A0A087X1N4_HUMAN Loading...

Synaptotagmin like 1

AlphaFold DB , UniProt , Accession A0A087X1N4, Species HUMAN (Homo sapiens, Human), Gene SYTL1, Length 497 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low35.6Very low226 Ų226148.6 Ų148.6100%1.11382%0.817SS**  0144.70-67.8-56.5-174.700108
2P53.8Low35.2Very low122 Ų122148.7 Ų148.779%0.79281%0.814SS**  cis-98.4-158.7-13.26.817.8000109.8
3Q34.4Very low34.6Very low161 Ų161156.3 Ų156.375%0.75282%0.824SS**  cis-154.3141.9-49.7-98.6-81.726.600109.2
4R40.8Very low34.1Very low231 Ų231150.8 Ų150.887%0.87281%0.812SS**  trans-22.1142.3167.3-176-174.9-69.7-175.4-4.7120.1
5G28.5Very low34.2Very low75 Ų75151.2 Ų151.277%0.77381%0.812SS**  trans-173.4126160.600000116.1
6H32Very low34.1Very low190 Ų190148.6 Ų148.688%0.8881%0.806SS**  trans-115.1179.4165.1-81.2-75.9000108.1
7P47.7Very low33.9Very low114 Ų114146.5 Ų146.574%0.7481%0.805SS**  cis-129.6-172.9-3.242.1-27000113.9
8S29.5Very low33.8Very low123 Ų123146.8 Ų146.886%0.8681%0.805SS**  trans-179.5168.7133.3-80.90000113.2
9Q29.4Very low33.9Very low155 Ų155145.6 Ų145.672%0.72481%0.805SS**  trans-85.4161.6-173.5-84.9166.7-84.600115.8
10E27.2Very low33.8Very low172 Ų172147.6 Ų147.680%0.80481%0.81SS**  trans46.5136.5137.6-66.7155.9-151.600121.8
11G28.6Very low33.7Very low66 Ų66145 Ų14568%0.6881%0.809SS**  trans16667.4163.400000118.4
12L29.8Very low33.5Very low149 Ų149143.2 Ų143.278%0.7880%0.797SS**  trans65.1147.7153.1-58.2160.4000116
13W27.7Very low32.8Very low248 Ų248139.8 Ų139.894%0.93978%0.784SS**  cis-134.313239.1-65.278.8000113.9
14A27.6Very low32.8Very low79 Ų79138.2 Ų138.265%0.65379%0.787SS**  trans-149.8122.8157.400000104.8
15L35.4Very low32.6Very low157 Ų157136 Ų13682%0.82278%0.784SS**  173.6177.283.8-90.7178.5000106.1
16P32.3Very low33.1Very low109 Ų109138.4 Ų138.471%0.70879%0.786SS**  cis-135.6159.818.440.9-23.3000117.4
17S31.4Very low33.5Very low113 Ų113137.1 Ų137.179%0.7978%0.781SS**PPolyproline II helixtrans-96.1129.1156.8-54.40000109
18L31.8Very low33.5Very low153 Ų153136.7 Ų136.780%0.80178%0.776SS**PPolyproline II helixtrans-70152.4172.4-90.687.9000111.3M20L18-M20 PolarHBondContact O-N 3.29Å
19P36.3Very low34.6Very low124 Ų124139.6 Ų139.681%0.80578%0.776SS**PPolyproline II helixtrans-74121.4-179.930.1-33.9000111.2
20M32.6Very low36.2Very low184 Ų184134.7 Ų134.791%0.90677%0.767SS**PPolyproline II helixtrans-88.6149.3159.8-79-67.417200109.9L18L18-M20 PolarHBondContact O-N 3.29Å
21A31.3Very low38.4Very low95 Ų95129.6 Ų129.679%0.78575%0.745SS**PPolyproline II helixtrans-56.4146.9-16300000114.5G23A21-G23 PolarHBondContact O-N 2.83Å
22H36Very low40.8Very low188 Ų188130.5 Ų130.587%0.8773%0.734SS**  trans-62.4103.5163.6-80.4-64.9000109.7
23G38Very low43.2Very low50 Ų50128.6 Ų128.652%0.51572%0.724SS.*PPolyproline II helixtrans-58.2158.7150.700000110.1A21 K25A21-G23 PolarHBondContact O-N 2.83Å; G23-K25 PolarHBondContact O-N 3.2Å
24P35.7Very low45.7Very low127 Ų127117.8 Ų117.883%0.82569%0.685SS**PPolyproline II helixtrans-55.6137.3-178.623.8-33.6000110.5
25K35.3Very low48.1Very low185 Ų185117.5 Ų117.580%0.80468%0.678SS**PPolyproline II helixtrans-57.7134.1167.7-74.5177.1177.8172.60107.3G23 E27G23-K25 PolarHBondContact O-N 3.2Å; K25-E27 PolarHBondContact O-N 2.95Å; K25-E27 VanDerWaalsContact O-N 3.13Å
26P39.1Very low50.3Low125 Ų125117 Ų11781%0.81267%0.67SS**PPolyproline II helixtrans-60122.3177.525-33.4000109.1
27E40.7Very low52.8Low164 Ų164112.9 Ų112.977%0.76664%0.641SS**PPolyproline II helixtrans-61.1144.9177.5-66.5172.3162.800109.5K25 E29K25-E27 PolarHBondContact O-N 2.95Å; K25-E27 VanDerWaalsContact O-N 3.13Å; E27-E29 PolarHBondContact O-N 3.16Å
28T48.3Very low55.6Low104 Ų104110.5 Ų110.564%0.63862%0.622SS**THydrogen-bonded Turntrans-70-4-166.333.60000115
29E52.2Low58.3Low184 Ų184111.1 Ų111.186%0.8662%0.621SS**THydrogen-bonded Turntrans-88.4-10.2-169.8-51.5-161.414600114.3E27E27-E29 PolarHBondContact O-N 3.16Å
30G62.2Low60.9Low53 Ų53112.1 Ų112.155%0.54662%0.615SS.*SBendtrans-89.3-15.3-177.100000116.4L101G30-L101 WeakPolarHBondContact O-CD1 3.2Å
31L73.4Confident63.5Low65 Ų65107.6 Ų107.634%0.3459%0.591SS.*PPolyproline II helixtrans-82.6140.1-168.6-76.8157.5000113L101 A104 S105L31-L101 HydrophobicContact CD2-CD1 4.24Å; L31-A104 HydrophobicContact CD2-CB 3.99Å; L31-S105 WeakPolarHBondContact CD2-OG 3.42Å
32L79.8Confident66.1Low84 Ų84104.9 Ų104.944%0.4456%0.563SS.*PPolyproline II helixtrans-74.2132.1174.5-62.2171.9000109.8L34 L101 V102 S105L32-L34 HydrophobicContact CB-CD2 4.44Å; L32-L34 HydrophobicContact CB-CG 4.44Å; L32-L101 HydrophobicContact CD1-CD2 4.29Å; L32-L101 HydrophobicContact CD1-CG 4.45Å; L32-L101 HydrophobicContact CG-CD2 4Å; L32-L101 HydrophobicContact CG-CG 4.28Å; L32-V102 HydrophobicContact CD1-CG2 3.78Å; L32-S105 PolarHBondContact N-OG 2.86Å; L32-S105 WeakPolarHBondContact O-CB 3.26Å; L32-S105 PolarHBondContact O-OG 2.87Å
33D80.3Confident68.7Low109 Ų109102.7 Ų102.758%0.58355%0.553SS**PPolyproline II helixtrans-70.9132.4163.1-173.925000109.8S35 F36D33-S35 VanDerWaalsContact CG-OG 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 3.08Å; D33-S35 PolarHBondContact OD1-OG 3.42Å; D33-S35 WeakPolarHBondContact OD2-CB 3.41Å; D33-S35 PolarHBondContact OD2-OG 2.79Å; D33-F36 VanDerWaalsContact O-CE1 3.3Å; D33-F36 WeakPolarHBondContact O-CE1 3.37Å
34L80.4Confident71.2Confident22 Ų22103.3 Ų103.312%0.11555%0.553CS.*  trans-132.522.5177.8-59.4177.6000110.3L32 F36 L37 V102 M106 K109L32-L34 HydrophobicContact CB-CD2 4.44Å; L32-L34 HydrophobicContact CB-CG 4.44Å; L34-F36 VanDerWaalsContact C-N 3.31Å; L34-F36 PolarHBondContact O-N 2.69Å; L34-L37 HydrophobicContact CB-CD1 4.08Å; L34-L37 HydrophobicContact CD2-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.44Å; L34-V102 HydrophobicContact CD1-CG1 4.31Å; L34-M106 HydrophobicContact CD1-CG 3.74Å; L34-K109 PolarHBondContact O-NZ 2.65Å
35S76.8Confident73.8Confident72 Ų7299.7 Ų99.750%0.50353%0.526SS..THydrogen-bonded Turntrans-56.1-43.4177.363.30000112D33 L37 K109D33-S35 VanDerWaalsContact CG-OG 3.27Å; D33-S35 WeakPolarHBondContact OD1-CB 3.27Å; D33-S35 PolarHBondContact OD1-N 3.08Å; D33-S35 PolarHBondContact OD1-OG 3.42Å; D33-S35 WeakPolarHBondContact OD2-CB 3.41Å; D33-S35 PolarHBondContact OD2-OG 2.79Å; S35-L37 PolarHBondContact O-N 3.36Å; S35-K109 PolarHBondContact O-NZ 3.18Å
36F82.9Confident76.3Confident148 Ų14892.4 Ų92.465%0.64950%0.5SS*.THydrogen-bonded Turntrans-70.2-21.3-174.758.3-94.2000115.4D33 L34D33-F36 VanDerWaalsContact O-CE1 3.3Å; D33-F36 WeakPolarHBondContact O-CE1 3.37Å; L34-F36 VanDerWaalsContact C-N 3.31Å; L34-F36 PolarHBondContact O-N 2.69Å
37L84.6Confident78.8Confident22 Ų2287.5 Ų87.512%0.11547%0.473CS..  trans-67.4138.2-175.8-65.6-179.8000113.2L34 S35 E41 Q42 I45 K109L34-L37 HydrophobicContact CB-CD1 4.08Å; L34-L37 HydrophobicContact CD2-CD1 3.96Å; L34-L37 HydrophobicContact CG-CD1 4.44Å; S35-L37 PolarHBondContact O-N 3.36Å; L37-E41 VanDerWaalsContact CA-OE2 3.26Å; L37-E41 WeakPolarHBondContact CA-OE2 3.19Å; L37-E41 HydrophobicContact CB-CB 4.34Å; L37-E41 HydrophobicContact CD2-CB 4.17Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.33Å; L37-Q42 HydrophobicContact CB-CG 3.74Å; L37-Q42 HydrophobicContact CD1-CG 4.05Å; L37-I45 HydrophobicContact CD1-CD1 3.62Å; L37-I45 HydrophobicContact CD2-CD1 4.47Å; L37-K109 PolarHBondContact O-NZ 2.91Å
38T90.8Very high81.3Confident63 Ų6382.7 Ų82.739%0.38746%0.455SS..  trans-70.8168.5171.485.20000112.1E40 E41 Q42T38-E40 VanDerWaalsContact C-N 3.35Å; T38-E40 VanDerWaalsContact CB-OE2 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.44Å; T38-E40 PolarHBondContact OG1-N 2.73Å; T38-E40 PolarHBondContact OG1-OE2 2.83Å; T38-E41 HydrophobicContact CG2-CG 4.47Å; T38-E41 PolarHBondContact N-OE2 3.25Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 PolarHBondContact OG1-N 2.84Å; T38-Q42 WeakPolarHBondContact O-CB 3.36Å; T38-Q42 VanDerWaalsContact O-CG 3.3Å; T38-Q42 WeakPolarHBondContact O-CG 3.45Å; T38-Q42 PolarHBondContact O-N 3.36Å
