PolarHBondContact N-OE1 2.96Å; K285-E288 PolarHBondContact N-OE2 3.31Å; K285-E288 WeakPolarHBondContact O-CB 3.49Å; K285-E288 PolarHBondContact O-N 3.33Å; E288-V290 VanDerWaalsContact C-N 3.28Å; E288-L371 WeakPolarHBondContact O-CD2 3.47Å
289K88.8Confident76.8Confident28 Ų2874.5 Ų74.512%0.12235%0.349CS..G310 helixtrans-86.1-0.1168.1-59.5-168.2168.8-144.70112.7H287 F344 K345 E346 P347H287-K289 PolarHBondContact O-N 3.37Å; H287-K289 VanDerWaalsContact O-N 3.14Å; K289-F344 PolarHBondContact O-N 3.48Å; K289-K345 WeakPolarHBondContact CD-O 3.36Å; K289-K345 PolarHBondContact NZ-O 3.26Å; K289-E346 IonicContact NZ-OE1 2.67Å; K289-E346 IonicContact NZ-OE2 3.38Å; K289-E346 PolarHBondContact NZ-OE2 2.88Å; K289-P347 HydrophobicContact CG-CB 4.09Å
290V90.8Very high77.7Confident15 Ų1567.7 Ų67.79%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-114.7124.1-177.4-174.80000109.2H287 E288 I292 S341 V342 A343 W372H287-V290 WeakPolarHBondContact O-CA 3.41Å; H287-V290 VanDerWaalsContact O-CB 3.32Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.76Å; E288-V290 VanDerWaalsContact C-N 3.28Å; V290-I292 HydrophobicContact CG1-CD1 4.26Å; V290-S341 WeakPolarHBondContact CG1-OG 3.46Å; V290-V342 CarbonylContact C-O 3.56Å; V290-V342 WeakPolarHBondContact CA-O 3.48Å; V290-A343 HydrophobicContact CG2-CB 4.01Å; V290-W372 HydrophobicContact CB-CB 3.89Å; V290-W372 HydrophobicContact CB-CE3 4.08Å; V290-W372 HydrophobicContact CG1-CB 4.07Å; V290-W372 HydrophobicContact CG1-CE3 4.39Å; V290-W372 HydrophobicContact CG2-CE3 4.06Å; V290-W372 WeakPolarHBondContact O-CB 3.36Å; V290-W372 PolarHBondContact O-N 3.16Å
291V92.3Very high79Confident0 Ų061.1 Ų61.10%030%0.296CS..EExtended strand (participates in β ladder)trans-97.1135.5172.4-177.60000108.6I293 S341 V342 F344 A350 C353 I354 A369V291-I293 HydrophobicContact CG1-CG1 4.11Å; V291-S341 WeakPolarHBondContact O-CA 3.48Å; V291-V342 PolarHBondContact N-O 2.76Å; V291-V342 PolarHBondContact O-N 3.18Å; V291-F344 HydrophobicContact CB-CE2 4.29Å; V291-F344 HydrophobicContact CG2-CD2 4.03Å; V291-F344 HydrophobicContact CG2-CE2 3.71Å; V291-A350 HydrophobicContact CG2-CB 3.53Å; V291-C353 HydrophobicContact CG2-CB 4.38Å; V291-I354 HydrophobicContact CB-CG1 4.43Å; V291-I354 HydrophobicContact CG1-CD1 4.24Å; V291-I354 HydrophobicContact CG1-CG1 3.62Å; V291-I354 HydrophobicContact CG2-CD1 4.07Å; V291-I354 HydrophobicContact CG2-CG1 3.96Å; V291-A369 HydrophobicContact CG1-CB 4.24Å
292I92.1Very high80Confident3 Ų359.8 Ų59.82%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-105.3121.5169.7-54.8-58.8000107.6V290 R294 V339 A340 A369 Q370 W372 Y378V290-I292 HydrophobicContact CG1-CD1 4.26Å; I292-R294 HydrophobicContact CG2-CG 4.34Å; I292-V339 HydrophobicContact CG2-CG1 3.56Å; I292-A340 WeakPolarHBondContact CA-O 3.47Å; I292-A369 WeakPolarHBondContact O-CA 3.31Å; I292-Q370 PolarHBondContact N-O 3.26Å; I292-Q370 PolarHBondContact O-N 3.13Å; I292-W372 HydrophobicContact CD1-CB 4.14Å; I292-W372 HydrophobicContact CD1-CG 4.16Å; I292-W372 HydrophobicContact CG1-CB 3.87Å; I292-W372 HydrophobicContact CG1-CG 4.2Å; I292-Y378 HydrophobicContact CB-CE2 4.48Å; I292-Y378 HydrophobicContact CD1-CD2 3.98Å; I292-Y378 HydrophobicContact CD1-CE2 4Å; I292-Y378 HydrophobicContact CG1-CD2 4.32Å; I292-Y378 HydrophobicContact CG1-CE2 3.84Å; I292-Y378 HydrophobicContact CG2-CD2 4.23Å; I292-Y378 HydrophobicContact CG2-CE2 3.92Å
293I91.7Very high80.9Confident0 Ų057.9 Ų57.90%027%0.267CS..EExtended strand (participates in β ladder)trans-106127.2175.1-56167.2000106.9V291 M296 L316 V339 A340 V342 F357 L367 S368 A369V291-I293 HydrophobicContact CG1-CG1 4.11Å; I293-M296 HydrophobicContact CG2-CB 4.43Å; I293-L316 HydrophobicContact CD1-CD2 3.64Å; I293-V339 CarbonylContact O-C 3.57Å; I293-V339 WeakPolarHBondContact O-CA 3.49Å; I293-A340 HydrophobicContact CB-CB 4.41Å; I293-A340 PolarHBondContact N-O 2.9Å; I293-A340 PolarHBondContact O-N 3.36Å; I293-V342 HydrophobicContact CD1-CG2 4.28Å; I293-F357 HydrophobicContact CD1-CD1 3.72Å; I293-F357 HydrophobicContact CD1-CE1 3.88Å; I293-F357 HydrophobicContact CD1-CG 4.42Å; I293-F357 HydrophobicContact CG1-CD1 4.39Å; I293-F357 HydrophobicContact CG2-CD1 4.48Å; I293-L367 HydrophobicContact CG2-CB 4.4Å; I293-L367 HydrophobicContact CG2-CD1 4.42Å; I293-L367 HydrophobicContact CG2-CD2 4.29Å; I293-S368 CarbonylContact C-O 3.5Å; I293-S368 WeakPolarHBondContact CA-O 3.43Å; I293-A369 HydrophobicContact CG1-CB 4.47Å
294R90.6Very high81.6Confident52 Ų5259.9 Ų59.920%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-112.3161175.2-50.9-167-174.3108.711.9110.9I292 M296 V339 S368 Q370 Y378I292-R294 HydrophobicContact CG2-CG 4.34Å; R294-M296 VanDerWaalsContact C-N 3.29Å; R294-M296 PolarHBondContact O-N 3.14Å; R294-V339 HydrophobicContact CG-CG2 4.24Å; R294-S368 PolarHBondContact N-O 3.12Å; R294-S368 PolarHBondContact O-N 3Å; R294-S368 VanDerWaalsContact O-N 3.07Å; R294-Q370 VanDerWaalsContact NH1-CD 3.33Å; R294-Y378 PolarHBondContact NH2-OH 3.48Å; R294-Y378 VanDerWaalsContact NH2-OH 3.13Å
295N88.7Confident82Confident63 Ų6360 Ų6034%0.33728%0.281SS..SBendtrans63.327.9179.1-59.491.8000114.1D337 G338 Q366N295-D337 WeakPolarHBondContact CA-O 3.36Å; N295-D337 PolarHBondContact N-O 3.43Å; N295-G338 PolarHBondContact N-O 2.87Å; N295-Q366 WeakPolarHBondContact CB-O 3.32Å
296M84.6Confident82Confident9 Ų957.8 Ų57.84%0.04428%0.28CS..SBendtrans-80-29.4-177.6-163.1-178.179.600113.6I293 R294 Y312 L316 L331 G338 A340 F362 L367I293-M296 HydrophobicContact CG2-CB 4.43Å; R294-M296 VanDerWaalsContact C-N 3.29Å; R294-M296 PolarHBondContact O-N 3.14Å; M296-Y312 HydrophobicContact CE-CG 4.39Å; M296-L316 HydrophobicContact CE-CD1 3.59Å; M296-L316 HydrophobicContact CE-CG 3.94Å; M296-L316 HydrophobicContact SD-CD1 3.68Å; M296-L316 HydrophobicContact SD-CD2 3.6Å; M296-L316 VanDerWaalsContact SD-CD2 3.6Å; M296-L316 HydrophobicContact SD-CG 3.61Å; M296-L331 HydrophobicContact CE-CD1 3.68Å; M296-G338 PolarHBondContact N-O 2.91Å; M296-A340 HydrophobicContact CE-CB 4.32Å; M296-A340 HydrophobicContact SD-CB 4.49Å; M296-F362 HydrophobicContact CG-CD1 3.93Å; M296-F362 HydrophobicContact CG-CE1 3.94Å; M296-F362 WeakPolarHBondContact O-CD1 3.36Å; M296-L367 VanDerWaalsContact CA-CD2 3.46Å; M296-L367 HydrophobicContact CB-CD2 3.8Å; M296-L367 HydrophobicContact CG-CD2 3.9Å
297F83.1Confident82.2Confident3 Ų353.6 Ų53.61%0.01327%0.273CS..  trans-149.9177.3-17756.8-99.3000111.5F302 Y312 L331 F332 G338 R365F297-F302 HydrophobicContact CB-CE2 3.56Å; F297-F302 HydrophobicContact CB-CZ 3.66Å; F297-F302 HydrophobicContact CD1-CE2 4.32Å; F297-F302 HydrophobicContact CD1-CZ 4Å; F297-F302 AromaticContact CD2-CD2 3.99Å; F297-F302 HydrophobicContact CD2-CD2 3.99Å; F297-F302 AromaticContact CD2-CE2 3.07Å; F297-F302 HydrophobicContact CD2-CE2 3.07Å; F297-F302 AromaticContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CE2-CD2 4.38Å; F297-F302 AromaticContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CZ 4.12Å; F297-F302 AromaticContact CG-CE2 3.4Å; F297-F302 HydrophobicContact CG-CE2 3.4Å; F297-F302 AromaticContact CG-CZ 3.48Å; F297-F302 HydrophobicContact CG-CZ 3.48Å; F297-F302 VanDerWaalsContact CG-CZ 3.48Å; F297-Y312 HydrophobicContact CB-CE2 4.17Å; F297-L331 HydrophobicContact CD1-CD2 4Å; F297-L331 HydrophobicContact CD1-CG 4.37Å; F297-L331 HydrophobicContact CE1-CD1 3.94Å; F297-L331 HydrophobicContact CE1-CD2 3.53Å; F297-L331 HydrophobicContact CE1-CG 3.49Å; F297-L331 VanDerWaalsContact CE1-CG 3.49Å; F297-L331 HydrophobicContact CZ-CD2 3.91Å; F297-L331 HydrophobicContact CZ-CG 3.84Å; F297-F332 WeakPolarHBondContact CE2-O 3.35Å; F297-F332 WeakPolarHBondContact CZ-O 3.24Å; F297-G338 VanDerWaalsContact CD2-CA 3.47Å; F297-G338 VanDerWaalsContact CE1-C 3.5Å; F297-G338 WeakPolarHBondContact O-CA 3.49Å; F297-R365 PolarHBondContact O-NH1 3.17Å
298H79.6Confident82.4Confident70 Ų7052 Ų5232%0.32427%0.268SS..  trans-116.4143.7167.4-161-109.3000110.2S300 D301 F302H298-S300 PolarHBondContact CE1-OG 3.13Å; H298-S300 VanDerWaalsContact CE1-OG 3.28Å; H298-S300 WeakPolarHBondContact ND1-CB 3.36Å; H298-S300 PolarHBondContact ND1-OG 2.86Å; H298-S300 PolarHBondContact O-N 2.82Å; H298-D301 WeakPolarHBondContact CB-OD2 3.14Å; H298-D301 PolarHBondContact N-OD2 2.84Å; H298-D301 WeakPolarHBondContact O-CB 2.99Å; H298-D301 PolarHBondContact O-N 3.4Å; H298-F302 VanDerWaalsContact O-CD2 3.32Å; H298-F302 WeakPolarHBondContact O-CD2 3.12Å; H298-F302 VanDerWaalsContact O-CE2 3.31Å; H298-F302 WeakPolarHBondContact O-CE2 3.3Å
299P80.1Confident82.3Confident23 Ų2352.3 Ų52.315%0.14927%0.271CS..THydrogen-bonded Turntrans-53.7-36.9177.7-29.436.6000114D301 F302 E303 H335P299-D301 PolarHBondContact O-N 3.42Å; P299-F302 PolarHBondContact O-N 2.75Å; P299-E303 PolarHBondContact O-N 2.78Å; P299-H335 WeakPolarHBondContact CG-O 3.38Å