39E87.5Confident83.3Confident166 Ų16678.6 Ų78.678%0.77643%0.428SS*.Hα-helixtrans-66.9-35.6176.6-167.9158.3-159.400111.6Q42 E43E39-Q42 PolarHBondContact O-N 2.88Å; E39-E43 PolarHBondContact O-N 3.43Å
40E90.3Very high85.1Confident145 Ų14576.9 Ų76.968%0.67842%0.421SS*.Hα-helixtrans-67.6-42.1174.8-50.398156.500112.3T38 Q42 E43 A44T38-E40 VanDerWaalsContact C-N 3.35Å; T38-E40 VanDerWaalsContact CB-OE2 3.25Å; T38-E40 WeakPolarHBondContact CB-OE2 3.44Å; T38-E40 PolarHBondContact OG1-N 2.73Å; T38-E40 PolarHBondContact OG1-OE2 2.83Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.32Å; E40-E43 PolarHBondContact O-N 2.53Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.95Å
41E87.6Confident86.5Confident88 Ų8881.8 Ų81.841%0.41142%0.422SS..Hα-helixtrans-63.2-40.4176-68.5178.2137.900111.5L37 T38 A44 I45L37-E41 VanDerWaalsContact CA-OE2 3.26Å; L37-E41 WeakPolarHBondContact CA-OE2 3.19Å; L37-E41 HydrophobicContact CB-CB 4.34Å; L37-E41 HydrophobicContact CD2-CB 4.17Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.33Å; T38-E41 HydrophobicContact CG2-CG 4.47Å; T38-E41 PolarHBondContact N-OE2 3.25Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 PolarHBondContact OG1-N 2.84Å; E41-A44 PolarHBondContact O-N 2.83Å; E41-I45 WeakPolarHBondContact O-CD1 3.28Å; E41-I45 VanDerWaalsContact O-CG1 3.26Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.31Å
42Q87.2Confident87.1Confident39 Ų3981.2 Ų81.218%0.18242%0.42CS..Hα-helixtrans-66.3-41.5176.9-72.9-165-25.200112.5L37 T38 E39 E40 I45 A46 M106 K109L37-Q42 HydrophobicContact CB-CG 3.74Å; L37-Q42 HydrophobicContact CD1-CG 4.05Å; T38-Q42 WeakPolarHBondContact O-CB 3.36Å; T38-Q42 VanDerWaalsContact O-CG 3.3Å; T38-Q42 WeakPolarHBondContact O-CG 3.45Å; T38-Q42 PolarHBondContact O-N 3.36Å; E39-Q42 PolarHBondContact O-N 2.88Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.32Å; Q42-I45 PolarHBondContact O-N 3.18Å; Q42-A46 WeakPolarHBondContact O-CB 3.31Å; Q42-A46 PolarHBondContact O-N 2.91Å; Q42-M106 HydrophobicContact CB-CE 4.23Å; Q42-M106 WeakPolarHBondContact O-CE 3.4Å; Q42-K109 VanDerWaalsContact NE2-CD 3.34Å
43E89Confident87.5Confident141 Ų14179 Ų7966%0.65941%0.414SS*.Hα-helixtrans-68.5-37.5176.7-165.960.2-156.200111.6E39 E40 I45 A46 G47E39-E43 PolarHBondContact O-N 3.43Å; E40-E43 PolarHBondContact O-N 2.53Å; E43-I45 PolarHBondContact O-N 3.17Å; E43-A46 PolarHBondContact O-N 3.32Å; E43-G47 PolarHBondContact O-N 2.9Å
44A90.7Very high88Confident63 Ų6382.4 Ų82.452%0.52142%0.419SS..Hα-helixtrans-60.5-44.7173.300000112.2E40 E41 G47 V48E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.95Å; E41-A44 PolarHBondContact O-N 2.83Å; A44-G47 PolarHBondContact O-N 2.95Å; A44-V48 PolarHBondContact O-N 2.97Å
45I90.3Very high88.4Confident52 Ų5286.7 Ų86.727%0.26744%0.441SS..Hα-helixtrans-67.4-39.5176.2-66.8163000111L37 E41 Q42 E43 G47 V48 L49 V102 M106L37-I45 HydrophobicContact CD1-CD1 3.62Å; L37-I45 HydrophobicContact CD2-CD1 4.47Å; E41-I45 WeakPolarHBondContact O-CD1 3.28Å; E41-I45 VanDerWaalsContact O-CG1 3.26Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.31Å; Q42-I45 PolarHBondContact O-N 3.18Å; E43-I45 PolarHBondContact O-N 3.17Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.04Å; I45-V48 WeakPolarHBondContact O-CB 3.39Å; I45-V48 PolarHBondContact O-N 3.01Å; I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.68Å; I45-V102 HydrophobicContact CG2-CG1 3.85Å; I45-M106 HydrophobicContact CB-CE 4.31Å; I45-M106 HydrophobicContact CB-SD 4.37Å; I45-M106 HydrophobicContact CG2-CE 4.2Å; I45-M106 HydrophobicContact CG2-SD 3.62Å
46A88.9Confident88.7Confident31 Ų3187 Ų8726%0.25643%0.431SS..Hα-helixtrans-59.4-43.7173.300000111.4Q42 E43 V48 L49 Q50 M106Q42-A46 WeakPolarHBondContact O-CB 3.31Å; Q42-A46 PolarHBondContact O-N 2.91Å; E43-A46 PolarHBondContact O-N 3.32Å; A46-V48 VanDerWaalsContact C-N 3.32Å; A46-V48 PolarHBondContact O-N 2.88Å; A46-L49 PolarHBondContact O-N 2.76Å; A46-Q50 WeakPolarHBondContact O-CB 3.29Å; A46-Q50 PolarHBondContact O-N 3.05Å; A46-M106 HydrophobicContact CB-CE 4.12Å
47G90.8Very high89Confident23 Ų2386.8 Ų86.824%0.23743%0.432CS..Hα-helixtrans-64.6-27.9175.100000114.3E43 A44 I45 R51E43-G47 PolarHBondContact O-N 2.9Å; A44-G47 PolarHBondContact O-N 2.95Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.04Å; G47-R51 WeakPolarHBondContact O-CG 3.47Å; G47-R51 PolarHBondContact O-N 2.81Å; G47-R51 PolarHBondContact O-NE 2.89Å
48V93.8Very high89.3Confident63 Ų6391 Ų9138%0.38245%0.454SS..Hα-helixtrans-69.2-55.3166.1175.90000110A44 I45 A46 Q50 R51 D52A44-V48 PolarHBondContact O-N 2.97Å; I45-V48 WeakPolarHBondContact O-CB 3.39Å; I45-V48 PolarHBondContact O-N 3.01Å; A46-V48 VanDerWaalsContact C-N 3.32Å; A46-V48 PolarHBondContact O-N 2.88Å; V48-Q50 PolarHBondContact O-N 2.82Å; V48-Q50 VanDerWaalsContact O-N 3.1Å; V48-R51 VanDerWaalsContact CG2-NH2 3.31Å; V48-R51 PolarHBondContact O-N 2.79Å; V48-D52 PolarHBondContact O-N 2.98Å
49L90.1Very high89.1Confident17 Ų1791.6 Ų91.69%0.08945%0.453CS..Hα-helixtrans-60.8-24.7-175.4-69.2174.3000114.4I45 A46 A53 S99 V102 R103 M106I45-L49 HydrophobicContact CG2-CD1 4.09Å; I45-L49 HydrophobicContact CG2-CG 4.38Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.68Å; A46-L49 PolarHBondContact O-N 2.76Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.89Å; L49-S99 WeakPolarHBondContact CD2-O 3.4Å; L49-V102 HydrophobicContact CD1-CG1 4.01Å; L49-R103 HydrophobicContact CD1-CB 4.19Å; L49-R103 PolarHBondContact O-NH2 3.38Å; L49-M106 HydrophobicContact CD1-SD 3.67Å
50Q89.8Confident89.1Confident149 Ų14990.4 Ų90.470%0.69645%0.447SS*.Hα-helixtrans-79.1-40.7173.3-168.3-175.927.800112.3A46 V48 A53 R54A46-Q50 WeakPolarHBondContact O-CB 3.29Å; A46-Q50 PolarHBondContact O-N 3.05Å; V48-Q50 PolarHBondContact O-N 2.82Å; V48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-A53 PolarHBondContact O-N 2.91Å; Q50-R54 PolarHBondContact O-N 3.49Å
51R91.1Very high89.1Confident155 Ų15585 Ų8559%0.58543%0.43SS*.Hα-helixtrans-63.7-45.5173.6-76.6178.2-71.6152.9-5.9110.9G47 V48 A53 R54 L55G47-R51 WeakPolarHBondContact O-CG 3.47Å; G47-R51 PolarHBondContact O-N 2.81Å; G47-R51 PolarHBondContact O-NE 2.89Å; V48-R51 VanDerWaalsContact CG2-NH2 3.31Å; V48-R51 PolarHBondContact O-N 2.79Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.28Å; R51-R54 PolarHBondContact O-N 3.2Å; R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.42Å
52D87.4Confident89.4Confident54 Ų5485.5 Ų85.529%0.28943%0.428SS..Hα-helixtrans-56.1-44.5173.5-82.724.7000112.2V48 L55 R56V48-D52 PolarHBondContact O-N 2.98Å; D52-L55 PolarHBondContact O-N 3.25Å; D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.31Å
53A86.4Confident89.4Confident38 Ų3884.6 Ų84.631%0.31443%0.425SS..Hα-helixtrans-63.6-41.8178.100000112.1L49 Q50 R51 R56 Q57L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 2.89Å; Q50-A53 PolarHBondContact O-N 2.91Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 3.28Å; A53-R56 PolarHBondContact O-N 3.01Å; A53-Q57 PolarHBondContact O-N 2.81Å; A53-Q57 VanDerWaalsContact O-N 3.1Å
54R90.9Very high89.5Confident180 Ų18081.7 Ų81.768%0.67942%0.42SS*.Hα-helixtrans-64.6-42.3175-176.9179.8177.1-173.3-1.1111.9Q50 R51 Q57 L58Q50-R54 PolarHBondContact O-N 3.49Å; R51-R54 PolarHBondContact O-N 3.2Å; R54-Q57 PolarHBondContact O-N 3.22Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.42Å; R54-L58 PolarHBondContact O-N 3.38Å; R54-L58 VanDerWaalsContact O-N 3.12Å
55L88.6Confident89.6Confident111 Ų11186 Ų8658%0.58143%0.428SS*.Hα-helixtrans-62.5-43.3176.1-72.4171.2000111.1R51 D52 Q57 L58 E59R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.42Å; D52-L55 PolarHBondContact O-N 3.25Å; L55-Q57 PolarHBondContact O-N 3.22Å; L55-L58 PolarHBondContact O-N 3.18Å; L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.03Å; L55-E59 PolarHBondContact O-N 2.91Å