300S78.1Confident82.2Confident41 Ų4155 Ų5529%0.28729%0.286SS..Hα-helixtrans-57.4-31177.1-48.40000113.7H298 F302 E303 E304H298-S300 PolarHBondContact CE1-OG 3.13Å; H298-S300 VanDerWaalsContact CE1-OG 3.28Å; H298-S300 WeakPolarHBondContact ND1-CB 3.36Å; H298-S300 PolarHBondContact ND1-OG 2.86Å; H298-S300 PolarHBondContact O-N 2.82Å; S300-F302 PolarHBondContact O-N 2.74Å; S300-E303 PolarHBondContact O-N 3.18Å; S300-E304 PolarHBondContact O-N 2.73Å; S300-E304 VanDerWaalsContact O-N 3.1Å
301D74.7Confident82.1Confident59 Ų5960.2 Ų60.232%0.31631%0.31SS..Hα-helixtrans-64.7-22.8179.9-47.9-29.4000111.5H298 P299 D305H298-D301 WeakPolarHBondContact CB-OD2 3.14Å; H298-D301 PolarHBondContact N-OD2 2.84Å; H298-D301 WeakPolarHBondContact O-CB 2.99Å; H298-D301 PolarHBondContact O-N 3.4Å; P299-D301 PolarHBondContact O-N 3.42Å; D301-D305 PolarHBondContact O-N 2.8Å
302F72.9Confident81.9Confident23 Ų2362.4 Ų62.410%0.10132%0.318CS..Hα-helixtrans-99.7-20.8178-52.2-89.9000113.2F297 H298 P299 S300 E304 L309 Y312 L331F297-F302 HydrophobicContact CB-CE2 3.56Å; F297-F302 HydrophobicContact CB-CZ 3.66Å; F297-F302 HydrophobicContact CD1-CE2 4.32Å; F297-F302 HydrophobicContact CD1-CZ 4Å; F297-F302 AromaticContact CD2-CD2 3.99Å; F297-F302 HydrophobicContact CD2-CD2 3.99Å; F297-F302 AromaticContact CD2-CE2 3.07Å; F297-F302 HydrophobicContact CD2-CE2 3.07Å; F297-F302 AromaticContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CD2-CZ 3.59Å; F297-F302 HydrophobicContact CE2-CD2 4.38Å; F297-F302 AromaticContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CE2 3.73Å; F297-F302 HydrophobicContact CE2-CZ 4.12Å; F297-F302 AromaticContact CG-CE2 3.4Å; F297-F302 HydrophobicContact CG-CE2 3.4Å; F297-F302 AromaticContact CG-CZ 3.48Å; F297-F302 HydrophobicContact CG-CZ 3.48Å; F297-F302 VanDerWaalsContact CG-CZ 3.48Å; H298-F302 VanDerWaalsContact O-CD2 3.32Å; H298-F302 WeakPolarHBondContact O-CD2 3.12Å; H298-F302 VanDerWaalsContact O-CE2 3.31Å; H298-F302 WeakPolarHBondContact O-CE2 3.3Å; P299-F302 PolarHBondContact O-N 2.75Å; S300-F302 PolarHBondContact O-N 2.74Å; F302-E304 VanDerWaalsContact C-N 3.3Å; F302-L309 HydrophobicContact CD1-CB 3.92Å; F302-L309 HydrophobicContact CD1-CD1 3.65Å; F302-L309 HydrophobicContact CD1-CG 4.38Å; F302-L309 HydrophobicContact CE1-CB 4.14Å; F302-L309 HydrophobicContact CE1-CD1 3.62Å; F302-Y312 AromaticContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CE2 4.25Å; F302-Y312 AromaticContact CZ-CD2 3.56Å; F302-Y312 HydrophobicContact CZ-CD2 3.56Å; F302-Y312 AromaticContact CZ-CE2 3.76Å; F302-Y312 HydrophobicContact CZ-CE2 3.76Å; F302-L331 HydrophobicContact CE1-CD2 3.97Å; F302-L331 HydrophobicContact CZ-CD2 4.06Å
303E72.1Confident81.7Confident158 Ų15868.3 Ų68.374%0.73834%0.341SS*.Hα-helixtrans-69.7-32.9169.2-67.3177.6168.900110.8P299 S300P299-E303 PolarHBondContact O-N 2.78Å; S300-E303 PolarHBondContact O-N 3.18Å
304E75.4Confident81.6Confident156 Ų15672.5 Ų72.573%0.72936%0.363SS*.Hα-helixtrans-76.6-55.4175.2-69-179.3-169.700112.2S300 F302S300-E304 PolarHBondContact O-N 2.73Å; S300-E304 VanDerWaalsContact O-N 3.1Å; F302-E304 VanDerWaalsContact C-N 3.3Å
305D73.9Confident81.5Confident95 Ų9574 Ų7451%0.50838%0.375SS..  trans-135.6109-178.1-90.5-50000113.8D301 L307 V308D301-D305 PolarHBondContact O-N 2.8Å; D305-L307 PolarHBondContact O-N 3.31Å; D305-L307 VanDerWaalsContact O-N 3.15Å; D305-V308 HydrophobicContact CB-CG2 3.86Å; D305-V308 WeakPolarHBondContact O-CB 3.14Å; D305-V308 PolarHBondContact O-N 3Å
306P76.1Confident81.6Confident92 Ų9271.1 Ų71.160%0.59736%0.36SS*.THydrogen-bonded Turntrans-71.1-9.9-179.929.4-35.8000114.1L309P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.45Å
307L78.1Confident81.9Confident121 Ų12177.4 Ų77.463%0.63438%0.383SS*.THydrogen-bonded Turntrans-72.5-32.7175.8-70.6174.1000112.3D305 L309 N310 E311D305-L307 PolarHBondContact O-N 3.31Å; D305-L307 VanDerWaalsContact O-N 3.15Å; L307-L309 PolarHBondContact O-N 3.32Å; L307-L309 VanDerWaalsContact O-N 3.12Å; L307-N310 PolarHBondContact O-N 3.48Å; L307-E311 PolarHBondContact O-N 3.05Å
308V82.5Confident82.3Confident32 Ų3281.1 Ų81.119%0.19441%0.406CS..Hα-helixtrans-58.9-25.4177.5176.30000111.5D305 N310 E311 Y312D305-V308 HydrophobicContact CB-CG2 3.86Å; D305-V308 WeakPolarHBondContact O-CB 3.14Å; D305-V308 PolarHBondContact O-N 3Å; V308-N310 VanDerWaalsContact C-N 3.33Å; V308-N310 PolarHBondContact O-N 3.49Å; V308-E311 PolarHBondContact O-N 2.98Å; V308-Y312 HydrophobicContact CG1-CD2 3.63Å; V308-Y312 HydrophobicContact CG1-CE2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.34Å; V308-Y312 PolarHBondContact O-N 3.11Å
309L83.4Confident82.8Confident56 Ų5679.3 Ų79.329%0.29340%0.397SS..Hα-helixtrans-58.6-39.5171.9-16968.7000113.7F302 P306 L307 R313 L331 D333F302-L309 HydrophobicContact CD1-CB 3.92Å; F302-L309 HydrophobicContact CD1-CD1 3.65Å; F302-L309 HydrophobicContact CD1-CG 4.38Å; F302-L309 HydrophobicContact CE1-CB 4.14Å; F302-L309 HydrophobicContact CE1-CD1 3.62Å; P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.45Å; L307-L309 PolarHBondContact O-N 3.32Å; L307-L309 VanDerWaalsContact O-N 3.12Å; L309-R313 VanDerWaalsContact O-CB 3.3Å; L309-R313 WeakPolarHBondContact O-CB 3.16Å; L309-R313 PolarHBondContact O-N 3.27Å; L309-L331 HydrophobicContact CD1-CB 4.15Å; L309-L331 HydrophobicContact CD1-CD2 3.52Å; L309-L331 HydrophobicContact CD1-CG 4.43Å; L309-D333 HydrophobicContact CD1-CB 4.46Å
310N86.2Confident83.2Confident84 Ų8478.2 Ų78.245%0.44939%0.39SS..Hα-helixtrans-76.8-38.3179.7-69.1-33.6000110.8L307 V308 R313 D314L307-N310 PolarHBondContact O-N 3.48Å; V308-N310 VanDerWaalsContact C-N 3.33Å; V308-N310 PolarHBondContact O-N 3.49Å; N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.07Å; N310-D314 PolarHBondContact O-N 3.48Å
311E87.9Confident83.9Confident125 Ų12582.4 Ų82.458%0.58441%0.405SS*.Hα-helixtrans-58.2-53.8175-60.2-17316700111L307 V308 R313 D314 D315L307-E311 PolarHBondContact O-N 3.05Å; V308-E311 PolarHBondContact O-N 2.98Å; E311-R313 PolarHBondContact O-N 3.12Å; E311-D314 PolarHBondContact O-N 2.75Å; E311-D315 WeakPolarHBondContact O-CB 3.17Å; E311-D315 PolarHBondContact O-N 2.8Å
312Y87.4Confident84.6Confident45 Ų4586.3 Ų86.318%0.17642%0.42CS..Hα-helixtrans-61.8-29.9176.9-71.9-43.7000114M296 F297 F302 V308 L316 F362M296-Y312 HydrophobicContact CE-CG 4.39Å; F297-Y312 HydrophobicContact CB-CE2 4.17Å; F302-Y312 AromaticContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CD2 3.78Å; F302-Y312 HydrophobicContact CE1-CE2 4.25Å; F302-Y312 AromaticContact CZ-CD2 3.56Å; F302-Y312 HydrophobicContact CZ-CD2 3.56Å; F302-Y312 AromaticContact CZ-CE2 3.76Å; F302-Y312 HydrophobicContact CZ-CE2 3.76Å; V308-Y312 HydrophobicContact CG1-CD2 3.63Å; V308-Y312 HydrophobicContact CG1-CE2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.34Å; V308-Y312 PolarHBondContact O-N 3.11Å; Y312-L316 VanDerWaalsContact O-CB 3.29Å; Y312-L316 WeakPolarHBondContact O-CB 3.4Å; Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.15Å; Y312-F362 AromaticContact CD1-CE1 3.86Å; Y312-F362 HydrophobicContact CD1-CE1 3.86Å; Y312-F362 AromaticContact CD1-CZ 3.74Å; Y312-F362 HydrophobicContact CD1-CZ 3.74Å; Y312-F362 AromaticContact CE1-CE1 3.45Å; Y312-F362 HydrophobicContact CE1-CE1 3.45Å; Y312-F362 VanDerWaalsContact CE1-CE1 3.45Å; Y312-F362 AromaticContact CE1-CZ 3.58Å; Y312-F362 HydrophobicContact CE1-CZ 3.58Å
313R89.1Confident85.3Confident128 Ų12888.3 Ų88.348%0.48343%0.428SS..Hα-helixtrans-72.1-42.9177.8-174.4-177.9-171.8-172.11.3111.9L309 N310 E311 R317 V329L309-R313 VanDerWaalsContact O-CB 3.3Å; L309-R313 WeakPolarHBondContact O-CB 3.16Å; L309-R313 PolarHBondContact O-N 3.27Å; N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.07Å; E311-R313 PolarHBondContact O-N 3.12Å; R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 PolarHBondContact O-N 2.87Å; R313-V329 HydrophobicContact CG-CG1 4.3Å
314D89.6Confident86.2Confident87 Ų8781.3 Ų81.347%0.46540%0.399SS..Hα-helixtrans-77.7-32.1179.5-74.6-25.2000111.9N310 E311 R317 T318N310-D314 PolarHBondContact O-N 3.48Å; E311-D314 PolarHBondContact O-N 2.75Å; D314-R317 PolarHBondContact O-N 2.87Å; D314-T318 VanDerWaalsContact O-CB 3.29Å; D314-T318 WeakPolarHBondContact O-CB 3.35Å; D314-T318 PolarHBondContact O-N 2.83Å; D314-T318 PolarHBondContact O-OG1 3.03Å
315D89.3Confident86.9Confident83 Ų8378.9 Ų78.944%0.44439%0.387SS..Hα-helixtrans-60.9-53.9167.3-85.5-10000110.9E311 R317 T318 E319E311-D315 WeakPolarHBondContact O-CB 3.17Å; E311-D315 PolarHBondContact O-N 2.8Å; D315-R317 PolarHBondContact O-N 3.14Å; D315-T318 PolarHBondContact O-N 3.25Å; D315-T318 VanDerWaalsContact O-N 3.13Å; D315-E319 WeakPolarHBondContact O-CB 3.16Å; D315-E319 VanDerWaalsContact O-CG 3.3Å; D315-E319 WeakPolarHBondContact O-CG 3.32Å; D315-E319 PolarHBondContact O-N 3.01Å
316L89.3Confident87.8Confident4 Ų476 Ų762%0.02137%0.373CS..Hα-helixtrans-55.2-41.9176-89.9-178.5000112.1I293 M296 Y312 C320 V329 L331 A340 F357I293-L316 HydrophobicContact CD1-CD2 3.64Å; M296-L316 HydrophobicContact CE-CD1 3.59Å; M296-L316 HydrophobicContact CE-CG 3.94Å; M296-L316 HydrophobicContact SD-CD1 3.68Å; M296-L316 HydrophobicContact SD-CD2 3.6Å; M296-L316 VanDerWaalsContact SD-CD2 3.6Å; M296-L316 HydrophobicContact SD-CG 3.61Å; Y312-L316 VanDerWaalsContact O-CB 3.29Å; Y312-L316 WeakPolarHBondContact O-CB 3.4Å; Y312-L316 WeakPolarHBondContact O-CG 3.41Å; Y312-L316 PolarHBondContact O-N 3.15Å; L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.9Å; L316-C320 PolarHBondContact O-SG 2.86Å; L316-V329 HydrophobicContact CB-CG1 4.24Å; L316-V329 HydrophobicContact CD1-CG1 4.05Å; L316-L331 HydrophobicContact CD1-CD1 3.75Å; L316-A340 HydrophobicContact CD1-CB 3.53Å; L316-F357 HydrophobicContact CD2-CE1 4.1Å
317R91.7Very high88.5Confident141 Ų14177.9 Ų77.953%0.53237%0.372SS..Hα-helixtrans-62-50.9177.1-174.6-179.3-177.8-178.9-0.5111R313 D314 D315 E319 C320 E321 V329R313-R317 WeakPolarHBondContact O-CB 3.29Å; R313-R317 PolarHBondContact O-N 2.87Å; D314-R317 PolarHBondContact O-N 2.87Å; D315-R317 PolarHBondContact O-N 3.14Å; R317-E319 VanDerWaalsContact C-N 3.32Å; R317-E319 PolarHBondContact O-N 2.77Å; R317-C320 PolarHBondContact O-N 2.8Å; R317-E321 VanDerWaalsContact O-CB 3.25Å; R317-E321 WeakPolarHBondContact O-CB 3.46Å; R317-E321 PolarHBondContact O-N 2.94Å; R317-V329 HydrophobicContact CB-CG2 4.47Å
318T91.9Very high89Confident80 Ų8078.3 Ų78.349%0.49137%0.368SS..Hα-helixtrans-64.9-34.7-178.7-56.50000112.2D314 D315D314-T318 VanDerWaalsContact O-CB 3.29Å; D314-T318 WeakPolarHBondContact O-CB 3.35Å; D314-T318 PolarHBondContact O-N 2.83Å; D314-T318 PolarHBondContact O-OG1 3.03Å; D315-T318 PolarHBondContact O-N 3.25Å; D315-T318 VanDerWaalsContact O-N 3.13Å
319E89.6Confident89.4Confident32 Ų3277.4 Ų77.415%0.1536%0.363CS..Hα-helixtrans-76.1-42.3175.6-64.7-141.9123.800112.7D315 R317 E321 K322 F323 F357 R360D315-E319 WeakPolarHBondContact O-CB 3.16Å; D315-E319 VanDerWaalsContact O-CG 3.3Å; D315-E319 WeakPolarHBondContact O-CG 3.32Å; D315-E319 PolarHBondContact O-N 3.01Å; R317-E319 VanDerWaalsContact C-N 3.32Å; R317-E319 PolarHBondContact O-N 2.77Å; E319-E321 VanDerWaalsContact C-N 3.34Å; E319-K322 WeakPolarHBondContact O-CB 3.49Å; E319-K322 PolarHBondContact O-N 3.02Å; E319-K322 IonicContact OE1-NZ 3.99Å; E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 3.49Å; E319-F323 WeakPolarHBondContact O-CE2 3.32Å; E319-F357 HydrophobicContact CB-CZ 3.84Å; E319-R360 VanDerWaalsContact CD-NH1 3.25Å; E319-R360 IonicContact OE1-CZ 2.72Å; E319-R360 IonicContact OE1-NH1 2.61Å; E319-R360 PolarHBondContact OE1-NH1 3.18Å; E319-R360 VanDerWaalsContact OE1-NH1 3.15Å; E319-R360 IonicContact OE1-NH2 2.77Å; E319-R360 PolarHBondContact OE1-NH2 3.49Å; E319-R360 IonicContact OE2-CZ 3.36Å; E319-R360 IonicContact OE2-NH1 2.62Å; E319-R360 PolarHBondContact OE2-NH1 3.04Å; E319-R360 IonicContact OE2-NH2 2.72Å; E319-R360 PolarHBondContact OE2-NH2 3.19Å
320C88.9Confident89.7Confident0 Ų077.4 Ų77.40%036%0.362CS..Hα-helixtrans-70.8-29.7178.4-68.70000112.4L316 R317 K322 F323 G324 V326 V342 F344L316-C320 WeakPolarHBondContact O-CB 3.33Å; L316-C320 PolarHBondContact O-N 2.9Å; L316-C320 PolarHBondContact O-SG 2.86Å; R317-C320 PolarHBondContact O-N 2.8Å; C320-K322 PolarHBondContact O-N 3.23Å; C320-F323 PolarHBondContact O-N 3.21Å; C320-G324 PolarHBondContact O-N 3.47Å; C320-G324 VanDerWaalsContact O-N 3.08Å; C320-V326 HydrophobicContact CB-CG2 3.48Å; C320-V326 VanDerWaalsContact CB-CG2 3.48Å; C320-V342 HydrophobicContact CB-CG1 4.04Å; C320-F344 HydrophobicContact CB-CE1 3.99Å; C320-F344 HydrophobicContact CB-CZ 3.75Å
321E91.6Very high89.8Confident129 Ų12974.8 Ų74.860%0.60335%0.348SS*.Hα-helixtrans-60.9-25.1174.4-173.7159.4-159.900112.9R317 E319 F323 G324R317-E321 VanDerWaalsContact O-CB 3.25Å; R317-E321 WeakPolarHBondContact O-CB 3.46Å; R317-E321 PolarHBondContact O-N 2.94Å; E319-E321 VanDerWaalsContact C-N 3.34Å; E321-F323 PolarHBondContact O-N 3.35Å; E321-G324 WeakPolarHBondContact CA-O 3.11Å
322K90.3Very high89.7Confident142 Ų14270 Ų7062%0.61733%0.326SS*.THydrogen-bonded Turntrans-65-25.2172.2-58.8166.6-170.2166.50112.9E319 C320E319-K322 WeakPolarHBondContact O-CB 3.49Å; E319-K322 PolarHBondContact O-N 3.02Å; E319-K322 IonicContact OE1-NZ 3.99Å; C320-K322 PolarHBondContact O-N 3.23Å
323F87.8Confident89.4Confident65 Ų6570.6 Ų70.629%0.28533%0.332SS..THydrogen-bonded Turntrans-103.9-23.6-177.7-56.6-79.7000112.8E319 C320 E321 Q349 A352 C353 S356 F357E319-F323 VanDerWaalsContact O-CD2 3.24Å; E319-F323 WeakPolarHBondContact O-CD2 3.49Å; E319-F323 WeakPolarHBondContact O-CE2 3.32Å; C320-F323 PolarHBondContact O-N 3.21Å; E321-F323 PolarHBondContact O-N 3.35Å; F323-Q349 WeakPolarHBondContact O-CG 3.3Å; F323-A352 HydrophobicContact CD1-CB 4.35Å; F323-C353 HydrophobicContact CB-CB 4.44Å; F323-S356 WeakPolarHBondContact CE1-OG 3.5Å; F323-S356 VanDerWaalsContact CZ-CB 3.47Å; F323-F357 HydrophobicContact CD2-CE2 4.36Å; F323-F357 HydrophobicContact CE2-CD2 4.46Å; F323-F357 AromaticContact CE2-CE2 3.84Å; F323-F357 HydrophobicContact CE2-CE2 3.84Å
324G89.8Confident88.8Confident11 Ų1169.3 Ų69.311%0.11333%0.327CS..SBendtrans172178.417700000115.7C320 E321 V326 Q349C320-G324 PolarHBondContact O-N 3.47Å; C320-G324 VanDerWaalsContact O-N 3.08Å; E321-G324 WeakPolarHBondContact CA-O 3.11Å; G324-V326 PolarHBondContact O-N 2.92Å; G324-V326 VanDerWaalsContact O-N 3.14Å; G324-Q349 VanDerWaalsContact CA-CD 3.46Å
325E90.9Very high88.3Confident105 Ų10566.4 Ų66.449%0.49131%0.311SS..  trans-75.2104.6-178-170.9-178.5137.400110.5K345E325-K345 HydrophobicContact CB-CB 4Å; E325-K345 HydrophobicContact CB-CD 4.05Å; E325-K345 HydrophobicContact CG-CD 4.07Å; E325-K345 WeakPolarHBondContact O-CB 3.44Å; E325-K345 PolarHBondContact O-N 3.09Å; E325-K345 WeakPolarHBondContact OE1-CD 3.27Å; E325-K345 IonicContact OE1-NZ 3.8Å; E325-K345 PolarHBondContact OE1-NZ 2.82Å; E325-K345 WeakPolarHBondContact OE2-CD 3.36Å; E325-K345 WeakPolarHBondContact OE2-CE 3.45Å; E325-K345 IonicContact OE2-NZ 3.61Å; E325-K345 PolarHBondContact OE2-NZ 2.94Å
326V92Very high87.7Confident34 Ų3466.5 Ų66.521%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-78.1124.8179.3-1760000110.3C320 G324 V329 V342 F344C320-V326 HydrophobicContact CB-CG2 3.48Å; C320-V326 VanDerWaalsContact CB-CG2 3.48Å; G324-V326 PolarHBondContact O-N 2.92Å; G324-V326 VanDerWaalsContact O-N 3.14Å; V326-V329 HydrophobicContact CG1-CG2 3.63Å; V326-V342 HydrophobicContact CG1-CG1 3.8Å; V326-V342 HydrophobicContact CG2-CG1 4.26Å; V326-F344 HydrophobicContact CG2-CD1 4.26Å; V326-F344 HydrophobicContact CG2-CE1 3.88Å
327K90.9Very high87.3Confident132 Ų13270 Ų7057%0.57433%0.334SS*.EExtended strand (participates in β ladder)trans-90.2-38.4177.3-71.9177174.4160.10113.4A343K327-A343 PolarHBondContact N-O 3.15Å
328K89.6Confident86.9Confident130 Ų13063.2 Ų63.257%0.56531%0.309SS*.EExtended strand (participates in β ladder)trans-154131.2-177.2-164.2-178.2-177.5-165.60109.9I330 A343K328-I330 HydrophobicContact CD-CD1 3.93Å; K328-I330 HydrophobicContact CD-CG1 3.96Å; K328-I330 HydrophobicContact CG-CG1 4.07Å; K328-A343 HydrophobicContact CB-CB 4.24Å; K328-A343 PolarHBondContact N-O 2.96Å; K328-A343 PolarHBondContact O-N 3.2Å
329V91.2Very high86.8Confident13 Ų1359.4 Ų59.48%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-110132.6165.3-176.80000107.4R313 L316 R317 V326 S341 V342R313-V329 HydrophobicContact CG-CG1 4.3Å; L316-V329 HydrophobicContact CB-CG1 4.24Å; L316-V329 HydrophobicContact CD1-CG1 4.05Å; R317-V329 HydrophobicContact CB-CG2 4.47Å; V326-V329 HydrophobicContact CG1-CG2 3.63Å; V329-S341 WeakPolarHBondContact CA-O 3.45Å; V329-V342 HydrophobicContact CG1-CG2 4.45Å; V329-V342 HydrophobicContact CG2-CG1 4.48Å
330I88.9Confident86.8Confident55 Ų5557.9 Ų57.928%0.28228%0.278SS..EExtended strand (participates in β ladder)trans-126.5132.8173.8-51.9176.4000107.3K328 F332 S341K328-I330 HydrophobicContact CD-CD1 3.93Å; K328-I330 HydrophobicContact CD-CG1 3.96Å; K328-I330 HydrophobicContact CG-CG1 4.07Å; I330-F332 HydrophobicContact CG2-CD1 4.34Å; I330-F332 HydrophobicContact CG2-CE1 3.81Å; I330-F332 HydrophobicContact CG2-CE2 4.39Å; I330-F332 HydrophobicContact CG2-CZ 3.85Å; I330-S341 PolarHBondContact N-O 3.24Å; I330-S341 PolarHBondContact O-N 2.86Å
331L88.3Confident86.9Confident29 Ų2958.6 Ų58.615%0.15228%0.283CS..EExtended strand (participates in β ladder)trans-107.4141.2169.9-13677.3000109.6M296 F297 F302 L309 L316 A340M296-L331 HydrophobicContact CE-CD1 3.68Å; F297-L331 HydrophobicContact CD1-CD2 4Å; F297-L331 HydrophobicContact CD1-CG 4.37Å; F297-L331 HydrophobicContact CE1-CD1 3.94Å; F297-L331 HydrophobicContact CE1-CD2 3.53Å; F297-L331 HydrophobicContact CE1-CG 3.49Å; F297-L331 VanDerWaalsContact CE1-CG 3.49Å; F297-L331 HydrophobicContact CZ-CD2 3.91Å; F297-L331 HydrophobicContact CZ-CG 3.84Å; F302-L331 HydrophobicContact CE1-CD2 3.97Å; F302-L331 HydrophobicContact CZ-CD2 4.06Å; L309-L331 HydrophobicContact CD1-CB 4.15Å; L309-L331 HydrophobicContact CD1-CD2 3.52Å; L309-L331 HydrophobicContact CD1-CG 4.43Å; L316-L331 HydrophobicContact CD1-CD1 3.75Å; L331-A340 HydrophobicContact CD1-CB 3.58Å