56R84.9Confident89.6Confident80 Ų8084.9 Ų84.930%0.30242%0.422SS..Hα-helixtrans-60.3-41.5174.9-73.1-178.6-158.7173.411.5113.1D52 A53 E59 E60 F97 S99 D100D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.31Å; A53-R56 PolarHBondContact O-N 3.01Å; R56-E59 PolarHBondContact O-N 3.09Å; R56-E60 VanDerWaalsContact O-CB 3.23Å; R56-E60 WeakPolarHBondContact O-CB 3.34Å; R56-E60 PolarHBondContact O-N 2.77Å; R56-F97 VanDerWaalsContact NH2-CD1 3.31Å; R56-S99 PolarHBondContact NH1-OG 2.7Å; R56-S99 PolarHBondContact NH2-OG 2.9Å; R56-D100 IonicContact NH1-OD1 2.81Å; R56-D100 PolarHBondContact NH1-OD1 3.02Å; R56-D100 IonicContact NH1-OD2 2.94Å; R56-D100 PolarHBondContact NH1-OD2 3.34Å
57Q89.3Confident89.6Confident142 Ų14290.2 Ų90.266%0.66444%0.435SS*.Hα-helixtrans-65.9-38.6176.8-74.5-173.2-42.700113A53 R54 L55 E59 G61A53-Q57 PolarHBondContact O-N 2.81Å; A53-Q57 VanDerWaalsContact O-N 3.1Å; R54-Q57 PolarHBondContact O-N 3.22Å; L55-Q57 PolarHBondContact O-N 3.22Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-G61 PolarHBondContact O-N 2.93Å; Q57-G61 VanDerWaalsContact O-N 3.08Å
58L89.6Confident89.6Confident110 Ų11093.4 Ų93.458%0.57646%0.46SS*.Hα-helixtrans-66.1-40174.5-68.2172000111.4R54 L55 G61 R62R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.42Å; R54-L58 PolarHBondContact O-N 3.38Å; R54-L58 VanDerWaalsContact O-N 3.12Å; L55-L58 PolarHBondContact O-N 3.18Å; L58-G61 CarbonylContact O-C 3.35Å; L58-G61 PolarHBondContact O-N 3.09Å; L58-R62 PolarHBondContact O-N 2.99Å
59E87.3Confident89.4Confident77 Ų7794.7 Ų94.736%0.3647%0.472SS..Hα-helixtrans-71.4-41.6179.7-178.359-169.900112.6L55 R56 Q57 G61 R62 V63L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.03Å; L55-E59 PolarHBondContact O-N 2.91Å; R56-E59 PolarHBondContact O-N 3.09Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.32Å; E59-R62 CarbonylContact O-C 3.55Å; E59-R62 WeakPolarHBondContact O-CA 3.4Å; E59-R62 WeakPolarHBondContact O-CB 3.14Å; E59-R62 PolarHBondContact O-N 2.87Å; E59-R62 IonicContact OE1-CZ 2.72Å; E59-R62 IonicContact OE1-NE 3.47Å; E59-R62 PolarHBondContact OE1-NE 3.32Å; E59-R62 IonicContact OE1-NH2 3.37Å; E59-R62 PolarHBondContact OE1-NH2 2.84Å; E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.18Å; E59-R62 PolarHBondContact OE2-NE 2.94Å; E59-R62 IonicContact OE2-NH2 3.79Å; E59-V63 WeakPolarHBondContact O-CB 3.23Å; E59-V63 WeakPolarHBondContact O-CG2 3.36Å; E59-V63 PolarHBondContact O-N 2.82Å
60E87.2Confident89.4Confident140 Ų14095.4 Ų95.465%0.65448%0.476SS*.Hα-helixtrans-58.9-41.2170.5-177.4173.8-154.800110.9R56 R62 V63 S64R56-E60 VanDerWaalsContact O-CB 3.23Å; R56-E60 WeakPolarHBondContact O-CB 3.34Å; R56-E60 PolarHBondContact O-N 2.77Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 2.9Å; E60-V63 PolarHBondContact O-N 3.35Å; E60-S64 WeakPolarHBondContact O-CB 3.28Å; E60-S64 PolarHBondContact O-N 2.88Å
61G89.9Confident89.2Confident32 Ų3293.3 Ų93.333%0.3348%0.484SS..Hα-helixtrans-65.8-25.2171.500000114.7Q57 L58 E59 K65Q57-G61 PolarHBondContact O-N 2.93Å; Q57-G61 VanDerWaalsContact O-N 3.08Å; L58-G61 CarbonylContact O-C 3.35Å; L58-G61 PolarHBondContact O-N 3.09Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.32Å; G61-K65 WeakPolarHBondContact O-CD 3.39Å; G61-K65 VanDerWaalsContact O-CG 3.3Å; G61-K65 WeakPolarHBondContact O-CG 3.25Å
62R93.3Very high89.2Confident99 Ų9989 Ų8937%0.37447%0.473SS..Hα-helixtrans-78.7-49173-170.6-171.17384.68.7110.9L58 E59 E60 S64 K65 L66 L79L58-R62 PolarHBondContact O-N 2.99Å; E59-R62 CarbonylContact O-C 3.55Å; E59-R62 WeakPolarHBondContact O-CA 3.4Å; E59-R62 WeakPolarHBondContact O-CB 3.14Å; E59-R62 PolarHBondContact O-N 2.87Å; E59-R62 IonicContact OE1-CZ 2.72Å; E59-R62 IonicContact OE1-NE 3.47Å; E59-R62 PolarHBondContact OE1-NE 3.32Å; E59-R62 IonicContact OE1-NH2 3.37Å; E59-R62 PolarHBondContact OE1-NH2 2.84Å; E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.18Å; E59-R62 PolarHBondContact OE2-NE 2.94Å; E59-R62 IonicContact OE2-NH2 3.79Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 2.9Å; R62-S64 PolarHBondContact O-N 2.77Å; R62-K65 PolarHBondContact O-N 2.91Å; R62-L66 VanDerWaalsContact NH1-CD1 3.26Å; R62-L66 PolarHBondContact O-N 3.31Å; R62-L79 VanDerWaalsContact CZ-O 3.32Å; R62-L79 PolarHBondContact NH1-O 3.2Å; R62-L79 PolarHBondContact NH2-O 2.9Å
63V88.9Confident89Confident20 Ų2091.2 Ų91.212%0.12149%0.49CS..Hα-helixtrans-60.7-42.5177.91680000111.3E59 E60 K65 L66 R67 T80E59-V63 WeakPolarHBondContact O-CB 3.23Å; E59-V63 WeakPolarHBondContact O-CG2 3.36Å; E59-V63 PolarHBondContact O-N 2.82Å; E60-V63 PolarHBondContact O-N 3.35Å; V63-K65 PolarHBondContact O-N 2.86Å; V63-L66 PolarHBondContact O-N 3.49Å; V63-R67 HydrophobicContact CG1-CG 4.42Å; V63-R67 WeakPolarHBondContact O-CB 3.5Å; V63-R67 WeakPolarHBondContact O-CG 3.39Å; V63-R67 PolarHBondContact O-N 3.24Å; V63-T80 HydrophobicContact CB-CG2 4.47Å; V63-T80 HydrophobicContact CG1-CG2 3.9Å; V63-T80 HydrophobicContact CG2-CG2 4.4Å
64S91.1Very high88.9Confident79 Ų7991.2 Ų91.255%0.55249%0.494SS*.Hα-helixtrans-60.3-42.2176-177.90000112.3E60 R62 A68E60-S64 WeakPolarHBondContact O-CB 3.28Å; E60-S64 PolarHBondContact O-N 2.88Å; R62-S64 PolarHBondContact O-N 2.77Å; S64-A68 PolarHBondContact O-N 3.47Å
65K91.5Very high88.4Confident155 Ų15588.1 Ų88.167%0.67449%0.487SS*.Hα-helixtrans-65.2-44174.2-70.2171.6-168.2179.80112.1G61 R62 V63 R67 A68 S69G61-K65 WeakPolarHBondContact O-CD 3.39Å; G61-K65 VanDerWaalsContact O-CG 3.3Å; G61-K65 WeakPolarHBondContact O-CG 3.25Å; R62-K65 PolarHBondContact O-N 2.91Å; V63-K65 PolarHBondContact O-N 2.86Å; K65-R67 PolarHBondContact O-N 2.9Å; K65-A68 CarbonylContact O-C 3.6Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-A68 VanDerWaalsContact O-N 3.08Å; K65-S69 WeakPolarHBondContact O-CB 3.46Å; K65-S69 PolarHBondContact O-N 2.92Å; K65-S69 PolarHBondContact O-OG 3.23Å
66L90Very high88.3Confident28 Ų2884.5 Ų84.515%0.14747%0.469CS..Hα-helixtrans-61.5-43.6177.6-75.3171.7000112.5R62 V63 A68 S69 V70 L76 L79 T80R62-L66 VanDerWaalsContact NH1-CD1 3.26Å; R62-L66 PolarHBondContact O-N 3.31Å; V63-L66 PolarHBondContact O-N 3.49Å; L66-A68 PolarHBondContact O-N 2.83Å; L66-S69 PolarHBondContact O-N 3.39Å; L66-V70 HydrophobicContact CD2-CG2 3.9Å; L66-V70 PolarHBondContact O-N 2.87Å; L66-L76 HydrophobicContact CB-CD1 4.2Å; L66-L79 HydrophobicContact CD1-CB 3.93Å; L66-L79 WeakPolarHBondContact CD1-O 3.2Å; L66-L79 HydrophobicContact CD2-CB 4.38Å; L66-L79 HydrophobicContact CD2-CD1 4.44Å; L66-T80 HydrophobicContact CB-CG2 4.17Å; L66-T80 HydrophobicContact CD1-CG2 4.4Å
67R90Very high88.3Confident142 Ų14284.8 Ų84.854%0.53647%0.472SS..Hα-helixtrans-63.8-16.3175-71.6178.5176.7-179.82.1113.4V63 K65 L76 T80 D82V63-R67 HydrophobicContact CG1-CG 4.42Å; V63-R67 WeakPolarHBondContact O-CB 3.5Å; V63-R67 WeakPolarHBondContact O-CG 3.39Å; V63-R67 PolarHBondContact O-N 3.24Å; K65-R67 PolarHBondContact O-N 2.9Å; R67-L76 HydrophobicContact CB-CD1 4.44Å; R67-L76 HydrophobicContact CG-CD1 3.91Å; R67-L76 HydrophobicContact CG-CD2 4.34Å; R67-T80 HydrophobicContact CG-CG2 4.18Å; R67-D82 IonicContact CZ-OD2 2.71Å; R67-D82 IonicContact NE-OD2 2.76Å; R67-D82 IonicContact NH2-OD1 3.33Å; R67-D82 PolarHBondContact NH2-OD1 2.6Å; R67-D82 IonicContact NH2-OD2 2.7Å; R67-D82 PolarHBondContact NH2-OD2 3.29Å
68A90Very high88Confident91 Ų9183.3 Ų83.375%0.75247%0.468SS*.Hα-helixtrans-98.7-1317200000114.2S64 K65 L66S64-A68 PolarHBondContact O-N 3.47Å; K65-A68 CarbonylContact O-C 3.6Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-A68 VanDerWaalsContact O-N 3.08Å; L66-A68 PolarHBondContact O-N 2.83Å
69S89.7Confident87.7Confident90 Ų9081.7 Ų81.763%0.62946%0.459SS*.Hα-helixtrans-118.8-15.4-173.275.10000115.6K65 L66K65-S69 WeakPolarHBondContact O-CB 3.46Å; K65-S69 PolarHBondContact O-N 2.92Å; K65-S69 PolarHBondContact O-OG 3.23Å; L66-S69 PolarHBondContact O-N 3.39Å
70V90.4Very high87.7Confident31 Ų3178.2 Ų78.219%0.18844%0.443CS..  trans-113.2114.9-178.2-175.70000109.5L66 Q75 L76 L79L66-V70 HydrophobicContact CD2-CG2 3.9Å; L66-V70 PolarHBondContact O-N 2.87Å; V70-Q75 HydrophobicContact CG1-CB 4.26Å; V70-L76 HydrophobicContact CB-CB 4.31Å; V70-L76 HydrophobicContact CB-CD1 4.12Å; V70-L76 HydrophobicContact CG1-CB 4.01Å; V70-L79 HydrophobicContact CG2-CD1 4.12Å
71A86.8Confident87.5Confident105 Ų10572.6 Ų72.687%0.86842%0.423SS*.  trans-86.7-22.7-177.800000114.2P73A71-P73 WeakPolarHBondContact O-CD 3.29Å
72D90.9Very high87.2Confident66 Ų6672.8 Ų72.835%0.35342%0.416SS..  trans-77.2118.3176168.829.2000110.8G74 Q75 L76D72-G74 PolarHBondContact O-N 3.09Å; D72-G74 PolarHBondContact OD1-N 3.48Å; D72-Q75 HydrophobicContact CB-CB 4.37Å; D72-Q75 VanDerWaalsContact OD2-CB 3.26Å; D72-Q75 WeakPolarHBondContact OD2-CB 3.32Å; D72-Q75 VanDerWaalsContact OD2-CG 3.22Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.39Å; D72-Q75 PolarHBondContact OD2-N 2.77Å; D72-Q75 PolarHBondContact OD2-NE2 2.83Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 PolarHBondContact O-N 2.92Å
73P83.4Confident86.7Confident99 Ų9974.5 Ų74.564%0.64342%0.423SS*.Hα-helixtrans-60.9-30.4177.4-22.534.5000113.7A71 K77A71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-K77 VanDerWaalsContact O-CB 3.24Å; P73-K77 WeakPolarHBondContact O-CB 3.42Å; P73-K77 PolarHBondContact O-N 3.04Å
74G82.8Confident86.1Confident38 Ų3878.8 Ų78.839%0.39244%0.44SS..Hα-helixtrans-67.6-59.9-179.400000111.8D72 L76 K77 I78D72-G74 PolarHBondContact O-N 3.09Å; D72-G74 PolarHBondContact OD1-N 3.48Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.69Å; G74-K77 PolarHBondContact O-N 3.3Å; G74-I78 PolarHBondContact O-N 2.95Å
75Q80.1Confident85.2Confident115 Ų11580.9 Ų80.954%0.53744%0.441SS..Hα-helixtrans-61.3-37.9174.3-77.3168.985.300112.7V70 D72 K77 I78 L79V70-Q75 HydrophobicContact CG1-CB 4.26Å; D72-Q75 HydrophobicContact CB-CB 4.37Å; D72-Q75 VanDerWaalsContact OD2-CB 3.26Å; D72-Q75 WeakPolarHBondContact OD2-CB 3.32Å; D72-Q75 VanDerWaalsContact OD2-CG 3.22Å; D72-Q75 WeakPolarHBondContact OD2-CG 3.39Å; D72-Q75 PolarHBondContact OD2-N 2.77Å; D72-Q75 PolarHBondContact OD2-NE2 2.83Å; Q75-K77 PolarHBondContact O-N 3.02Å; Q75-I78 PolarHBondContact O-N 3.24Å; Q75-L79 HydrophobicContact CB-CD1 4.36Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.94Å
76L86.9Confident84.4Confident36 Ų3677.5 Ų77.519%0.18843%0.428CS..Hα-helixtrans-57.2-50.9176.4178.163.2000110.6L66 R67 V70 D72 G74 I78 L79 T80L66-L76 HydrophobicContact CB-CD1 4.2Å; R67-L76 HydrophobicContact CB-CD1 4.44Å; R67-L76 HydrophobicContact CG-CD1 3.91Å; R67-L76 HydrophobicContact CG-CD2 4.34Å; V70-L76 HydrophobicContact CB-CB 4.31Å; V70-L76 HydrophobicContact CB-CD1 4.12Å; V70-L76 HydrophobicContact CG1-CB 4.01Å; D72-L76 WeakPolarHBondContact O-CB 3.47Å; D72-L76 PolarHBondContact O-N 2.92Å; G74-L76 VanDerWaalsContact C-N 3.32Å; G74-L76 PolarHBondContact O-N 2.69Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.36Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-T80 HydrophobicContact CD1-CG2 3.65Å; L76-T80 HydrophobicContact CG-CG2 4.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.33Å; L76-T80 PolarHBondContact O-N 2.93Å; L76-T80 PolarHBondContact O-OG1 2.88Å
77K85.4Confident83.7Confident85 Ų8577.8 Ų77.837%0.3743%0.434SS..Hα-helixtrans-60.3-32.5-180-173.8179.3-178.91740113.2P73 G74 Q75 D82 W83 E86P73-K77 VanDerWaalsContact O-CB 3.24Å; P73-K77 WeakPolarHBondContact O-CB 3.42Å; P73-K77 PolarHBondContact O-N 3.04Å; G74-K77 PolarHBondContact O-N 3.3Å; Q75-K77 PolarHBondContact O-N 3.02Å; K77-D82 HydrophobicContact CG-CB 4.25Å; K77-D82 PolarHBondContact O-N 3.07Å; K77-W83 HydrophobicContact CG-CB 4.12Å; K77-W83 PolarHBondContact O-N 3.21Å; K77-E86 WeakPolarHBondContact CE-OE2 3.47Å; K77-E86 IonicContact NZ-OE1 2.66Å; K77-E86 IonicContact NZ-OE2 3.66Å; K77-E86 PolarHBondContact NZ-OE2 2.98Å
78I83.3Confident82.7Confident112 Ų11276 Ų7657%0.57443%0.427SS*.Hα-helixtrans-71.8-52.7172.8-68.1162.6000110.6G74 Q75 L76 T80 G81G74-I78 PolarHBondContact O-N 2.95Å; Q75-I78 PolarHBondContact O-N 3.24Å; L76-I78 VanDerWaalsContact C-N 3.26Å; L76-I78 PolarHBondContact O-N 3.36Å; I78-T80 PolarHBondContact O-N 2.85Å; I78-G81 PolarHBondContact O-N 2.76Å; I78-G81 VanDerWaalsContact O-N 3.11Å
79L82.1Confident81.7Confident76 Ų7675.3 Ų75.340%0.39842%0.417SS..Hα-helixtrans-69.2-28.5-172.5-69.6169.1000113.6R62 L66 V70 Q75 L76R62-L79 VanDerWaalsContact CZ-O 3.32Å; R62-L79 PolarHBondContact NH1-O 3.2Å; R62-L79 PolarHBondContact NH2-O 2.9Å; L66-L79 HydrophobicContact CD1-CB 3.93Å; L66-L79 WeakPolarHBondContact CD1-O 3.2Å; L66-L79 HydrophobicContact CD2-CB 4.38Å; L66-L79 HydrophobicContact CD2-CD1 4.44Å; V70-L79 HydrophobicContact CG2-CD1 4.12Å; Q75-L79 HydrophobicContact CB-CD1 4.36Å; Q75-L79 WeakPolarHBondContact O-CB 3.38Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.94Å; L76-L79 PolarHBondContact O-N 3.28Å
80T87.3Confident80.9Confident4 Ų478.4 Ų78.43%0.02542%0.421CS..THydrogen-bonded Turntrans-84.5-13.417358.70000113.6V63 L66 R67 L76 I78 D82V63-T80 HydrophobicContact CB-CG2 4.47Å; V63-T80 HydrophobicContact CG1-CG2 3.9Å; V63-T80 HydrophobicContact CG2-CG2 4.4Å; L66-T80 HydrophobicContact CB-CG2 4.17Å; L66-T80 HydrophobicContact CD1-CG2 4.4Å; R67-T80 HydrophobicContact CG-CG2 4.18Å; L76-T80 HydrophobicContact CD1-CG2 3.65Å; L76-T80 HydrophobicContact CG-CG2 4.28Å; L76-T80 WeakPolarHBondContact O-CG2 3.33Å; L76-T80 PolarHBondContact O-N 2.93Å; L76-T80 PolarHBondContact O-OG1 2.88Å; I78-T80 PolarHBondContact O-N 2.85Å; T80-D82 VanDerWaalsContact CB-OD2 3.29Å; T80-D82 WeakPolarHBondContact CB-OD2 3.19Å; T80-D82 PolarHBondContact O-N 3.22Å; T80-D82 WeakPolarHBondContact OG1-CB 3.42Å; T80-D82 PolarHBondContact OG1-N 3.22Å; T80-D82 PolarHBondContact OG1-OD2 3.21Å
81G84.4Confident79.9Confident22 Ų2286.6 Ų86.623%0.22745%0.449CS..  trans70.413.8-170.900000114.3I78 W83 F84 Q85I78-G81 PolarHBondContact O-N 2.76Å; I78-G81 VanDerWaalsContact O-N 3.11Å; G81-W83 PolarHBondContact O-N 3.32Å; G81-F84 WeakPolarHBondContact O-CB 3.45Å; G81-F84 PolarHBondContact O-N 2.93Å; G81-Q85 PolarHBondContact O-N 3.46Å
82D82.6Confident78.7Confident35 Ų3587.4 Ų87.419%0.18743%0.434CS..Hα-helixtrans-60.5-30179.9-74.7-44.8000112.1R67 K77 T80 F84 Q85 E86R67-D82 IonicContact CZ-OD2 2.71Å; R67-D82 IonicContact NE-OD2 2.76Å; R67-D82 IonicContact NH2-OD1 3.33Å; R67-D82 PolarHBondContact NH2-OD1 2.6Å; R67-D82 IonicContact NH2-OD2 2.7Å; R67-D82 PolarHBondContact NH2-OD2 3.29Å; K77-D82 HydrophobicContact CG-CB 4.25Å; K77-D82 PolarHBondContact O-N 3.07Å; T80-D82 VanDerWaalsContact CB-OD2 3.29Å; T80-D82 WeakPolarHBondContact CB-OD2 3.19Å; T80-D82 PolarHBondContact O-N 3.22Å; T80-D82 WeakPolarHBondContact OG1-CB 3.42Å; T80-D82 PolarHBondContact OG1-N 3.22Å; T80-D82 PolarHBondContact OG1-OD2 3.21Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.18Å; D82-Q85 PolarHBondContact O-N 3.26Å; D82-E86 PolarHBondContact O-N 2.85Å; D82-E86 VanDerWaalsContact O-N 3.12Å
83W82.9Confident77.3Confident136 Ų13693.2 Ų93.252%0.51546%0.459SS..Hα-helixtrans-57.1-36.2171.874.1-88.2000113.4K77 G81 A87K77-W83 HydrophobicContact CG-CB 4.12Å; K77-W83 PolarHBondContact O-N 3.21Å; G81-W83 PolarHBondContact O-N 3.32Å; W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.49Å; W83-A87 PolarHBondContact O-N 3.43Å
84F76.9Confident76.1Confident109 Ų10995 Ų9548%0.47846%0.463SS..Hα-helixtrans-75-31.4-179.2175.6-100.8000111.4G81 D82 R88G81-F84 WeakPolarHBondContact O-CB 3.45Å; G81-F84 PolarHBondContact O-N 2.93Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 3.18Å; F84-R88 HydrophobicContact CE1-CG 4.4Å; F84-R88 HydrophobicContact CZ-CG 4.33Å; F84-R88 WeakPolarHBondContact O-CB 3.33Å; F84-R88 VanDerWaalsContact O-CG 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.3Å; F84-R88 PolarHBondContact O-N 3.47Å; F84-R88 VanDerWaalsContact O-N 3.1Å
85Q71.2Confident74.9Confident123 Ų12398.1 Ų98.158%0.57549%0.485SS*.Hα-helixtrans-68.7-42.8174.5-56.9-169.540.800111G81 D82 R88 S89G81-Q85 PolarHBondContact O-N 3.46Å; D82-Q85 PolarHBondContact O-N 3.26Å; Q85-R88 PolarHBondContact O-N 3.2Å; Q85-S89 PolarHBondContact O-N 2.99Å