332F85.6Confident87Confident25 Ų2552.5 Ų52.511%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-109.975.4174.4-57.4-70.5000109.2F297 I330 R334 H335 V339 Y378 Q379F297-F332 WeakPolarHBondContact CE2-O 3.35Å; F297-F332 WeakPolarHBondContact CZ-O 3.24Å; I330-F332 HydrophobicContact CG2-CD1 4.34Å; I330-F332 HydrophobicContact CG2-CE1 3.81Å; I330-F332 HydrophobicContact CG2-CE2 4.39Å; I330-F332 HydrophobicContact CG2-CZ 3.85Å; F332-R334 PolarHBondContact O-N 2.96Å; F332-R334 VanDerWaalsContact O-N 3.12Å; F332-H335 HydrophobicContact CB-CB 4.11Å; F332-H335 WeakPolarHBondContact O-CB 3.42Å; F332-H335 PolarHBondContact O-N 3.12Å; F332-V339 WeakPolarHBondContact CB-O 3.39Å; F332-V339 HydrophobicContact CD2-CB 4.21Å; F332-V339 HydrophobicContact CD2-CG1 4.02Å; F332-V339 WeakPolarHBondContact CD2-O 3.3Å; F332-V339 PolarHBondContact N-O 3.41Å; F332-Y378 WeakPolarHBondContact CD1-O 3.16Å; F332-Y378 WeakPolarHBondContact CG-O 3.34Å; F332-Q379 HydrophobicContact CD1-CB 4.19Å; F332-Q379 HydrophobicContact CE1-CB 3.86Å
333D81.1Confident87.1Confident58 Ų5846.9 Ų46.931%0.3124%0.235SC..THydrogen-bonded Turntrans-40-44.3179.963.2-33.3000114.1L309L309-D333 HydrophobicContact CD1-CB 4.46Å
334R75.9Confident87.3Confident100 Ų10043.9 Ų43.938%0.37722%0.222SC..THydrogen-bonded Turntrans-84.2-5.4-175-68.5141.9-176.2-114.6-19.5115.1F332 V380 E382F332-R334 PolarHBondContact O-N 2.96Å; F332-R334 VanDerWaalsContact O-N 3.12Å; R334-V380 HydrophobicContact CB-CB 4.42Å; R334-E382 IonicContact CZ-OE1 2.75Å; R334-E382 VanDerWaalsContact CZ-OE1 3.28Å; R334-E382 VanDerWaalsContact NH1-CB 3.31Å; R334-E382 IonicContact NH1-OE1 3.37Å; R334-E382 PolarHBondContact NH1-OE1 3.3Å; R334-E382 IonicContact NH1-OE2 3.48Å; R334-E382 IonicContact NH2-OE1 3.83Å; R334-E382 PolarHBondContact NH2-OE1 3.36Å
335H79.9Confident87.4Confident27 Ų2746.9 Ų46.913%0.12523%0.232CC..  trans-77.5124.7-178.2-163.3-66000109.9P299 F332 D337 G338 V339 Y378 V380P299-H335 WeakPolarHBondContact CG-O 3.38Å; F332-H335 HydrophobicContact CB-CB 4.11Å; F332-H335 WeakPolarHBondContact O-CB 3.42Å; F332-H335 PolarHBondContact O-N 3.12Å; H335-D337 VanDerWaalsContact C-N 3.27Å; H335-D337 IonicContact CE1-OD2 3.78Å; H335-D337 PolarHBondContact CE1-OD2 3.36Å; H335-D337 PolarHBondContact ND1-N 2.71Å; H335-D337 IonicContact ND1-OD2 3.18Å; H335-D337 PolarHBondContact O-N 2.9Å; H335-G338 WeakPolarHBondContact O-CA 3.44Å; H335-G338 PolarHBondContact O-N 2.67Å; H335-V339 HydrophobicContact CB-CB 4.27Å; H335-V339 HydrophobicContact CB-CG2 4.16Å; H335-V339 WeakPolarHBondContact ND1-CG2 3.4Å; H335-Y378 AromaticContact NE2-CD1 3.94Å; H335-V380 HydrophobicContact CB-CG2 4.31Å
336P77.3Confident87.3Confident85 Ų8545.8 Ų45.855%0.55223%0.226SC*.THydrogen-bonded Turntrans-59-37.1-175.621.9-33.5000113.1G338P336-G338 PolarHBondContact O-N 3.15Å
337D79.6Confident87.2Confident76 Ų7644.9 Ų44.941%0.40622%0.221SC..THydrogen-bonded Turntrans-756174-55.8-37.8000114.9N295 H335 V339N295-D337 WeakPolarHBondContact CA-O 3.36Å; N295-D337 PolarHBondContact N-O 3.43Å; H335-D337 VanDerWaalsContact C-N 3.27Å; H335-D337 IonicContact CE1-OD2 3.78Å; H335-D337 PolarHBondContact CE1-OD2 3.36Å; H335-D337 PolarHBondContact ND1-N 2.71Å; H335-D337 IonicContact ND1-OD2 3.18Å; H335-D337 PolarHBondContact O-N 2.9Å; D337-V339 HydrophobicContact CB-CG2 4.17Å
338G83.9Confident87.2Confident0 Ų045.5 Ų45.50%023%0.226CC..  trans55.968.2176.600000114.2N295 M296 F297 H335 P336N295-G338 PolarHBondContact N-O 2.87Å; M296-G338 PolarHBondContact N-O 2.91Å; F297-G338 VanDerWaalsContact CD2-CA 3.47Å; F297-G338 VanDerWaalsContact CE1-C 3.5Å; F297-G338 WeakPolarHBondContact O-CA 3.49Å; H335-G338 WeakPolarHBondContact O-CA 3.44Å; H335-G338 PolarHBondContact O-N 2.67Å; P336-G338 PolarHBondContact O-N 3.15Å
339V89.3Confident87.3Confident0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-97.1134.4-167.7-175.60000112.2I292 I293 R294 F332 H335 D337 Y378I292-V339 HydrophobicContact CG2-CG1 3.56Å; I293-V339 CarbonylContact O-C 3.57Å; I293-V339 WeakPolarHBondContact O-CA 3.49Å; R294-V339 HydrophobicContact CG-CG2 4.24Å; F332-V339 WeakPolarHBondContact CB-O 3.39Å; F332-V339 HydrophobicContact CD2-CB 4.21Å; F332-V339 HydrophobicContact CD2-CG1 4.02Å; F332-V339 WeakPolarHBondContact CD2-O 3.3Å; F332-V339 PolarHBondContact N-O 3.41Å; H335-V339 HydrophobicContact CB-CB 4.27Å; H335-V339 HydrophobicContact CB-CG2 4.16Å; H335-V339 WeakPolarHBondContact ND1-CG2 3.4Å; D337-V339 HydrophobicContact CB-CG2 4.17Å; V339-Y378 HydrophobicContact CG1-CD1 4.18Å; V339-Y378 HydrophobicContact CG1-CD2 4.48Å; V339-Y378 HydrophobicContact CG1-CG 3.98Å
340A89.8Confident87.3Confident0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-121.9145.6171.800000111.3I292 I293 M296 L316 L331I292-A340 WeakPolarHBondContact CA-O 3.47Å; I293-A340 HydrophobicContact CB-CB 4.41Å; I293-A340 PolarHBondContact N-O 2.9Å; I293-A340 PolarHBondContact O-N 3.36Å; M296-A340 HydrophobicContact CE-CB 4.32Å; M296-A340 HydrophobicContact SD-CB 4.49Å; L316-A340 HydrophobicContact CD1-CB 3.53Å; L331-A340 HydrophobicContact CD1-CB 3.58Å
341S91.6Very high87.4Confident15 Ų1540.3 Ų40.311%0.10520%0.203CC..EExtended strand (participates in β ladder)trans-121122175.8177.20000110.5V290 V291 V329 I330V290-S341 WeakPolarHBondContact CG1-OG 3.46Å; V291-S341 WeakPolarHBondContact O-CA 3.48Å; V329-S341 WeakPolarHBondContact CA-O 3.45Å; I330-S341 PolarHBondContact N-O 3.24Å; I330-S341 PolarHBondContact O-N 2.86Å
342V92.6Very high87.6Confident0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.7116.8-179.4-176.40000109.3V290 V291 I293 C320 V326 V329 F344V290-V342 CarbonylContact C-O 3.56Å; V290-V342 WeakPolarHBondContact CA-O 3.48Å; V291-V342 PolarHBondContact N-O 2.76Å; V291-V342 PolarHBondContact O-N 3.18Å; I293-V342 HydrophobicContact CD1-CG2 4.28Å; C320-V342 HydrophobicContact CB-CG1 4.04Å; V326-V342 HydrophobicContact CG1-CG1 3.8Å; V326-V342 HydrophobicContact CG2-CG1 4.26Å; V329-V342 HydrophobicContact CG1-CG2 4.45Å; V329-V342 HydrophobicContact CG2-CG1 4.48Å; V342-F344 HydrophobicContact CB-CE2 4.15Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.76Å
343A92.6Very high87.9Confident24 Ų2439.5 Ų39.520%0.19821%0.205CC..EExtended strand (participates in β ladder)trans-99.3116.3178.300000111.1V290 K327 K328V290-A343 HydrophobicContact CG2-CB 4.01Å; K327-A343 PolarHBondContact N-O 3.15Å; K328-A343 HydrophobicContact CB-CB 4.24Å; K328-A343 PolarHBondContact N-O 2.96Å; K328-A343 PolarHBondContact O-N 3.2Å
344F92.9Very high88.4Confident3 Ų338 Ų381%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-90.3166.6179.4-71.3-85.6000113.1K289 V291 C320 V326 V342 Q349 A350 C353K289-F344 PolarHBondContact O-N 3.48Å; V291-F344 HydrophobicContact CB-CE2 4.29Å; V291-F344 HydrophobicContact CG2-CD2 4.03Å; V291-F344 HydrophobicContact CG2-CE2 3.71Å; C320-F344 HydrophobicContact CB-CE1 3.99Å; C320-F344 HydrophobicContact CB-CZ 3.75Å; V326-F344 HydrophobicContact CG2-CD1 4.26Å; V326-F344 HydrophobicContact CG2-CE1 3.88Å; V342-F344 HydrophobicContact CB-CE2 4.15Å; V342-F344 HydrophobicContact CG1-CD2 4.17Å; V342-F344 HydrophobicContact CG1-CE1 4.45Å; V342-F344 HydrophobicContact CG1-CE2 3.59Å; V342-F344 HydrophobicContact CG1-CZ 3.76Å; F344-Q349 HydrophobicContact CB-CB 4.19Å; F344-Q349 HydrophobicContact CD1-CB 3.77Å; F344-Q349 HydrophobicContact CE1-CB 4.43Å; F344-Q349 HydrophobicContact CG-CB 4.09Å; F344-A350 HydrophobicContact CD2-CB 3.91Å; F344-C353 HydrophobicContact CE2-CB 3.96Å; F344-C353 HydrophobicContact CZ-CB 3.75Å
345K91.2Very high89.2Confident74 Ų7440.2 Ų40.232%0.32222%0.216SC..SBendtrans-74-47.1172-175164.7178.5173.60112.1K289 E325K289-K345 WeakPolarHBondContact CD-O 3.36Å; K289-K345 PolarHBondContact NZ-O 3.26Å; E325-K345 HydrophobicContact CB-CB 4Å; E325-K345 HydrophobicContact CB-CD 4.05Å; E325-K345 HydrophobicContact CG-CD 4.07Å; E325-K345 WeakPolarHBondContact O-CB 3.44Å; E325-K345 PolarHBondContact O-N 3.09Å; E325-K345 WeakPolarHBondContact OE1-CD 3.27Å; E325-K345 IonicContact OE1-NZ 3.8Å; E325-K345 PolarHBondContact OE1-NZ 2.82Å; E325-K345 WeakPolarHBondContact OE2-CD 3.36Å; E325-K345 WeakPolarHBondContact OE2-CE 3.45Å; E325-K345 IonicContact OE2-NZ 3.61Å; E325-K345 PolarHBondContact OE2-NZ 2.94Å
346E89.7Confident89.7Confident81 Ų8141.5 Ų41.538%0.37923%0.228SC..SBendtrans-118.3149.9179.7-62.6-47.2145.900112.9K289 E348 Q349K289-E346 IonicContact NZ-OE1 2.67Å; K289-E346 IonicContact NZ-OE2 3.38Å; K289-E346 PolarHBondContact NZ-OE2 2.88Å; E346-E348 VanDerWaalsContact C-N 3.35Å; E346-Q349 HydrophobicContact CB-CG 4.22Å; E346-Q349 VanDerWaalsContact N-OE1 3.1Å; E346-Q349 WeakPolarHBondContact O-CB 3.45Å; E346-Q349 PolarHBondContact O-N 3.27Å
347P89.9Confident90.3Very high15 Ų1537.5 Ų37.510%0.09720%0.202CC..Hα-helixtrans-74.8-27.2-17332.4-32.3000111.9R284 K289 Q349 A350 D351R284-P347 HydrophobicContact CB-CB 3.78Å; R284-P347 HydrophobicContact CB-CG 3.83Å; R284-P347 HydrophobicContact CG-CB 3.94Å; R284-P347 HydrophobicContact CG-CG 3.77Å; K289-P347 HydrophobicContact CG-CB 4.09Å; P347-Q349 PolarHBondContact O-N 3.28Å; P347-A350 WeakPolarHBondContact O-CB 3.49Å; P347-A350 PolarHBondContact O-N 3.41Å; P347-A350 VanDerWaalsContact O-N 3.12Å; P347-D351 PolarHBondContact O-N 2.84Å
348E89.6Confident90.9Very high146 Ų14638.3 Ų38.368%0.68221%0.206SC*.Hα-helixtrans-62.6-31.1174.9-60.6174.6175.200112E346 D351 A352E346-E348 VanDerWaalsContact C-N 3.35Å; E348-D351 PolarHBondContact O-N 3.32Å; E348-A352 PolarHBondContact O-N 3.15Å; E348-A352 VanDerWaalsContact O-N 3.07Å
349Q92.1Very high91.1Very high43 Ų4340.1 Ų40.120%0.20123%0.225CC..Hα-helixtrans-69.9-37.3176-58.4170.2-22.800110.9F323 G324 F344 E346 P347 C353F323-Q349 WeakPolarHBondContact O-CG 3.3Å; G324-Q349 VanDerWaalsContact CA-CD 3.46Å; F344-Q349 HydrophobicContact CB-CB 4.19Å; F344-Q349 HydrophobicContact CD1-CB 3.77Å; F344-Q349 HydrophobicContact CE1-CB 4.43Å; F344-Q349 HydrophobicContact CG-CB 4.09Å; E346-Q349 HydrophobicContact CB-CG 4.22Å; E346-Q349 VanDerWaalsContact N-OE1 3.1Å; E346-Q349 WeakPolarHBondContact O-CB 3.45Å; E346-Q349 PolarHBondContact O-N 3.27Å; P347-Q349 PolarHBondContact O-N 3.28Å; Q349-C353 WeakPolarHBondContact O-CB 3.38Å; Q349-C353 PolarHBondContact O-N 3.2Å
350A91.4Very high91.1Very high0 Ų044.5 Ų44.50%024%0.241CC..Hα-helixtrans-65.9-44174.200000111.4V291 F344 P347 A352 C353 I354 L371V291-A350 HydrophobicContact CG2-CB 3.53Å; F344-A350 HydrophobicContact CD2-CB 3.91Å; P347-A350 WeakPolarHBondContact O-CB 3.49Å; P347-A350 PolarHBondContact O-N 3.41Å; P347-A350 VanDerWaalsContact O-N 3.12Å; A350-A352 PolarHBondContact O-N 2.87Å; A350-C353 WeakPolarHBondContact O-CB 3.37Å; A350-C353 PolarHBondContact O-N 2.84Å; A350-I354 WeakPolarHBondContact O-CG1 3.4Å; A350-I354 PolarHBondContact O-N 2.96Å; A350-L371 HydrophobicContact CB-CD2 4.28Å
351D91.2Very high90.9Very high45 Ų4552.6 Ų52.624%0.24127%0.272CS..Hα-helixtrans-59.3-46.6175.5-59.9-25.9000111.5R284 P347 E348 C353 I354 L355R284-D351 IonicContact CZ-OD2 3.28Å; R284-D351 VanDerWaalsContact NH1-CG 3.31Å; R284-D351 IonicContact NH1-OD1 2.76Å; R284-D351 PolarHBondContact NH1-OD1 2.83Å; R284-D351 VanDerWaalsContact NH1-OD1 3.11Å; R284-D351 IonicContact NH1-OD2 3.88Å; R284-D351 PolarHBondContact NH1-OD2 3.3Å; R284-D351 IonicContact NH2-OD2 3.21Å; R284-D351 PolarHBondContact NH2-OD2 3.23Å; P347-D351 PolarHBondContact O-N 2.84Å; E348-D351 PolarHBondContact O-N 3.32Å; D351-C353 PolarHBondContact O-N 2.86Å; D351-I354 PolarHBondContact O-N 2.88Å; D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.8Å; D351-L355 VanDerWaalsContact O-N 3.09Å
352A92.4Very high90.3Very high37 Ų3754.1 Ų54.131%0.30628%0.277SS..Hα-helixtrans-64.7-37.9178.400000113F323 E348 A350 S356F323-A352 HydrophobicContact CD1-CB 4.35Å; E348-A352 PolarHBondContact O-N 3.15Å; E348-A352 VanDerWaalsContact O-N 3.07Å; A350-A352 PolarHBondContact O-N 2.87Å; A352-S356 PolarHBondContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.19Å
353C91.4Very high89.4Confident0 Ų057.6 Ų57.60%031%0.313CS..Hα-helixtrans-62.4-45.1173.3-171.80000111V291 F323 F344 Q349 A350 D351 L355 S356 F357V291-C353 HydrophobicContact CG2-CB 4.38Å; F323-C353 HydrophobicContact CB-CB 4.44Å; F344-C353 HydrophobicContact CE2-CB 3.96Å; F344-C353 HydrophobicContact CZ-CB 3.75Å; Q349-C353 WeakPolarHBondContact O-CB 3.38Å; Q349-C353 PolarHBondContact O-N 3.2Å; A350-C353 WeakPolarHBondContact O-CB 3.37Å; A350-C353 PolarHBondContact O-N 2.84Å; D351-C353 PolarHBondContact O-N 2.86Å; C353-L355 PolarHBondContact O-N 3.04Å; C353-S356 PolarHBondContact O-N 3.07Å; C353-S356 VanDerWaalsContact O-N 3.15Å; C353-F357 WeakPolarHBondContact O-CB 3.5Å; C353-F357 WeakPolarHBondContact O-CD2 3.33Å; C353-F357 PolarHBondContact O-N 3.46Å; C353-F357 VanDerWaalsContact SG-CD2 3.59Å
354I92.4Very high88.9Confident27 Ų2759.6 Ų59.614%0.13834%0.335CS..Hα-helixtrans-60.9-46.3179-73.5165.4000111.6V291 A350 D351 S356 F357 N358 A369 L371V291-I354 HydrophobicContact CB-CG1 4.43Å; V291-I354 HydrophobicContact CG1-CD1 4.24Å; V291-I354 HydrophobicContact CG1-CG1 3.62Å; V291-I354 HydrophobicContact CG2-CD1 4.07Å; V291-I354 HydrophobicContact CG2-CG1 3.96Å; A350-I354 WeakPolarHBondContact O-CG1 3.4Å; A350-I354 PolarHBondContact O-N 2.96Å; D351-I354 PolarHBondContact O-N 2.88Å; I354-S356 PolarHBondContact O-N 2.9Å; I354-F357 PolarHBondContact O-N 2.86Å; I354-N358 WeakPolarHBondContact O-CB 3.43Å; I354-N358 PolarHBondContact O-N 2.82Å; I354-A369 HydrophobicContact CB-CB 4.41Å; I354-A369 HydrophobicContact CG1-CB 4.15Å; I354-A369 HydrophobicContact CG2-CB 4.47Å; I354-L371 HydrophobicContact CD1-CB 4.28Å; I354-L371 HydrophobicContact CD1-CD2 3.47Å; I354-L371 VanDerWaalsContact CD1-CD2 3.47Å; I354-L371 HydrophobicContact CD1-CG 3.5Å; I354-L371 VanDerWaalsContact CD1-CG 3.5Å
355L91.9Very high88.4Confident147 Ų14764.4 Ų64.477%0.7735%0.353SS*.Hα-helixtrans-59.3-27.5177.6-70.8171000113.2D351 C353D351-L355 WeakPolarHBondContact O-CG 3.49Å; D351-L355 PolarHBondContact O-N 2.8Å; D351-L355 VanDerWaalsContact O-N 3.09Å; C353-L355 PolarHBondContact O-N 3.04Å
356S90.7Very high88.3Confident53 Ų5366 Ų6637%0.37136%0.362SS..Hα-helixtrans-96.5-26.6-175.9-530000113.8F323 A352 C353 I354F323-S356 WeakPolarHBondContact CE1-OG 3.5Å; F323-S356 VanDerWaalsContact CZ-CB 3.47Å; A352-S356 PolarHBondContact O-N 3.07Å; A352-S356 PolarHBondContact O-OG 3.19Å; C353-S356 PolarHBondContact O-N 3.07Å; C353-S356 VanDerWaalsContact O-N 3.15Å; I354-S356 PolarHBondContact O-N 2.9Å
357F89.8Confident88.4Confident2 Ų262.3 Ų62.31%0.00935%0.345CS..Hα-helixtrans-94.4-30.8179.9-84.8-110.1000113.2I293 L316 E319 F323 C353 I354 G359 R360 L367 A369I293-F357 HydrophobicContact CD1-CD1 3.72Å; I293-F357 HydrophobicContact CD1-CE1 3.88Å; I293-F357 HydrophobicContact CD1-CG 4.42Å; I293-F357 HydrophobicContact CG1-CD1 4.39Å; I293-F357 HydrophobicContact CG2-CD1 4.48Å; L316-F357 HydrophobicContact CD2-CE1 4.1Å; E319-F357 HydrophobicContact CB-CZ 3.84Å; F323-F357 HydrophobicContact CD2-CE2 4.36Å; F323-F357 HydrophobicContact CE2-CD2 4.46Å; F323-F357 AromaticContact CE2-CE2 3.84Å; F323-F357 HydrophobicContact CE2-CE2 3.84Å; C353-F357 WeakPolarHBondContact O-CB 3.5Å; C353-F357 WeakPolarHBondContact O-CD2 3.33Å; C353-F357 PolarHBondContact O-N 3.46Å; C353-F357 VanDerWaalsContact SG-CD2 3.59Å; I354-F357 PolarHBondContact O-N 2.86Å; F357-G359 PolarHBondContact O-N 3.13Å; F357-R360 WeakPolarHBondContact O-CB 3.39Å; F357-R360 PolarHBondContact O-N 2.84Å; F357-L367 HydrophobicContact CD1-CD1 3.83Å; F357-L367 HydrophobicContact CE1-CD1 4.37Å; F357-L367 WeakPolarHBondContact O-CB 3.48Å; F357-A369 HydrophobicContact CB-CB 3.72Å
358N91.8Very high88.5Confident93 Ų9363.1 Ų63.150%0.49735%0.351SS..THydrogen-bonded Turntrans-68.9116-177.5-167.829.8000111.1I354 A369I354-N358 WeakPolarHBondContact O-CB 3.43Å; I354-N358 PolarHBondContact O-N 2.82Å; N358-A369 HydrophobicContact CB-CB 4.24Å
359G88.4Confident88.6Confident38 Ų3856.2 Ų56.239%0.39232%0.319SS..THydrogen-bonded Turntrans83.53.9-174.200000114.9F357 L367F357-G359 PolarHBondContact O-N 3.13Å; G359-L367 PolarHBondContact N-O 3.17Å
360R89.3Confident88.5Confident91 Ų9158.2 Ų58.234%0.34333%0.328SS..  trans-73.7141.7174.3-176.1172172.3-156.2-8.2110.5E319 F357 Q366 L367E319-R360 VanDerWaalsContact CD-NH1 3.25Å; E319-R360 IonicContact OE1-CZ 2.72Å; E319-R360 IonicContact OE1-NH1 2.61Å; E319-R360 PolarHBondContact OE1-NH1 3.18Å; E319-R360 VanDerWaalsContact OE1-NH1 3.15Å; E319-R360 IonicContact OE1-NH2 2.77Å; E319-R360 PolarHBondContact OE1-NH2 3.49Å; E319-R360 IonicContact OE2-CZ 3.36Å; E319-R360 IonicContact OE2-NH1 2.62Å; E319-R360 PolarHBondContact OE2-NH1 3.04Å; E319-R360 IonicContact OE2-NH2 2.72Å; E319-R360 PolarHBondContact OE2-NH2 3.19Å; F357-R360 WeakPolarHBondContact O-CB 3.39Å; F357-R360 PolarHBondContact O-N 2.84Å; R360-Q366 WeakPolarHBondContact O-CA 3.24Å; R360-L367 PolarHBondContact O-N 3.45Å
361W85.7Confident88.5Confident170 Ų17061.8 Ų61.864%0.64435%0.347SS*.EExtended strand (participates in β ladder)trans-85.7135.1176.3-69.479.7000111.9G364 R365 Q366W361-G364 WeakPolarHBondContact CZ3-O 3.31Å; W361-R365 CarbonylContact C-O 3.6Å; W361-R365 VanDerWaalsContact CA-O 3.27Å; W361-R365 WeakPolarHBondContact CA-O 3.44Å; W361-Q366 HydrophobicContact CD2-CG 3.76Å; W361-Q366 HydrophobicContact CE3-CG 4.08Å; W361-Q366 HydrophobicContact CG-CG 4.28Å; W361-Q366 HydrophobicContact CH2-CG 4.24Å; W361-Q366 HydrophobicContact CZ2-CG 3.91Å; W361-Q366 HydrophobicContact CZ3-CG 4.3Å