86E75.9Confident74Confident85 Ų85100.1 Ų100.140%0.39749%0.494SS..Hα-helixtrans-65.9-46.2175.2-174.6-178.4-156.700112.4K77 D82 R88 S89 Q90K77-E86 WeakPolarHBondContact CE-OE2 3.47Å; K77-E86 IonicContact NZ-OE1 2.66Å; K77-E86 IonicContact NZ-OE2 3.66Å; K77-E86 PolarHBondContact NZ-OE2 2.98Å; D82-E86 PolarHBondContact O-N 2.85Å; D82-E86 VanDerWaalsContact O-N 3.12Å; E86-R88 PolarHBondContact O-N 3.06Å; E86-S89 PolarHBondContact O-N 2.93Å; E86-S89 PolarHBondContact O-OG 2.83Å; E86-S89 VanDerWaalsContact O-OG 3.05Å; E86-Q90 WeakPolarHBondContact O-CG 3.26Å; E86-Q90 PolarHBondContact O-N 3.15Å
87A75.9Confident73.1Confident34 Ų34103.1 Ų103.128%0.28151%0.506SS..Hα-helixtrans-62.1-23.3175.100000113.1W83 R91W83-A87 VanDerWaalsContact O-CB 3.3Å; W83-A87 WeakPolarHBondContact O-CB 3.49Å; W83-A87 PolarHBondContact O-N 3.43Å; A87-R91 WeakPolarHBondContact O-CG 3.22Å
88R67.7Low72.6Confident103 Ų103101.3 Ų101.339%0.38951%0.511SS..Hα-helixtrans-83.6-41.8172.8-82.1-173.459.9146.42.8113.5F84 Q85 E86 Q90 R91 H92F84-R88 HydrophobicContact CE1-CG 4.4Å; F84-R88 HydrophobicContact CZ-CG 4.33Å; F84-R88 WeakPolarHBondContact O-CB 3.33Å; F84-R88 VanDerWaalsContact O-CG 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.3Å; F84-R88 PolarHBondContact O-N 3.47Å; F84-R88 VanDerWaalsContact O-N 3.1Å; Q85-R88 PolarHBondContact O-N 3.2Å; E86-R88 PolarHBondContact O-N 3.06Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 2.91Å; R88-R91 PolarHBondContact O-N 3.23Å; R88-H92 PolarHBondContact O-N 2.78Å
89S69.8Low72.4Confident77 Ų7796.6 Ų96.654%0.53849%0.488SS..Hα-helixtrans-64.9-34.1-179.362.50000112Q85 E86 R91Q85-S89 PolarHBondContact O-N 2.99Å; E86-S89 PolarHBondContact O-N 2.93Å; E86-S89 PolarHBondContact O-OG 2.83Å; E86-S89 VanDerWaalsContact O-OG 3.05Å; S89-R91 PolarHBondContact O-N 3.07Å
90Q73.1Confident72.3Confident155 Ų15595.6 Ų95.672%0.72448%0.484SS*.THydrogen-bonded Turntrans-64.6-22.6172-67.3-178.815.100113.9E86 R88E86-Q90 WeakPolarHBondContact O-CG 3.26Å; E86-Q90 PolarHBondContact O-N 3.15Å; R88-Q90 VanDerWaalsContact C-N 3.28Å; R88-Q90 PolarHBondContact O-N 2.91Å
91R68.1Low72.2Confident204 Ų20498.2 Ų98.277%0.7750%0.497SS*.THydrogen-bonded Turntrans-98.9-22.8-179.1-65.6-179.2-173.2-140.20.9113.7A87 R88 S89A87-R91 WeakPolarHBondContact O-CG 3.22Å; R88-R91 PolarHBondContact O-N 3.23Å; S89-R91 PolarHBondContact O-N 3.07Å
92H62.5Low72.1Confident121 Ų12198.6 Ų98.656%0.5650%0.495SS*.  trans-140.1109.3-176.5-58.5-68.9000110.9R88 N94R88-H92 PolarHBondContact O-N 2.78Å; H92-N94 PolarHBondContact O-N 2.99Å; H92-N94 VanDerWaalsContact O-N 3.12Å
93H60.1Low72.2Confident188 Ų188100 Ų10087%0.8750%0.498SS*.  trans-68.7-6.6179.2-155.8-59.9000113.7
94N59.3Low72.1Confident137 Ų13795.7 Ų95.773%0.73349%0.491SS*.  trans-88.8110.8179-72.94.8000111H92 H96H92-N94 PolarHBondContact O-N 2.99Å; H92-N94 VanDerWaalsContact O-N 3.12Å; N94-H96 PolarHBondContact O-N 3.26Å; N94-H96 VanDerWaalsContact O-N 3.12Å
95A56.7Low72.5Confident103 Ų10390.9 Ų90.985%0.85147%0.471SS*.  trans-72.11.5-177.500000115.4
96H61.4Low72.9Confident157 Ų15786.7 Ų86.773%0.72745%0.451SS*.  trans-98127.4-176-62.8-45.9000112.3N94N94-H96 PolarHBondContact O-N 3.26Å; N94-H96 VanDerWaalsContact O-N 3.12Å
97F68.7Low73Confident99 Ų9991.5 Ų91.543%0.43447%0.466SS..  trans-69.6139.6173.1-137.8-87.3000109.9R56 S99 D100 L101R56-F97 VanDerWaalsContact NH2-CD1 3.31Å; F97-S99 WeakPolarHBondContact CD1-OG 3.16Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å; F97-D100 WeakPolarHBondContact CB-OD2 3.34Å; F97-D100 WeakPolarHBondContact O-CA 3.43Å; F97-D100 WeakPolarHBondContact O-CB 3.27Å; F97-D100 PolarHBondContact O-N 2.91Å; F97-L101 PolarHBondContact O-N 2.62Å
98G75.1Confident72.7Confident47 Ų4797.1 Ų97.149%0.48548%0.48SS..Hα-helixtrans-56.8-35.4-177.400000113.7D100 L101 V102G98-D100 PolarHBondContact O-N 2.59Å; G98-L101 PolarHBondContact O-N 3.12Å; G98-V102 WeakPolarHBondContact O-CG2 3.32Å; G98-V102 PolarHBondContact O-N 2.86Å
99S79.3Confident72.4Confident13 Ų1395.8 Ų95.89%0.09148%0.477CS..Hα-helixtrans-55.5-33.517258.10000113.7L49 R56 F97 R103L49-S99 WeakPolarHBondContact CD2-O 3.4Å; R56-S99 PolarHBondContact NH1-OG 2.7Å; R56-S99 PolarHBondContact NH2-OG 2.9Å; F97-S99 WeakPolarHBondContact CD1-OG 3.16Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-S99 VanDerWaalsContact O-N 3.16Å; S99-R103 WeakPolarHBondContact O-CB 3.17Å; S99-R103 PolarHBondContact O-N 2.92Å
100D80.3Confident71.7Confident56 Ų56101.4 Ų101.430%0.29949%0.492SS..Hα-helixtrans-86.3-30.8-170.5-51.4-22.2000109.3R56 F97 G98 R103 A104R56-D100 IonicContact NH1-OD1 2.81Å; R56-D100 PolarHBondContact NH1-OD1 3.02Å; R56-D100 IonicContact NH1-OD2 2.94Å; R56-D100 PolarHBondContact NH1-OD2 3.34Å; F97-D100 WeakPolarHBondContact CB-OD2 3.34Å; F97-D100 WeakPolarHBondContact O-CA 3.43Å; F97-D100 WeakPolarHBondContact O-CB 3.27Å; F97-D100 PolarHBondContact O-N 2.91Å; G98-D100 PolarHBondContact O-N 2.59Å; D100-R103 PolarHBondContact O-N 3.34Å; D100-R103 IonicContact OD1-CZ 3.66Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 3Å; D100-R103 IonicContact OD1-NH2 3.96Å; D100-A104 WeakPolarHBondContact O-CB 3.36Å; D100-A104 PolarHBondContact O-N 2.79Å
101L83.3Confident70.6Confident58 Ų5898.8 Ų98.830%0.30449%0.491SS..Hα-helixtrans-65.8-44.2166.1-171.564.5000112.4G30 L31 L32 F97 G98 A104 S105G30-L101 WeakPolarHBondContact O-CD1 3.2Å; L31-L101 HydrophobicContact CD2-CD1 4.24Å; L32-L101 HydrophobicContact CD1-CD2 4.29Å; L32-L101 HydrophobicContact CD1-CG 4.45Å; L32-L101 HydrophobicContact CG-CD2 4Å; L32-L101 HydrophobicContact CG-CG 4.28Å; F97-L101 PolarHBondContact O-N 2.62Å; G98-L101 PolarHBondContact O-N 3.12Å; L101-A104 PolarHBondContact O-N 3.41Å; L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 2.69Å; L101-S105 PolarHBondContact O-OG 2.92Å
102V84.1Confident69.6Low31 Ų3194.9 Ų94.919%0.18849%0.489CS..Hα-helixtrans-62.3-45.7172.8178.40000110.1L32 L34 I45 L49 G98 A104 S105 M106L32-V102 HydrophobicContact CD1-CG2 3.78Å; L34-V102 HydrophobicContact CD1-CG1 4.31Å; I45-V102 HydrophobicContact CG2-CG1 3.85Å; L49-V102 HydrophobicContact CD1-CG1 4.01Å; G98-V102 WeakPolarHBondContact O-CG2 3.32Å; G98-V102 PolarHBondContact O-N 2.86Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.31Å; V102-S105 PolarHBondContact O-N 2.97Å; V102-S105 VanDerWaalsContact O-N 3.15Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 3.97Å; V102-M106 WeakPolarHBondContact O-CG 3.31Å; V102-M106 PolarHBondContact O-N 2.61Å
103R83.5Confident68.6Low65 Ų65100.8 Ų100.825%0.24551%0.507CS..Hα-helixtrans-61.3-33.8177.2-168.6-175.9-66.9121.90.5112.8L49 S99 D100 R107L49-R103 HydrophobicContact CD1-CB 4.19Å; L49-R103 PolarHBondContact O-NH2 3.38Å; S99-R103 WeakPolarHBondContact O-CB 3.17Å; S99-R103 PolarHBondContact O-N 2.92Å; D100-R103 PolarHBondContact O-N 3.34Å; D100-R103 IonicContact OD1-CZ 3.66Å; D100-R103 IonicContact OD1-NH1 2.7Å; D100-R103 PolarHBondContact OD1-NH1 3Å; D100-R103 IonicContact OD1-NH2 3.96Å; R103-R107 WeakPolarHBondContact O-CD 3.3Å; R103-R107 VanDerWaalsContact O-CG 3.26Å; R103-R107 WeakPolarHBondContact O-CG 3.21Å; R103-R107 PolarHBondContact O-N 3.05Å
104A81.5Confident67.4Low44 Ų4495.1 Ų95.136%0.36450%0.499SS..Hα-helixtrans-70.6-45.4172.600000111.8L31 D100 L101 V102 R107 R108L31-A104 HydrophobicContact CD2-CB 3.99Å; D100-A104 WeakPolarHBondContact O-CB 3.36Å; D100-A104 PolarHBondContact O-N 2.79Å; L101-A104 PolarHBondContact O-N 3.41Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.31Å; A104-R107 PolarHBondContact O-N 2.73Å; A104-R108 PolarHBondContact O-N 3.4Å
105S84.4Confident66.1Low8 Ų896.4 Ų96.46%0.05651%0.506CS..Hα-helixtrans-62.5-45.6-179.4-53.40000111.8L31 L32 L101 V102 R107 R108L31-S105 WeakPolarHBondContact CD2-OG 3.42Å; L32-S105 PolarHBondContact N-OG 2.86Å; L32-S105 WeakPolarHBondContact O-CB 3.26Å; L32-S105 PolarHBondContact O-OG 2.87Å; L101-S105 WeakPolarHBondContact O-CB 3.35Å; L101-S105 PolarHBondContact O-N 2.69Å; L101-S105 PolarHBondContact O-OG 2.92Å; V102-S105 PolarHBondContact O-N 2.97Å; V102-S105 VanDerWaalsContact O-N 3.15Å; S105-R107 VanDerWaalsContact C-N 3.32Å; S105-R107 PolarHBondContact O-N 3.06Å; S105-R108 WeakPolarHBondContact O-CB 3.15Å; S105-R108 PolarHBondContact O-N 2.84Å; S105-R108 VanDerWaalsContact O-N 3.12Å