362F80.2Confident88.3Confident48 Ų4862.4 Ų62.421%0.21135%0.346CS..EExtended strand (participates in β ladder)trans-150.4132.6178.4-169.6-96000108.9M296 Y312 G364 R365 L367M296-F362 HydrophobicContact CG-CD1 3.93Å; M296-F362 HydrophobicContact CG-CE1 3.94Å; M296-F362 WeakPolarHBondContact O-CD1 3.36Å; Y312-F362 AromaticContact CD1-CE1 3.86Å; Y312-F362 HydrophobicContact CD1-CE1 3.86Å; Y312-F362 AromaticContact CD1-CZ 3.74Å; Y312-F362 HydrophobicContact CD1-CZ 3.74Å; Y312-F362 AromaticContact CE1-CE1 3.45Å; Y312-F362 HydrophobicContact CE1-CE1 3.45Å; Y312-F362 VanDerWaalsContact CE1-CE1 3.45Å; Y312-F362 AromaticContact CE1-CZ 3.58Å; Y312-F362 HydrophobicContact CE1-CZ 3.58Å; F362-G364 PolarHBondContact O-N 3.1Å; F362-R365 PolarHBondContact N-O 3.01Å; F362-R365 PolarHBondContact O-N 3.21Å; F362-R365 VanDerWaalsContact O-O 3.09Å; F362-L367 HydrophobicContact CB-CD1 3.89Å; F362-L367 HydrophobicContact CB-CD2 3.87Å; F362-L367 HydrophobicContact CB-CG 3.83Å; F362-L367 HydrophobicContact CG-CD1 4.44Å; F362-L367 HydrophobicContact CG-CD2 4.47Å
363G72.5Confident87.6Confident73 Ų7366.4 Ų66.475%0.75336%0.362SS*.THydrogen-bonded Turntrans55.425.2-178.900000115.6R365G363-R365 VanDerWaalsContact C-N 3.28Å; G363-R365 PolarHBondContact O-N 3.24Å
364G81.6Confident86.7Confident65 Ų6567.4 Ų67.467%0.6737%0.373SS*.THydrogen-bonded Turntrans77.15.9-173.600000115.3W361 F362W361-G364 WeakPolarHBondContact CZ3-O 3.31Å; F362-G364 PolarHBondContact O-N 3.1Å
365R82.9Confident85.5Confident104 Ų10471.6 Ų71.639%0.39240%0.4SS..EExtended strand (participates in β ladder)trans-113163.9175.8-59.1178.9-177.4-177.41.6110.3F297 W361 F362 G363F297-R365 PolarHBondContact O-NH1 3.17Å; W361-R365 CarbonylContact C-O 3.6Å; W361-R365 VanDerWaalsContact CA-O 3.27Å; W361-R365 WeakPolarHBondContact CA-O 3.44Å; F362-R365 PolarHBondContact N-O 3.01Å; F362-R365 PolarHBondContact O-N 3.21Å; F362-R365 VanDerWaalsContact O-O 3.09Å; G363-R365 VanDerWaalsContact C-N 3.28Å; G363-R365 PolarHBondContact O-N 3.24Å
366Q89.4Confident84.5Confident108 Ų10867.1 Ų67.151%0.50538%0.378SS..EExtended strand (participates in β ladder)trans-97.9129.9170.9-69179.415.700109.9N295 R360 W361N295-Q366 WeakPolarHBondContact CB-O 3.32Å; R360-Q366 WeakPolarHBondContact O-CA 3.24Å; W361-Q366 HydrophobicContact CD2-CG 3.76Å; W361-Q366 HydrophobicContact CE3-CG 4.08Å; W361-Q366 HydrophobicContact CG-CG 4.28Å; W361-Q366 HydrophobicContact CH2-CG 4.24Å; W361-Q366 HydrophobicContact CZ2-CG 3.91Å; W361-Q366 HydrophobicContact CZ3-CG 4.3Å
367L91.7Very high83.4Confident4 Ų471.5 Ų71.52%0.02140%0.397CS..  trans-76.4143.4175.2-59.9-177.6000110.8I293 M296 F357 G359 R360 F362I293-L367 HydrophobicContact CG2-CB 4.4Å; I293-L367 HydrophobicContact CG2-CD1 4.42Å; I293-L367 HydrophobicContact CG2-CD2 4.29Å; M296-L367 VanDerWaalsContact CA-CD2 3.46Å; M296-L367 HydrophobicContact CB-CD2 3.8Å; M296-L367 HydrophobicContact CG-CD2 3.9Å; F357-L367 HydrophobicContact CD1-CD1 3.83Å; F357-L367 HydrophobicContact CE1-CD1 4.37Å; F357-L367 WeakPolarHBondContact O-CB 3.48Å; G359-L367 PolarHBondContact N-O 3.17Å; R360-L367 PolarHBondContact O-N 3.45Å; F362-L367 HydrophobicContact CB-CD1 3.89Å; F362-L367 HydrophobicContact CB-CD2 3.87Å; F362-L367 HydrophobicContact CB-CG 3.83Å; F362-L367 HydrophobicContact CG-CD1 4.44Å; F362-L367 HydrophobicContact CG-CD2 4.47Å
368S91.3Very high82.3Confident31 Ų3173 Ų7322%0.21740%0.403CS..EExtended strand (participates in β ladder)trans-117.9117.8169-170.60000109.9I293 R294I293-S368 CarbonylContact C-O 3.5Å; I293-S368 WeakPolarHBondContact CA-O 3.43Å; R294-S368 PolarHBondContact N-O 3.12Å; R294-S368 PolarHBondContact O-N 3Å; R294-S368 VanDerWaalsContact O-N 3.07Å
369A92.8Very high81Confident2 Ų274.3 Ų74.32%0.01741%0.406CS..EExtended strand (participates in β ladder)trans-109131.7179.600000110.7V291 I292 I293 I354 F357 N358V291-A369 HydrophobicContact CG1-CB 4.24Å; I292-A369 WeakPolarHBondContact O-CA 3.31Å; I293-A369 HydrophobicContact CG1-CB 4.47Å; I354-A369 HydrophobicContact CB-CB 4.41Å; I354-A369 HydrophobicContact CG1-CB 4.15Å; I354-A369 HydrophobicContact CG2-CB 4.47Å; F357-A369 HydrophobicContact CB-CB 3.72Å; N358-A369 HydrophobicContact CB-CB 4.24Å
370Q90.7Very high79.8Confident84 Ų8475.4 Ų75.439%0.39341%0.406SS..EExtended strand (participates in β ladder)trans-140.6154.9-177.9-63.7-173.9-14.400110.9I292 R294I292-Q370 PolarHBondContact N-O 3.26Å; I292-Q370 PolarHBondContact O-N 3.13Å; R294-Q370 VanDerWaalsContact NH1-CD 3.33Å
371L90.4Very high78.2Confident76 Ų7678 Ų7840%0.39842%0.422SS..EExtended strand (participates in β ladder)trans-69.7147169.5-70172000110.1E288 A350 I354E288-L371 WeakPolarHBondContact O-CD2 3.47Å; A350-L371 HydrophobicContact CB-CD2 4.28Å; I354-L371 HydrophobicContact CD1-CB 4.28Å; I354-L371 HydrophobicContact CD1-CD2 3.47Å; I354-L371 VanDerWaalsContact CD1-CD2 3.47Å; I354-L371 HydrophobicContact CD1-CG 3.5Å; I354-L371 VanDerWaalsContact CD1-CG 3.5Å
372W87.8Confident76.6Confident57 Ų5771.5 Ų71.522%0.21640%0.398CS..  trans-80.2126.1174.3-173.947.3000112H287 V290 I292 G374 T376H287-W372 CarbonylContact C-O 3.57Å; H287-W372 HydrophobicContact CB-CD2 4.2Å; H287-W372 HydrophobicContact CB-CE3 3.55Å; H287-W372 HydrophobicContact CB-CZ3 3.96Å; H287-W372 VanDerWaalsContact CB-O 3.3Å; H287-W372 WeakPolarHBondContact CB-O 3.29Å; H287-W372 AromaticContact CD2-CZ3 3.61Å; V290-W372 HydrophobicContact CB-CB 3.89Å; V290-W372 HydrophobicContact CB-CE3 4.08Å; V290-W372 HydrophobicContact CG1-CB 4.07Å; V290-W372 HydrophobicContact CG1-CE3 4.39Å; V290-W372 HydrophobicContact CG2-CE3 4.06Å; V290-W372 WeakPolarHBondContact O-CB 3.36Å; V290-W372 PolarHBondContact O-N 3.16Å; I292-W372 HydrophobicContact CD1-CB 4.14Å; I292-W372 HydrophobicContact CD1-CG 4.16Å; I292-W372 HydrophobicContact CG1-CB 3.87Å; I292-W372 HydrophobicContact CG1-CG 4.2Å; W372-G374 PolarHBondContact O-N 2.9Å; W372-T376 PolarHBondContact NE1-O 2.76Å; W372-T376 PolarHBondContact NE1-OG1 3.34Å
373D77.9Confident75.4Confident122 Ų12273.5 Ų73.565%0.65241%0.414SS*.  trans-75.8-3.8-179.5-164.329.3000113.5T375D373-T375 PolarHBondContact O-N 2.81Å
374G72.2Confident74.4Confident21 Ų2173.7 Ų73.722%0.21640%0.404CS..SBendtrans78.60.5176.400000115.7W372W372-G374 PolarHBondContact O-N 2.9Å
375T67Low73.3Confident115 Ų11578.9 Ų78.971%0.70640%0.404SS*.SBendtrans-123.9-18.3-177.1-47.70000112.6D373 D377D373-T375 PolarHBondContact O-N 2.81Å; T375-D377 PolarHBondContact O-N 2.9Å
376T71.4Confident72.4Confident52 Ų5278.6 Ų78.632%0.31941%0.407SS..  trans-88.4105.6-179.542.80000111.7W372 Y378W372-T376 PolarHBondContact NE1-O 2.76Å; W372-T376 PolarHBondContact NE1-OG1 3.34Å; T376-Y378 WeakPolarHBondContact CB-OH 3.41Å; T376-Y378 WeakPolarHBondContact O-CD2 3.46Å; T376-Y378 VanDerWaalsContact OG1-CE2 3.24Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.38Å; T376-Y378 PolarHBondContact OG1-OH 3.29Å
377D67.1Low71.1Confident145 Ų14579.1 Ų79.178%0.77540%0.404SS*.  trans-81.3112.7169-67.7-36.4000109.4T375 Q379T375-D377 PolarHBondContact O-N 2.9Å; D377-Q379 VanDerWaalsContact C-N 3.31Å
378Y66.1Low69.8Low35 Ų3584 Ų8414%0.13743%0.427CS..  trans-90.86.3176.5-63.4-75.7000113.1I292 R294 F332 H335 V339 T376 V380I292-Y378 HydrophobicContact CB-CE2 4.48Å; I292-Y378 HydrophobicContact CD1-CD2 3.98Å; I292-Y378 HydrophobicContact CD1-CE2 4Å; I292-Y378 HydrophobicContact CG1-CD2 4.32Å; I292-Y378 HydrophobicContact CG1-CE2 3.84Å; I292-Y378 HydrophobicContact CG2-CD2 4.23Å; I292-Y378 HydrophobicContact CG2-CE2 3.92Å; R294-Y378 PolarHBondContact NH2-OH 3.48Å; R294-Y378 VanDerWaalsContact NH2-OH 3.13Å; F332-Y378 WeakPolarHBondContact CD1-O 3.16Å; F332-Y378 WeakPolarHBondContact CG-O 3.34Å; H335-Y378 AromaticContact NE2-CD1 3.94Å; V339-Y378 HydrophobicContact CG1-CD1 4.18Å; V339-Y378 HydrophobicContact CG1-CD2 4.48Å; V339-Y378 HydrophobicContact CG1-CG 3.98Å; T376-Y378 WeakPolarHBondContact CB-OH 3.41Å; T376-Y378 WeakPolarHBondContact O-CD2 3.46Å; T376-Y378 VanDerWaalsContact OG1-CE2 3.24Å; T376-Y378 WeakPolarHBondContact OG1-CE2 3.38Å; T376-Y378 PolarHBondContact OG1-OH 3.29Å; Y378-V380 PolarHBondContact O-N 3.46Å; Y378-V380 VanDerWaalsContact O-N 3.13Å
379Q64.3Low69Low119 Ų11987.2 Ų87.256%0.55644%0.439SS*.  trans-77.594.6175.7-176.4169.7-42.300109.8F332 D377 E381F332-Q379 HydrophobicContact CD1-CB 4.19Å; F332-Q379 HydrophobicContact CE1-CB 3.86Å; D377-Q379 VanDerWaalsContact C-N 3.31Å; Q379-E381 HydrophobicContact CG-CG 4.1Å; Q379-E381 PolarHBondContact NE2-OE1 2.94Å; Q379-E381 PolarHBondContact O-N 3.34Å; Q379-E381 VanDerWaalsContact O-N 3.16Å
380V62.8Low68.1Low62 Ų6293 Ų9338%0.37646%0.46SS..  trans-75.898.2170-175.90000108.4R334 H335 Y378R334-V380 HydrophobicContact CB-CB 4.42Å; H335-V380 HydrophobicContact CB-CG2 4.31Å; Y378-V380 PolarHBondContact O-N 3.46Å; Y378-V380 VanDerWaalsContact O-N 3.13Å
381E56.6Low67.1Low146 Ų14694.2 Ų94.268%0.68247%0.469SS*.PPolyproline II helixtrans-74.5138168.6-61.3-162.915700110.1Q379 T383Q379-E381 HydrophobicContact CG-CG 4.1Å; Q379-E381 PolarHBondContact NE2-OE1 2.94Å; Q379-E381 PolarHBondContact O-N 3.34Å; Q379-E381 VanDerWaalsContact O-N 3.16Å; E381-T383 PolarHBondContact O-N 3.22Å
382E52Low66.3Low33 Ų3396.3 Ų96.315%0.15447%0.474CS..PPolyproline II helixtrans-51.7121.6-177.4-141.8169.5-127.600111.2R334 E386 R387 R390R334-E382 IonicContact CZ-OE1 2.75Å; R334-E382 VanDerWaalsContact CZ-OE1 3.28Å; R334-E382 VanDerWaalsContact NH1-CB 3.31Å; R334-E382 IonicContact NH1-OE1 3.37Å; R334-E382 PolarHBondContact NH1-OE1 3.3Å; R334-E382 IonicContact NH1-OE2 3.48Å; R334-E382 IonicContact NH2-OE1 3.83Å; R334-E382 PolarHBondContact NH2-OE1 3.36Å; E382-E386 HydrophobicContact CG-CB 4.14Å; E382-R387 HydrophobicContact CG-CB 4.1Å; E382-R387 VanDerWaalsContact OE2-CB 3.29Å; E382-R387 WeakPolarHBondContact OE2-CB 3.47Å; E382-R387 VanDerWaalsContact OE2-CG 3.31Å; E382-R387 WeakPolarHBondContact OE2-CG 3.41Å; E382-R387 IonicContact OE2-CZ 2.81Å; E382-R387 IonicContact OE2-NE 3.34Å; E382-R387 PolarHBondContact OE2-NE 3.26Å; E382-R387 IonicContact OE2-NH2 2.9Å; E382-R387 PolarHBondContact OE2-NH2 3.48Å; E382-R390 IonicContact OE1-NE 3.96Å
383T55Low65.6Low89 Ų8995.6 Ų95.655%0.54649%0.485SS..PPolyproline II helixtrans-64.9140.5166.6-51.20000107.4E381 R385 E386 R387E381-T383 PolarHBondContact O-N 3.22Å; T383-R385 PolarHBondContact O-N 3.45Å; T383-E386 WeakPolarHBondContact CB-OE2 3.46Å; T383-E386 PolarHBondContact N-OE2 3.02Å; T383-E386 PolarHBondContact O-N 3.48Å; T383-E386 PolarHBondContact OG1-OE2 3.2Å; T383-R387 PolarHBondContact O-N 3.18Å
384S52.3Low65.2Low78 Ų7897.4 Ų97.455%0.54548%0.483SS..Hα-helixtrans-49.1-31.6-175-510000114R387 E388S384-R387 WeakPolarHBondContact O-CB 3.43Å; S384-E388 PolarHBondContact O-N 3.41Å
385R57.9Low65Low174 Ų174100 Ų10066%0.65750%0.498SS*.Hα-helixtrans-65.9-43.6177.4-176175.7178.8163.70.8114.1T383 R387 E388 E389T383-R385 PolarHBondContact O-N 3.45Å; R385-R387 VanDerWaalsContact C-N 3.29Å; R385-R387 PolarHBondContact O-N 2.93Å; R385-E388 WeakPolarHBondContact O-CB 3.21Å; R385-E388 PolarHBondContact O-N 3.35Å; R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 IonicContact NE-OE1 3.34Å; R385-E389 PolarHBondContact NE-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.39Å; R385-E389 PolarHBondContact O-N 3.34Å
386E63.3Low65.5Low97 Ų9798.9 Ų98.945%0.45349%0.491SS..Hα-helixtrans-67.6-35.4179.1-65.8158.7152.700110.2E382 T383 E388 E389 R390E382-E386 HydrophobicContact CG-CB 4.14Å; T383-E386 WeakPolarHBondContact CB-OE2 3.46Å; T383-E386 PolarHBondContact N-OE2 3.02Å; T383-E386 PolarHBondContact O-N 3.48Å; T383-E386 PolarHBondContact OG1-OE2 3.2Å; E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å; E386-E389 PolarHBondContact O-N 3.01Å; E386-R390 WeakPolarHBondContact O-CB 3.23Å; E386-R390 PolarHBondContact O-N 3.27Å
387R61.7Low65.6Low119 Ų119103.4 Ų103.445%0.44951%0.506SS..Hα-helixtrans-61.5-41.2172-170.1178.2-62.5134.710.6112.4E382 T383 S384 R385 L391E382-R387 HydrophobicContact CG-CB 4.1Å; E382-R387 VanDerWaalsContact OE2-CB 3.29Å; E382-R387 WeakPolarHBondContact OE2-CB 3.47Å; E382-R387 VanDerWaalsContact OE2-CG 3.31Å; E382-R387 WeakPolarHBondContact OE2-CG 3.41Å; E382-R387 IonicContact OE2-CZ 2.81Å; E382-R387 IonicContact OE2-NE 3.34Å; E382-R387 PolarHBondContact OE2-NE 3.26Å; E382-R387 IonicContact OE2-NH2 2.9Å; E382-R387 PolarHBondContact OE2-NH2 3.48Å; T383-R387 PolarHBondContact O-N 3.18Å; S384-R387 WeakPolarHBondContact O-CB 3.43Å; R385-R387 VanDerWaalsContact C-N 3.29Å; R385-R387 PolarHBondContact O-N 2.93Å; R387-L391 WeakPolarHBondContact O-CB 3.48Å; R387-L391 PolarHBondContact O-N 3.43Å
388E65.2Low66Low106 Ų106101.2 Ų101.250%0.49549%0.494SS..Hα-helixtrans-69.7-36.9175.8-73.8177.1-15300112.5S384 R385 E386 L391 K392S384-E388 PolarHBondContact O-N 3.41Å; R385-E388 WeakPolarHBondContact O-CB 3.21Å; R385-E388 PolarHBondContact O-N 3.35Å; E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å; E388-L391 PolarHBondContact O-N 2.71Å; E388-K392 WeakPolarHBondContact O-CB 3.45Å; E388-K392 WeakPolarHBondContact O-CD 3.37Å; E388-K392 VanDerWaalsContact O-CG 3.26Å; E388-K392 WeakPolarHBondContact O-CG 3.49Å; E388-K392 PolarHBondContact O-N 3.02Å; E388-K392 IonicContact OE2-NZ 2.57Å
389E74.8Confident66.1Low100 Ų100103.7 Ų103.747%0.46751%0.51SS..Hα-helixtrans-67.8-41.1176.1-73.2169-167.800110.7R385 E386 L391 K392 G393R385-E389 WeakPolarHBondContact CG-OE1 3.46Å; R385-E389 IonicContact NE-OE1 3.34Å; R385-E389 PolarHBondContact NE-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.39Å; R385-E389 PolarHBondContact O-N 3.34Å; E386-E389 PolarHBondContact O-N 3.01Å; E389-L391 PolarHBondContact O-N 3.48Å; E389-K392 PolarHBondContact O-N 2.88Å; E389-G393 PolarHBondContact O-N 3.28Å
390R73.5Confident65.8Low124 Ų12499.6 Ų99.647%0.46850%0.499SS..Hα-helixtrans-59.7-43.6167.8-168-17464.171.31.7112.1E382 E386 K392 G393 W394E382-R390 IonicContact OE1-NE 3.96Å; E386-R390 WeakPolarHBondContact O-CB 3.23Å; E386-R390 PolarHBondContact O-N 3.27Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K392 PolarHBondContact O-N 3.47Å; R390-G393 PolarHBondContact O-N 3.2Å; R390-W394 WeakPolarHBondContact O-CB 3.26Å; R390-W394 PolarHBondContact O-N 2.85Å
391L68.9Low65.5Low109 Ų10999 Ų9957%0.57150%0.501SS*.Hα-helixtrans-63.1-38.2177.2-162.579.8000111.8R387 E388 E389 S395R387-L391 WeakPolarHBondContact O-CB 3.48Å; R387-L391 PolarHBondContact O-N 3.43Å; E388-L391 PolarHBondContact O-N 2.71Å; E389-L391 PolarHBondContact O-N 3.48Å; L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.49Å; L391-S395 PolarHBondContact O-N 3.22Å
392K74.9Confident65.3Low119 Ų11996.7 Ų96.752%0.51749%0.493SS..Hα-helixtrans-67.6-43.4174.8-73.1161.4-173.3157.60111.8E388 E389 R390 S395 T396E388-K392 WeakPolarHBondContact O-CB 3.45Å; E388-K392 WeakPolarHBondContact O-CD 3.37Å; E388-K392 VanDerWaalsContact O-CG 3.26Å; E388-K392 WeakPolarHBondContact O-CG 3.49Å; E388-K392 PolarHBondContact O-N 3.02Å; E388-K392 IonicContact OE2-NZ 2.57Å; E389-K392 PolarHBondContact O-N 2.88Å; R390-K392 VanDerWaalsContact C-N 3.33Å; R390-K392 PolarHBondContact O-N 3.47Å; K392-S395 PolarHBondContact O-N 3.24Å; K392-T396 WeakPolarHBondContact O-CB 3.48Å; K392-T396 PolarHBondContact O-N 3.37Å; K392-T396 PolarHBondContact O-OG1 2.99Å
393G73.3Confident65.2Low43 Ų43100.9 Ų100.944%0.44351%0.511SS..Hα-helixtrans-59.6-46173.600000112.1E389 R390 T396 F397E389-G393 PolarHBondContact O-N 3.28Å; R390-G393 PolarHBondContact O-N 3.2Å; G393-T396 PolarHBondContact O-N 3.23Å; G393-F397 WeakPolarHBondContact O-CB 3.46Å; G393-F397 PolarHBondContact O-N 3.28Å
394W68.9Low64.9Low160 Ų160104.3 Ų104.361%0.60652%0.521SS*.Hα-helixtrans-67.5-39.1178.1-140.559.8000112.7R390 F397 L398R390-W394 WeakPolarHBondContact O-CB 3.26Å; R390-W394 PolarHBondContact O-N 2.85Å; W394-F397 PolarHBondContact O-N 3.37Å; W394-L398 HydrophobicContact CE3-CD1 4.2Å; W394-L398 HydrophobicContact CZ3-CD1 4.42Å; W394-L398 WeakPolarHBondContact O-CG 3.41Å; W394-L398 PolarHBondContact O-N 2.88Å
395S68.8Low64.6Low75 Ų75106 Ų10652%0.52453%0.527SS..Hα-helixtrans-61.5-42.9171.8-1730000111.9L391 K392 F397 L398 D399L391-S395 VanDerWaalsContact O-CB 3.23Å; L391-S395 WeakPolarHBondContact O-CB 3.49Å; L391-S395 PolarHBondContact O-N 3.22Å; K392-S395 PolarHBondContact O-N 3.24Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 2.9Å; S395-L398 PolarHBondContact O-N 3.31Å; S395-D399 WeakPolarHBondContact O-CB 3.47Å; S395-D399 PolarHBondContact O-N 2.88Å
396T76.1Confident64.1Low92 Ų92104.3 Ų104.356%0.56453%0.527SS*.Hα-helixtrans-66.8-35.5176.8-50.90000111.9K392 G393 G400K392-T396 WeakPolarHBondContact O-CB 3.48Å; K392-T396 PolarHBondContact O-N 3.37Å; K392-T396 PolarHBondContact O-OG1 2.99Å; G393-T396 PolarHBondContact O-N 3.23Å; T396-G400 PolarHBondContact O-N 3.49Å
397F74.8Confident63Low147 Ų147108 Ų10865%0.64554%0.542SS*.Hα-helixtrans-65.6-43.4174.6179.8-99000111.9G393 W394 S395 G400 A401G393-F397 WeakPolarHBondContact O-CB 3.46Å; G393-F397 PolarHBondContact O-N 3.28Å; W394-F397 PolarHBondContact O-N 3.37Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 2.9Å; F397-G400 PolarHBondContact O-N 3.48Å; F397-A401 PolarHBondContact O-N 2.89Å
398L74.8Confident62Low98 Ų98110.2 Ų110.251%0.51356%0.562SS.*Hα-helixtrans-66-43.5175.1-68.9171.6000112.3W394 S395 G400 A401 D402W394-L398 HydrophobicContact CE3-CD1 4.2Å; W394-L398 HydrophobicContact CZ3-CD1 4.42Å; W394-L398 WeakPolarHBondContact O-CG 3.41Å; W394-L398 PolarHBondContact O-N 2.88Å; S395-L398 PolarHBondContact O-N 3.31Å; L398-G400 VanDerWaalsContact C-N 3.27Å; L398-G400 PolarHBondContact O-N 2.92Å; L398-A401 PolarHBondContact O-N 3.28Å; L398-D402 PolarHBondContact O-N 3.26Å; L398-D402 VanDerWaalsContact O-N 3.14Å