106M79.9Confident65.1Low35 Ų35100.7 Ų100.717%0.17251%0.508CS..Hα-helixtrans-61.5-35.9176.5-69.4178.98000113.3L34 Q42 I45 A46 L49 V102 R108 K109L34-M106 HydrophobicContact CD1-CG 3.74Å; Q42-M106 HydrophobicContact CB-CE 4.23Å; Q42-M106 WeakPolarHBondContact O-CE 3.4Å; I45-M106 HydrophobicContact CB-CE 4.31Å; I45-M106 HydrophobicContact CB-SD 4.37Å; I45-M106 HydrophobicContact CG2-CE 4.2Å; I45-M106 HydrophobicContact CG2-SD 3.62Å; A46-M106 HydrophobicContact CB-CE 4.12Å; L49-M106 HydrophobicContact CD1-SD 3.67Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 3.97Å; V102-M106 WeakPolarHBondContact O-CG 3.31Å; V102-M106 PolarHBondContact O-N 2.61Å; M106-R108 PolarHBondContact O-N 3.28Å; M106-K109 PolarHBondContact O-N 3.04Å
107R79.1Confident63.7Low187 Ų18797.4 Ų97.471%0.70651%0.509SS*.Hα-helixtrans-64.1-26.4177.1-75.4169.6-177-93.1-0.1112.6R103 A104 S105R103-R107 WeakPolarHBondContact O-CD 3.3Å; R103-R107 VanDerWaalsContact O-CG 3.26Å; R103-R107 WeakPolarHBondContact O-CG 3.21Å; R103-R107 PolarHBondContact O-N 3.05Å; A104-R107 PolarHBondContact O-N 2.73Å; S105-R107 VanDerWaalsContact C-N 3.32Å; S105-R107 PolarHBondContact O-N 3.06Å
108R69.1Low62.8Low151 Ų15199 Ų9957%0.5753%0.528SS*.Hα-helixtrans-73.1-42.3-179.7-148.6-179.6-167.9-167.44.3112.6A104 S105 M106 K110 S111A104-R108 PolarHBondContact O-N 3.4Å; S105-R108 WeakPolarHBondContact O-CB 3.15Å; S105-R108 PolarHBondContact O-N 2.84Å; S105-R108 VanDerWaalsContact O-N 3.12Å; M106-R108 PolarHBondContact O-N 3.28Å; R108-K110 PolarHBondContact O-N 2.8Å; R108-K110 VanDerWaalsContact O-N 3.13Å; R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 3.44Å; R108-S111 VanDerWaalsContact O-N 3.11Å
109K60.8Low60.5Low75 Ų75100.5 Ų100.533%0.32655%0.545SS..Hα-helixtrans-65-13.8-179.3-179.1156.2151.7-1760113.6L34 S35 L37 Q42 M106 S111L34-K109 PolarHBondContact O-NZ 2.65Å; S35-K109 PolarHBondContact O-NZ 3.18Å; L37-K109 PolarHBondContact O-NZ 2.91Å; Q42-K109 VanDerWaalsContact NE2-CD 3.34Å; M106-K109 PolarHBondContact O-N 3.04Å; K109-S111 VanDerWaalsContact C-N 3.34Å
110K55.6Low58.1Low195 Ų195108 Ų10885%0.84858%0.578SS**THydrogen-bonded Turntrans-83.6-0.6174.1-158.4134.5-172.61620114.6R108R108-K110 PolarHBondContact O-N 2.8Å; R108-K110 VanDerWaalsContact O-N 3.13Å
111S50.4Low55.6Low101 Ų101110.3 Ų110.371%0.70659%0.59SS**THydrogen-bonded Turntrans-99.6-8.9-176-165.50000115.6R108 K109R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 3.44Å; R108-S111 VanDerWaalsContact O-N 3.11Å; K109-S111 VanDerWaalsContact C-N 3.34Å
112T47.1Very low53.1Low121 Ų121116.4 Ų116.474%0.74261%0.609SS**SBendtrans-11452.7-170.555.40000112.7
113R41.5Very low50.4Low246 Ų246122.3 Ų122.393%0.92864%0.635SS**  trans-148.967.2172.2-160174.8-172.1175.72.4111.5
114G34.2Very low47.8Very low68 Ų68124.3 Ų124.370%0.70167%0.665SS**  trans-149.1134.817300000110.1
115D32.8Very low45.2Very low165 Ų165131.2 Ų131.288%0.88269%0.69SS**  trans46.5112.2171.6-62.20.3000120.8
116Q35.7Very low42.5Very low192 Ų192135.5 Ų135.590%0.89773%0.725SS**  trans-87.8164.7132.7-53.4174.344.100106.4
117A31.2Very low40Very low89 Ų89138.6 Ų138.674%0.73676%0.757SS**  cis-151.9-137.428.600000112
118P50.1Low37.6Very low131 Ų131136.4 Ų136.485%0.85176%0.764SS**  -121166.9-118.435.4-16000116.2
119G27.1Very low35.7Very low80 Ų80138.8 Ų138.883%0.82578%0.778SS**  trans-143.4154.6169.500000110.9
120H29.3Very low34Very low170 Ų170143.7 Ų143.779%0.78780%0.803SS**  trans-124.1172-165.1-156.8-101.5000112.7
121D28.1Very low32.6Very low105 Ų105144.3 Ų144.356%0.56181%0.805SS**  trans82.4103.8163.6-66.5-63.4000122.3
122R30.1Very low31.5Very low186 Ų186148 Ų14870%0.70281%0.811SS**  81.9128.2115.5-74.5171.8176.2-104.31.7124
123E27Very low30.4Very low155 Ų155151.3 Ų151.372%0.72482%0.818SS**  62.8107.5129.6-62.9169135.400120.9
124A29.2Very low29.6Very low106 Ų106143.1 Ų143.188%0.87681%0.81SS**  -166.1164.8125.700000111.8
125E26.4Very low29.5Very low189 Ų189146.1 Ų146.188%0.88382%0.817SS**  trans-96.4162-170.2-61.8-173.5105.500116.3
126A26.8Very low29.6Very low98 Ų98146.5 Ų146.581%0.8181%0.814SS**  trans48.6125.4138.100000122.4
127A27.7Very low29.3Very low101 Ų101142.9 Ų142.984%0.83581%0.807SS**  -156.4127.4118.600000111.3
128V29.9Very low29.1Very low140 Ų140148.8 Ų148.885%0.84881%0.81SS**  trans-89.7134.4164.2172.70000108.5
129K28Very low27.9Very low201 Ų201149.7 Ų149.787%0.87481%0.807SS**  trans-155104.1160.2-145.7169.9-172.7175.50112.9
130E26.4Very low27.8Very low179 Ų179152 Ų15284%0.83681%0.806SS**  trans-72.2149159.6-60.5174.1140.200109.7
131K25.1Very low28Very low208 Ų208150.3 Ų150.390%0.90480%0.801SS**  trans-156144.5136.1-143.2-166.3171.7-159.50111.9
132E27Very low27.8Very low178 Ų178152.2 Ų152.283%0.83281%0.811SS**  trans-97.9176.8-177.8-128.6-178.4157.700113.6
133E25Very low27.7Very low191 Ų191151.1 Ų151.189%0.89381%0.814SS**  trans73.6149168.1-69.8-165.9116.600120.6
134G25.5Very low27.8Very low74 Ų74148 Ų14876%0.76381%0.814SS**  trans-98.1-129.7-173.700000114.1
135P31.8Very low28Very low130 Ų130148.5 Ų148.584%0.84481%0.809SS**  cis-126.5-165.713.843.7-28.6000114.6
136E33.4Very low28.1Very low174 Ų174148.4 Ų148.481%0.81381%0.808SS**  trans-66.9160.6169.2-63.3-171131.200114.5
137P31Very low28.1Very low115 Ų115151 Ų15175%0.74780%0.804SS**  -124.3131.1119.35.515.4000111.9
138R25.4Very low28Very low214 Ų214155.7 Ų155.781%0.80880%0.8SS**  59109.387.1-66.7-172.1176.3-170.9-0.7114.3
139L26.3Very low28.1Very low149 Ų149155.3 Ų155.378%0.7879%0.792SS**  84.4118.670.5-82.2176.7000114.9
140T24.2Very low28Very low130 Ų130157.8 Ų157.880%0.79880%0.796SS**  trans-175.6116.8134.432.60000106.6
141I32.8Very low27.9Very low134 Ų134157 Ų15769%0.68779%0.793SS**  74.1105.667.6-64165.5000112.4
142D25.5Very low27.9Very low145 Ų145154.1 Ų154.178%0.77579%0.793SS**  171.4157.2125.1-99.9-30.1000109.4
143E26.4Very low27.8Very low162 Ų162155 Ų15576%0.75780%0.797SS**  cis-148.4167.4-8.7-159.4-171.3138.800107.5
144A30.4Very low27.8Very low89 Ų89150.1 Ų150.174%0.73679%0.789SS**  trans-147132.4166.900000112.2
145P32.5Very low27.7Very low117 Ų117152.4 Ų152.476%0.7679%0.793SS**  trans-107.6148.4155.2-6.327000112.7
146Q28.1Very low27.4Very low188 Ų188153.1 Ų153.188%0.87979%0.79SS**  trans-96.4-157.2174.4-57.1178.7-91.600110.9
147E28.2Very low27.5Very low152 Ų152150.8 Ų150.871%0.7179%0.79SS**  trans83.7145.1158.4-76.7-147.6171.500118.7
148R26.1Very low27.5Very low199 Ų199154.3 Ų154.375%0.75180%0.796SS**  cis-148.9153.51.8172.2176.2-66.8-147.1-4.7112.3
149L30.4Very low27.5Very low133 Ų133153.4 Ų153.470%0.69680%0.801SS**  trans-46154.8172.9-64.5150.6000115.9
150R25.9Very low27.5Very low252 Ų252150.1 Ų150.195%0.95180%0.796SS**  trans-141.2122.3130.4-73-159.5177.6-157.5-2.4111.4
151E25.6Very low27.6Very low163 Ų163149.1 Ų149.176%0.76279%0.794SS**  trans-96.3159.8159.3-65.7164119.100108.8
152T23.4Very low27.2Very low148 Ų148151.5 Ų151.591%0.90880%0.803SS**  trans-147.8128.4158.726.60000108.6
153E25.3Very low27.3Very low196 Ų196149.2 Ų149.292%0.91680%0.804SS**  trans-78.8152.7179.8-56.1159.8105.100112
154A24.5Very low27.3Very low89 Ų89149.9 Ų149.974%0.73681%0.807SS**  trans-170.2109.2145.100000112.8
155S24.6Very low27Very low121 Ų121153.8 Ų153.885%0.84681%0.81SS**  trans61.3134.6139.4-500000123.1
156D26.1Very low26.8Very low146 Ų146154.6 Ų154.678%0.78181%0.808SS**  trans-61.9173.7155.1-52-86.7000112.6
157P34.9Very low27.2Very low125 Ų125151.7 Ų151.781%0.81281%0.805SS**  -136.5141.289.336.6-25.1000115.5
158E30Very low27.1Very low188 Ų188146.9 Ų146.988%0.87980%0.796SS**  trans-73.9139.7138.9-71.5-166.7132.200108.6
159E25.9Very low27.3Very low195 Ų195147 Ų14791%0.91181%0.805SS**  trans-154.6158.8137-143.4172-163.900110.9
160A27.1Very low27.1Very low81 Ų81143.7 Ų143.767%0.66980%0.804SS**  trans-143.6161.6178.300000110.7
161S25.1Very low27.2Very low108 Ų108139.7 Ų139.776%0.75580%0.801SS**  trans99.3153.4164.3-41.30000117.8
162Q25.8Very low27.4Very low185 Ų185140.2 Ų140.286%0.86480%0.803SS**  trans71111.5165.8-61.916711.100114.9
163A26.8Very low27.7Very low97 Ų97140.6 Ų140.680%0.80280%0.795SS**  cis81.6164.836.600000114.3
164Q25.8Very low27.7Very low176 Ų176136.6 Ų136.682%0.82278%0.784SS**  trans79132.9-166.2-80.6-178.7-102.200114.3
165E24.8Very low27.6Very low170 Ų170137.8 Ų137.879%0.79479%0.785SS**  cis-138.2161.84.4-60.3-162.3129.700114.3
166D28.1Very low27.7Very low134 Ų134136 Ų13672%0.71778%0.778SS**  trans-99.2156.3167.5-17945.7000109.2G168D166-G168 VanDerWaalsContact CG-N 3.32Å; D166-G168 PolarHBondContact OD1-N 2.8Å; D166-G168 PolarHBondContact OD2-N 2.79Å
167P37.4Very low27.8Very low127 Ų127137.6 Ų137.683%0.82578%0.781SS**  -149.2106.3101.734.2-14.2000115.8
168G25.1Very low27.5Very low51 Ų51139.7 Ų139.753%0.52678%0.78SS.*  71.3112.6101.400000121.1D166D166-G168 VanDerWaalsContact CG-N 3.32Å; D166-G168 PolarHBondContact OD1-N 2.8Å; D166-G168 PolarHBondContact OD2-N 2.79Å
169Q31.1Very low27.4Very low201 Ų201134.6 Ų134.694%0.93977%0.77SS**  trans-162.8136.8140.5-102.115810.500106.1
170G25Very low27.5Very low64 Ų64132.3 Ų132.366%0.6676%0.764SS**  cis99.7111.44200000106.9
171D29.7Very low28.6Very low168 Ų168133.9 Ų133.990%0.89877%0.768SS**  cis-140.5-178.524.9-77.3-43.6000115
172Q29.1Very low28.8Very low174 Ų174136.2 Ų136.281%0.81377%0.766SS**  trans-85.3-178.8175.3-61.1162.127.300110.4
173Q29.5Very low29Very low156 Ų156135.1 Ų135.173%0.72977%0.766SS**  171123.580.8-176.481.740.700111.3
174V24.3Very low29.2Very low113 Ų113137.7 Ų137.769%0.68576%0.761SS**  trans62.5137.3153.3172.50000119.2
175C22.7Very low29.8Very low113 Ų113135 Ų13576%0.76476%0.759SS**  cis106.4136.910.5-62.10000116.8
176A27.4Very low29.9Very low85 Ų85130.9 Ų130.970%0.70275%0.754SS**  trans65.3155.2168.900000117.1
177E29Very low30Very low179 Ų179130.6 Ų130.684%0.83676%0.762SS**  cis-166.3-180-11.6-105.915337.100106.1
178E28.6Very low29.4Very low169 Ų169128.3 Ų128.379%0.7976%0.762SS**  cis-164.2179.410.5-133.7-68.479.300109.5
179A26.8Very low29.4Very low81 Ų81129.4 Ų129.467%0.66977%0.773SS**  trans97.9125144.700000123
180D28.2Very low29.1Very low147 Ų147128.1 Ų128.179%0.78677%0.767SS**  trans-94.7-169.5158-146.23.7000108.8
181P51.3Low29.1Very low114 Ų114133.1 Ų133.174%0.7477%0.773SS**  cis-140154.729.440.4-19000119.9
182E28.8Very low28.9Very low157 Ų157132.5 Ų132.573%0.73477%0.765SS**  trans23.2143.6133.2-142.2-166.7134.600123.2
183L29.3Very low29.1Very low162 Ų162129.7 Ų129.785%0.84876%0.762SS**  -179.2150123-97.8169.8000115
184E30.4Very low28.9Very low151 Ų151131.4 Ų131.471%0.70676%0.762SS**  trans-120.5157.7175.7-103.3-78.3148.400110.4A186E184-A186 PolarHBondContact OE2-N 2.62Å
185P39.1Very low29.1Very low119 Ų119132.1 Ų132.177%0.77377%0.769SS**  -161.1128.8100.837.9-15.8000120
186A28Very low29.1Very low84 Ų84133.4 Ų133.469%0.69476%0.764SS**  45.1130.8123.300000125.7E184E184-A186 PolarHBondContact OE2-N 2.62Å
187S28.9Very low29Very low128 Ų128137.9 Ų137.990%0.89577%0.77SS**  trans103.4130.4132.4-156.60000122.8
188G25.4Very low28.9Very low79 Ų79133.1 Ų133.181%0.81476%0.761SS**  trans84.6149.8164.200000117
189G24.1Very low28.7Very low74 Ų74133.7 Ų133.776%0.76376%0.764SS**  cis167.8136.8-1000000113.5
190E24.5Very low28.5Very low173 Ų173135.6 Ų135.681%0.80877%0.767SS**  trans73.2146.1162.4-67.1-160.372.300124.1
191Q25.1Very low28.4Very low169 Ų169137.9 Ų137.979%0.7977%0.77SS**  trans78.5131.1147.7-74.8166.247.700124.2
192E26.6Very low27.2Very low155 Ų155137.4 Ų137.472%0.72478%0.775SS**  trans-80.1159160.1-147.1-153.2104.900109.3R194E192-R194 PolarHBondContact OE1-N 3.02Å
193P32.5Very low27.1Very low115 Ų115134.1 Ų134.175%0.74778%0.776SS**  -151.5167.584.539.3-21000116.9
194R26.5Very low27Very low192 Ų192131.9 Ų131.973%0.72577%0.773SS**  trans-51.6160.1158-77.5175.8164.3165.1-2.9114.6E192E192-R194 PolarHBondContact OE1-N 3.02Å
195P27.6Very low26.8Very low128 Ų128133.8 Ų133.883%0.83178%0.782SS**  -123178.5119.636.2-32.2000113.9
196Q23.6Very low26.3Very low141 Ų141135.3 Ų135.366%0.65978%0.782SS**  trans-130.3165.5-176.2-55.7178.2-50.700111.7
197Q25Very low26.3Very low179 Ų179139.7 Ų139.784%0.83679%0.793SS**  trans69.6152.7158.5-70.117710.400117.2
198A25.6Very low26.2Very low79 Ų79140.7 Ų140.765%0.65378%0.784SS**  cis-168.1-172.4-15.700000110.5
199Q25.5Very low26.2Very low181 Ų181144.5 Ų144.585%0.84679%0.786SS**  trans78.3153.9164.6-50.8-177.8-1.400115.8
200T22.9Very low26.4Very low120 Ų120144.7 Ų144.774%0.73679%0.787SS**  cis-156.8167.88-12.10000113.2
201K26.2Very low26.7Very low196 Ų196145.9 Ų145.985%0.85279%0.793SS**  trans70.2133.4166.4-63.9176.6178.7178.30117.4
202A25Very low26.8Very low103 Ų103146.8 Ų146.885%0.85180%0.797SS**  cis99.7105.2500000119.1
203A26.7Very low27.4Very low89 Ų89143.9 Ų143.974%0.73680%0.8SS**  trans-169121.8147.800000106.4
204S27Very low27.4Very low115 Ų115144 Ų14480%0.80480%0.801SS**  61133.289.7-52.80000113.4
205Q28Very low27.6Very low191 Ų191138.4 Ų138.489%0.89380%0.802SS**  cis-137.6176.137.8-66.2175.7-7.600114.6
206I26.6Very low28.1Very low150 Ų150138.5 Ų138.577%0.76980%0.803SS**  trans-106.6145.9-176.6-64.2157.6000109.9
207L29.3Very low28.5Very low176 Ų176139.2 Ų139.292%0.92181%0.811SS**  trans-143.7161.7141.8-108.5173.5000109.6
208E26.1Very low29Very low149 Ų149136.6 Ų136.670%0.69681%0.81SS**  trans-136.5143.9-147.6176.6-172.913700111.5
209N26Very low29.4Very low160 Ų160136.5 Ų136.586%0.85680%0.804SS**  trans166.9152.2138.6-98.3-73.6000112.5
210G29.1Very low29.9Very low77 Ų77135.3 Ų135.379%0.79480%0.803SS**  trans110.597.5153.700000117
211E29.7Very low30.6Very low199 Ų199135.4 Ų135.493%0.9380%0.799SS**  trans-82.2133.6163.5-69.1165.76100111.2
212E27.4Very low31.2Very low187 Ų187136.7 Ų136.787%0.87480%0.798SS**  trans-158.6151.3134.1-139.4-177.2116.500110.1
213A39.6Very low31.5Very low95 Ų95139.8 Ų139.879%0.78580%0.797SS**  trans-143.1121.2179.500000112.1
214P32.6Very low31.9Very low118 Ų118142.8 Ų142.877%0.76680%0.8SS**  trans-141.5132152.434.8-18.6000115
215G30.2Very low32.2Very low73 Ų73142.3 Ų142.375%0.75380%0.797SS**  trans94.7141.2150.300000117.6
216P38.5Very low32.6Very low131 Ų131137.9 Ų137.985%0.85179%0.787SS**PPolyproline II helixtrans-83.3145.2165.834-32.5000111.5
217D31.1Very low32.9Very low156 Ų156136.2 Ų136.283%0.83479%0.788SS**PPolyproline II helixtrans-60.9143.7-178.9-69.7-63000113.9
218P35Very low33.4Very low124 Ų124133.4 Ų133.481%0.80578%0.784SS**PPolyproline II helixtrans-72129.8176.929.7-33.9000111.7
219S34.3Very low33.6Very low76 Ų76130.9 Ų130.953%0.53178%0.782SS.*PPolyproline II helixtrans-67.2149.6-176.678.90000113.7D221S219-D221 WeakPolarHBondContact CB-OD2 3.28Å; S219-D221 PolarHBondContact O-N 2.9Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-D221 PolarHBondContact OG-OD2 2.93Å
220L36.8Very low34.6Very low156 Ų156130.8 Ų130.882%0.81779%0.787SS**G310 helixtrans-61.3-16.2180-74.2162.6000114R222 M223L220-R222 PolarHBondContact O-N 3.23Å; L220-R222 VanDerWaalsContact O-N 3.12Å; L220-M223 PolarHBondContact O-N 3.39Å
221D37.3Very low35Very low123 Ų123131.5 Ų131.566%0.65878%0.78SS**G310 helixtrans-56.5-28.6-180-60.8-75.1000113.6S219 M223S219-D221 WeakPolarHBondContact CB-OD2 3.28Å; S219-D221 PolarHBondContact O-N 2.9Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-D221 PolarHBondContact OG-OD2 2.93Å; D221-M223 VanDerWaalsContact C-N 3.3Å; D221-M223 PolarHBondContact O-N 3.16Å
222R39Very low35.4Very low223 Ų223127 Ų12784%0.84277%0.771SS**G310 helixtrans-75.8-12.2-171.5-157.1168.8-176.6176.51.1114.5L220L220-R222 PolarHBondContact O-N 3.23Å; L220-R222 VanDerWaalsContact O-N 3.12Å
223M31Very low35.9Very low167 Ų167124.9 Ų124.982%0.82377%0.765SS**G310 helixtrans-88.8-15.8179.1-76.6-167.7165.800114.9L220 D221L220-M223 PolarHBondContact O-N 3.39Å; D221-M223 VanDerWaalsContact C-N 3.3Å; D221-M223 PolarHBondContact O-N 3.16Å