399D68.6Low60.6Low88 Ų88109.8 Ų109.847%0.47157%0.571SS.*Hα-helixtrans-66.6-27.6175.2178.7-100.3000112.7S395 K403S395-D399 WeakPolarHBondContact O-CB 3.47Å; S395-D399 PolarHBondContact O-N 2.88Å; D399-K403 WeakPolarHBondContact O-CG 3.42Å; D399-K403 PolarHBondContact O-N 3.39Å; D399-K403 IonicContact OD1-NZ 3.82Å; D399-K403 PolarHBondContact OD1-NZ 2.85Å; D399-K403 IonicContact OD2-NZ 2.72Å; D399-K403 PolarHBondContact OD2-NZ 3.2Å
400G58.4Low58.7Low32 Ų32110.7 Ų110.733%0.3359%0.589SS.*Hα-helixtrans-70-42.6170.700000113.3T396 F397 L398 D402 K403 E404T396-G400 PolarHBondContact O-N 3.49Å; F397-G400 PolarHBondContact O-N 3.48Å; L398-G400 VanDerWaalsContact C-N 3.27Å; L398-G400 PolarHBondContact O-N 2.92Å; G400-D402 VanDerWaalsContact C-N 3.34Å; G400-D402 PolarHBondContact O-N 2.96Å; G400-K403 PolarHBondContact O-N 3.33Å; G400-E404 PolarHBondContact O-N 3.21Å
401A54.8Low56.7Low50 Ų50108.6 Ų108.641%0.41361%0.605SS.*Hα-helixtrans-65-35.4176.700000112.7F397 L398 K403 E404 T405F397-A401 PolarHBondContact O-N 2.89Å; L398-A401 PolarHBondContact O-N 3.28Å; A401-K403 VanDerWaalsContact C-N 3.33Å; A401-E404 PolarHBondContact O-N 3.47Å; A401-T405 PolarHBondContact O-N 2.89Å; A401-T405 PolarHBondContact O-OG1 2.88Å
402D52.3Low54.8Low97 Ų97113 Ų11352%0.51962%0.62SS.*Hα-helixtrans-64.6-39173.6-147.9-87.5000111.3L398 G400 E404 T405 Q406L398-D402 PolarHBondContact O-N 3.26Å; L398-D402 VanDerWaalsContact O-N 3.14Å; G400-D402 VanDerWaalsContact C-N 3.34Å; G400-D402 PolarHBondContact O-N 2.96Å; D402-E404 PolarHBondContact O-N 2.88Å; D402-T405 WeakPolarHBondContact O-CB 3.5Å; D402-T405 PolarHBondContact O-N 3.18Å; D402-Q406 PolarHBondContact O-N 2.57Å
403K50.8Low53.9Low122 Ų122113 Ų11353%0.5363%0.632SS.*Hα-helixtrans-69.2-28.2177.7-76.2-177.6177780115D399 G400 A401D399-K403 WeakPolarHBondContact O-CG 3.42Å; D399-K403 PolarHBondContact O-N 3.39Å; D399-K403 IonicContact OD1-NZ 3.82Å; D399-K403 PolarHBondContact OD1-NZ 2.85Å; D399-K403 IonicContact OD2-NZ 2.72Å; D399-K403 PolarHBondContact OD2-NZ 3.2Å; G400-K403 PolarHBondContact O-N 3.33Å; A401-K403 VanDerWaalsContact C-N 3.33Å
404E48.5Very low51.6Low161 Ų161115.9 Ų115.975%0.75265%0.651SS**Hα-helixtrans-72.7-36.3170.4-71.1-157.3135.600111.6G400 A401 D402 Q406 K407G400-E404 PolarHBondContact O-N 3.21Å; A401-E404 PolarHBondContact O-N 3.47Å; D402-E404 PolarHBondContact O-N 2.88Å; E404-Q406 VanDerWaalsContact C-N 3.3Å; E404-Q406 PolarHBondContact O-N 3.35Å; E404-K407 PolarHBondContact O-N 2.72Å
405T46.5Very low49.7Very low112 Ų112117.1 Ų117.169%0.68766%0.664SS**Hα-helixtrans-62.9-35.3177.7-52.20000112A401 D402A401-T405 PolarHBondContact O-N 2.89Å; A401-T405 PolarHBondContact O-OG1 2.88Å; D402-T405 WeakPolarHBondContact O-CB 3.5Å; D402-T405 PolarHBondContact O-N 3.18Å
406Q47.8Very low47.7Very low139 Ų139119.3 Ų119.365%0.6568%0.68SS**G310 helixtrans-81.3-10.1179-66.5-1614.200115.8D402 E404 S409D402-Q406 PolarHBondContact O-N 2.57Å; E404-Q406 VanDerWaalsContact C-N 3.3Å; E404-Q406 PolarHBondContact O-N 3.35Å; Q406-S409 PolarHBondContact O-OG 3.34Å
407K40.3Very low45.4Very low174 Ų174122.3 Ų122.376%0.75769%0.692SS**G310 helixtrans-79.3-15.5-178.4-104.1180179.6173.60114.9E404 S409E404-K407 PolarHBondContact O-N 2.72Å; K407-S409 VanDerWaalsContact C-N 3.35Å
408N39.3Very low43.1Very low166 Ų166121.8 Ų121.889%0.88870%0.701SS**G310 helixtrans-86.13.1179-102.10.5000114.7
409S37.2Very low40.9Very low97 Ų97125.5 Ų125.568%0.67872%0.716SS**  trans-125.463.1-178.860.30000113.1Q406 K407Q406-S409 PolarHBondContact O-OG 3.34Å; K407-S409 VanDerWaalsContact C-N 3.35Å
410S35.3Very low40.2Very low120 Ų120126.1 Ų126.184%0.83972%0.724SS**  trans-11097.1171.958.30000112.4
411G29.4Very low38.8Very low79 Ų79129.7 Ų129.781%0.81474%0.744SS**  trans-142.897173.800000111.7
412K30.3Very low37.6Very low203 Ų203135.5 Ų135.588%0.88376%0.763SS**  trans-84.6175.9174.6-105-167.9170.1-179.80110.9
413P55.8Low36.5Very low118 Ų118135.6 Ų135.677%0.76677%0.771SS**  cis-136.6177-37.437.3-20.7000113.1
414A25.8Very low35.4Very low103 Ų103135.5 Ų135.585%0.85178%0.781SS**  trans-157.3157.9155.300000111.8
415E28.1Very low34.5Very low187 Ų187133.2 Ų133.287%0.87478%0.783SS**  trans-104.5156.3-163.7-57167.7119.900114.9
416S26.4Very low33.8Very low121 Ų121132.1 Ų132.185%0.84679%0.785SS**  147.2137.4115.763.10000116.9
417N28.1Very low32.8Very low154 Ų154132 Ų13282%0.82479%0.794SS**  trans-10.3145.8168-83.7-5000121.9
418T26.4Very low32.3Very low137 Ų137131.8 Ų131.884%0.8480%0.796SS**  179.4142.693.4-61.90000112.2
419E28.3Very low32.8Very low176 Ų176128.3 Ų128.382%0.82278%0.783SS**  trans-102.1-179.2179.2-106.2-171.6145.900112.2
420P54.2Low32.3Very low100 Ų100132.3 Ų132.365%0.64979%0.79SS**  cis-138.1-156-23.936.9-15.5000113.4
421S28.3Very low32.2Very low107 Ų107134.4 Ų134.475%0.74879%0.787SS**  trans75.9143.8161.158.10000119.2
422E29.8Very low32Very low172 Ų172137.6 Ų137.680%0.80479%0.791SS**  cis-160.41368.2-135.3-178.3162.700115.3
423S30.6Very low32Very low99 Ų99136.1 Ų136.169%0.69279%0.787SS**  trans63.4158.8143.386.90000121.9
424T26.8Very low31.6Very low120 Ų120135.4 Ų135.474%0.73678%0.783SS**  cis-152.2143.815.619.80000113.7
425S30.3Very low31.7Very low113 Ų113138.6 Ų138.679%0.7978%0.78SS**  trans49.3154.1143.566.20000122.1
426A30.8Very low31.6Very low89 Ų89134 Ų13474%0.73677%0.768SS**  cis-172.9173.47.600000108.6
427T27.9Very low31.7Very low137 Ų137132.8 Ų132.884%0.8476%0.76SS**  cis-174.3145.2-22.2-85.40000109
428E29.2Very low31.8Very low170 Ų170133.6 Ų133.679%0.79476%0.758SS**  trans-88.1-177.3173-119.5-156.882.400111.7
429P49.2Very low32.1Very low93 Ų93135.9 Ų135.960%0.60476%0.76SS**  cis-137.4-175.78.140.9-20.6000115.3
430Q28.4Very low32.1Very low180 Ų180137.1 Ų137.184%0.84177%0.765SS**  161.3146.5100.9-139.6164.53000115.4
431Q32.9Very low31Very low164 Ų164141 Ų14177%0.76678%0.775SS**  trans-86.9166.9-176.2-56.2158.7-60.600113.7
432T25.6Very low31.2Very low147 Ų147143.5 Ų143.590%0.90278%0.775SS**  -16012113040000112.6
433E29.7Very low31.2Very low171 Ų171145.9 Ų145.980%0.79978%0.776SS**  trans-78.8-174.9158.4-74-172.792.600109.9
434P46.2Very low31.6Very low104 Ų104146.7 Ų146.768%0.67578%0.777SS**  cis-136.6-157.68.644-21.7000113.7
435Q28.7Very low31.8Very low170 Ų170147.7 Ų147.779%0.79478%0.778SS**  cis-158.9-175.63.4-143.5169-43.600113.1
436S27Very low32Very low89 Ų89146.8 Ų146.862%0.62277%0.772SS**  trans-30.5164.2160.461.50000120.1
437S27.7Very low32.2Very low96 Ų96148.7 Ų148.767%0.67177%0.774SS**  cis-166.11584146.50000116.3
438E30.1Very low32.3Very low171 Ų171148.5 Ų148.580%0.79977%0.768SS**  trans18.4127.1150.1-68.6151.7112.500121.1
439Q31.7Very low32.9Very low186 Ų186145.4 Ų145.487%0.86977%0.765SS**  64.6111.670.3-74.2-167.2-0.600116.5
440Q28.8Very low32.3Very low201 Ų201145.6 Ų145.694%0.93977%0.768SS**  -166.7161.6129.1-114.1176.15.100113.8
441E31.7Very low32.8Very low181 Ų181145.3 Ų145.385%0.84677%0.772SS**  trans-103.1170.4-166.3-60.4171.4120.500114.4
442E32.5Very low33.1Very low160 Ų160142.6 Ų142.675%0.74878%0.777SS**  trans36.5129.1156.3-66.9-161.4133.600121.7
443R29.4Very low33.5Very low222 Ų222139.4 Ų139.484%0.83877%0.774SS**  -171.2174104.2-101.7167.1-164.7-86-11.5114.9
444V39.2Very low34.3Very low116 Ų116137.1 Ų137.170%0.70378%0.777SS**  trans-91.1-177.4-162.1-68.80000115.2
445D31Very low34.5Very low142 Ų142138.5 Ų138.576%0.75978%0.779SS**  trans93.396.4160-78.8-63.1000120.8
446S33.8Very low35.6Very low94 Ų94137.7 Ų137.766%0.65778%0.78SS**  48.4141.9103.7-141.60000122.2
447T35.3Very low37Very low128 Ų128140.6 Ų140.679%0.78578%0.784SS**  trans85.8120.5159.366.10000121.7
448D30.8Very low38Very low134 Ų134143 Ų14372%0.71779%0.789SS**  66.5109129.7-164.236.5000121.9
449S41.1Very low38.8Very low105 Ų105143.2 Ų143.273%0.73482%0.82SS**  -179.3107119.4-84.30000114.5
450S37.6Very low39.1Very low96 Ų96141.1 Ų141.167%0.67182%0.817SS**  54.8139.3120.5-62.70000124.5
451L37.3Very low39.7Very low174 Ų174137.9 Ų137.991%0.91181%0.811SS**  trans79.794.7147.5-70.6158000121.1
452A39.6Very low40.1Very low107 Ų107135.5 Ų135.588%0.88481%0.809SS**  -161.2124.1119.300000109.9
453G34.6Very low40.6Very low81 Ų81134.1 Ų134.184%0.83581%0.812SS**  trans-120.7146.7170.600000110.6
454S46.9Very low41.3Very low122 Ų122128.6 Ų128.685%0.85381%0.811SS**  trans-158.4103.1144-160.20000108.2
455D50.7Low41.4Very low133 Ų133129.4 Ų129.471%0.71182%0.818SS**  trans-77.1151.6156.5-161.4-77.3000108.2
456N50Low42.2Very low154 Ų154128.5 Ų128.582%0.82482%0.822SS**  trans-153.6108.6159.6-169.3103.6000110.1
457E57.8Low42.8Very low150 Ų150131.2 Ų131.270%0.70184%0.835SS**  trans-63.6164.4-174.5-67.3-177.8129.800117.2
458D47.9Very low43.4Very low147 Ų147131.4 Ų131.479%0.78684%0.839SS**  trans51.1126.3138.5-74-130.2000123.6
459A47Very low44.6Very low174 Ų174131.2 Ų131.2100%1.43885%0.85SS**  -157.5092.200000112.3

Retrieved 459 of 459 residues in 403.1 ms (Link to these results)