224L36.2Very low36.1Very low152 Ų152127.8 Ų127.880%0.79677%0.767SS**THydrogen-bonded Turntrans-84.4-7.7-175.9-63.7179.6000114.6S226L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 2.79Å
225S31.5Very low36.5Very low106 Ų106124.6 Ų124.674%0.74175%0.747SS**THydrogen-bonded Turntrans-82-0.6-176.4-59.80000115.3
226S37.3Very low37.3Very low97 Ų97126.5 Ų126.568%0.67875%0.749SS**  trans-124.366.6-168.9-63.40000112.8L224L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 2.79Å
227S33.4Very low37.6Very low115 Ų115123.3 Ų123.380%0.80473%0.727SS**  trans-148.649.5174.6-79.30000113.5S229S227-S229 PolarHBondContact O-N 3.48Å; S227-S229 VanDerWaalsContact O-N 3.17Å
228S38.8Very low38.5Very low118 Ų118118.9 Ų118.983%0.82570%0.703SS**  trans-79.581.7171.456.60000112.2
229S32Very low38.9Very low95 Ų95116 Ų11666%0.66469%0.686SS**  trans-149.557.8174.3-80.60000113.8S227 S231S227-S229 PolarHBondContact O-N 3.48Å; S227-S229 VanDerWaalsContact O-N 3.17Å; S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å
230V45.3Very low39.6Very low159 Ų159116.1 Ų116.196%0.96470%0.699SS**THydrogen-bonded Turntrans-90.858.8171.9-72.10000112.2
231S37.8Very low40.2Very low91 Ų91111.7 Ų111.764%0.63668%0.681SS**THydrogen-bonded Turntrans-139.4-11.4-171.844.50000116.3S229S229-S231 VanDerWaalsContact C-N 3.33Å; S229-S231 PolarHBondContact O-N 2.95Å
232S39.1Very low40.8Very low105 Ų105111.6 Ų111.673%0.73468%0.677SS**  trans-109.928.8-168.2-55.50000115.8
233L37.9Very low41.1Very low143 Ų143106.8 Ų106.875%0.74967%0.665SS**  trans-121.638179.3-72.7178.1000114.4S235L233-S235 PolarHBondContact O-N 2.83Å
234N43.7Very low41.8Very low155 Ų155104.1 Ų104.183%0.82966%0.663SS**  trans-73.354.3164.5-81.5-8.7000112.2S236N234-S236 PolarHBondContact O-N 3.04Å
235S40.5Very low42Very low52 Ų52104 Ų10436%0.36466%0.663SS.*  trans-74.6120.1165.2-175.20000109.1L233 T237 L238L233-S235 PolarHBondContact O-N 2.83Å; S235-T237 PolarHBondContact O-N 3.21Å; S235-T237 PolarHBondContact OG-OG1 2.83Å; S235-L238 PolarHBondContact O-N 3.45Å
236S47.3Very low42.7Very low113 Ų113104.1 Ų104.179%0.7966%0.664SS**G310 helixtrans-59.1-5.1178.752.20000114.6N234N234-S236 PolarHBondContact O-N 3.04Å
237T45.5Very low43Very low63 Ų63101.2 Ų101.239%0.38765%0.649SS.*G310 helixtrans-83.1-19.8-178.864.90000114.3S235 S239S235-T237 PolarHBondContact O-N 3.21Å; S235-T237 PolarHBondContact OG-OG1 2.83Å; T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 2.98Å
238L48.1Very low43.5Very low64 Ų64104 Ų10434%0.33565%0.654SS.*G310 helixtrans-85.20.6-179.3-63.7178.5000114.2S235 G240 S241S235-L238 PolarHBondContact O-N 3.45Å; L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.43Å; L238-G240 VanDerWaalsContact O-N 3.07Å; L238-S241 PolarHBondContact O-N 3.17Å
239S45.4Very low44Very low64 Ų64100.8 Ų100.845%0.44864%0.635SS.*G310 helixtrans-46-43.7-172.6-179.70000114.2T237 S241 Q242 M243T237-S239 VanDerWaalsContact C-N 3.32Å; T237-S239 PolarHBondContact O-N 2.98Å; S239-S241 PolarHBondContact O-N 3.04Å; S239-Q242 PolarHBondContact O-N 3.45Å; S239-M243 WeakPolarHBondContact O-CE 3.24Å
240G47.8Very low45.1Very low78 Ų78105.1 Ų105.180%0.80465%0.645SS**G310 helixtrans-65.24.4179.100000116.7L238L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.43Å; L238-G240 VanDerWaalsContact O-N 3.07Å
241S50.4Low45.8Very low63 Ų63102.2 Ų102.244%0.44164%0.638SS.*G310 helixtrans-120.7-0.3169.1-59.50000114.5L238 S239L238-S241 PolarHBondContact O-N 3.17Å; S239-S241 PolarHBondContact O-N 3.04Å
242Q48.5Very low47.3Very low121 Ų121101.4 Ų101.457%0.56563%0.629SS**THydrogen-bonded Turntrans-88.2-20.8176.4-62.1-162.122.700113.5S239 S244S239-Q242 PolarHBondContact O-N 3.45Å; Q242-S244 PolarHBondContact O-N 3.15Å
243M46.3Very low49.1Very low121 Ų121104 Ų10460%0.59663%0.629SS**THydrogen-bonded Turntrans-78.685.8-176.7-104.150.569.600112.9S239S239-M243 WeakPolarHBondContact O-CE 3.24Å
244S44.9Very low51.2Low111 Ų111103.4 Ų103.478%0.77663%0.631SS**THydrogen-bonded Turntrans-144.94.8159.1-69.30000113.5Q242Q242-S244 PolarHBondContact O-N 3.15Å
245L41.8Very low53.2Low150 Ų150105.1 Ų105.179%0.78563%0.626SS**  trans-98.2-8.5-179.8-58.4179.1000113.5G247L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 3.29Å
246S44.3Very low55.5Low109 Ų109104.8 Ų104.876%0.76263%0.631SS**SBendtrans-79.169.1179.659.20000112
247G44.4Very low57.8Low35 Ų35101.9 Ų101.936%0.36161%0.611SS.*SBendtrans164105.9172.100000112.4L245 A249 R285L245-G247 VanDerWaalsContact C-N 3.28Å; L245-G247 PolarHBondContact O-N 3.29Å; G247-A249 WeakPolarHBondContact O-CB 3.15Å; G247-A249 PolarHBondContact O-N 3.18Å; G247-R285 PolarHBondContact O-NH2 3.3Å
248D44.5Very low60.1Low173 Ų173102.4 Ų102.493%0.92561%0.614SS**SBendtrans2.981.5170.5-167.327.1000115.1
249A49.1Very low62.4Low51 Ų51102.8 Ų102.842%0.42161%0.614SS.*  trans-153.1115.217800000108.2G247 A251G247-A249 WeakPolarHBondContact O-CB 3.15Å; G247-A249 PolarHBondContact O-N 3.18Å; A249-A251 PolarHBondContact O-N 2.94Å
250E54Low64.9Low186 Ų186105.2 Ų105.287%0.86962%0.616SS**  trans-25119.9164.6-163173.4-14900112V252E250-V252 WeakPolarHBondContact O-CG2 3.5Å; E250-V252 PolarHBondContact O-N 2.6Å
251A59.9Low67.1Low98 Ų98103.6 Ų103.681%0.8160%0.595SS**  trans-62.498-168.300000111.2A249 Q253A249-A251 PolarHBondContact O-N 2.94Å; A251-Q253 PolarHBondContact O-N 3.3Å
252V69.4Low69.1Low74 Ų74105.8 Ų105.845%0.44860%0.602SS.*  trans-66.3105.6-171.5-178.80000109.7E250 V254 A282E250-V252 WeakPolarHBondContact O-CG2 3.5Å; E250-V252 PolarHBondContact O-N 2.6Å; V252-V254 PolarHBondContact O-N 3.18Å; V252-V254 VanDerWaalsContact O-N 3.11Å; V252-A282 HydrophobicContact CG1-CB 3.78Å
253Q77.2Confident70.9Confident159 Ų159105.2 Ų105.274%0.74360%0.599SS**  trans-51.5117.4178-178.460.355.600110.5A251 R255 A282A251-Q253 PolarHBondContact O-N 3.3Å; Q253-R255 PolarHBondContact O-N 2.93Å; Q253-A282 WeakPolarHBondContact O-CB 3.22Å
254V82.2Confident72.5Confident131 Ų131105.7 Ų105.779%0.79460%0.595SS**  trans-62.3124.2179.3-177.80000108.8V252V252-V254 PolarHBondContact O-N 3.18Å; V252-V254 VanDerWaalsContact O-N 3.11Å
255R85.4Confident74.1Confident191 Ų191103.5 Ų103.572%0.72157%0.572SS**  trans-150.5145.6-177.2-170.2-176.8177174.20.5110.6Q253 G280 L281 A282Q253-R255 PolarHBondContact O-N 2.93Å; R255-G280 CarbonylContact C-O 3.59Å; R255-L281 WeakPolarHBondContact O-CA 3.33Å; R255-A282 HydrophobicContact CB-CB 4.4Å; R255-A282 PolarHBondContact O-N 3.26Å
256G90.1Very high74.9Confident46 Ų46101.1 Ų101.147%0.47457%0.566SS.*  trans130.4171.3169.700000112.1Q279 G280G256-Q279 CarbonylContact C-O 3.54Å; G256-Q279 WeakPolarHBondContact CA-O 3.09Å; G256-G280 WeakPolarHBondContact CA-O 3.44Å
257S93.7Very high75.7Confident52 Ų52100.1 Ų100.136%0.36457%0.572SS.*EExtended strand (participates in β ladder)trans-125154.9172.263.20000110.8C278 Q279S257-C278 CarbonylContact O-C 3.49Å; S257-C278 WeakPolarHBondContact O-CA 3.41Å; S257-C278 WeakPolarHBondContact O-CB 3.39Å; S257-Q279 PolarHBondContact N-O 3.02Å; S257-Q279 PolarHBondContact O-N 3.02Å
258V95.3Very high76.7Confident73 Ų73100.8 Ų100.844%0.44258%0.575SS.*EExtended strand (participates in β ladder)trans-118.2122.6173.8-172.90000107.8F260V258-F260 HydrophobicContact CG1-CD1 4.34Å
259H96.9Very high77.8Confident73 Ų7393.6 Ų93.634%0.33854%0.539SS..EExtended strand (participates in β ladder)trans-97123.6172.7-63.269.7000108.3I276 Q277 Q279H259-I276 HydrophobicContact CB-CB 4.37Å; H259-I276 WeakPolarHBondContact O-CB 3.17Å; H259-I276 PolarHBondContact O-N 2.87Å; H259-Q277 HydrophobicContact CB-CG 3.88Å; H259-Q277 PolarHBondContact N-O 3.26Å; H259-Q277 PolarHBondContact O-N 2.9Å; H259-Q279 VanDerWaalsContact CE1-CD 3.48Å
260F97Very high79.2Confident114 Ų11492.4 Ų92.450%0.553%0.525SS..EExtended strand (participates in β ladder)trans-146.6161.5178.965.1-83.1000109.9V258 L262 H274V258-F260 HydrophobicContact CG1-CD1 4.34Å; F260-L262 HydrophobicContact CD2-CD2 4.02Å; F260-L262 HydrophobicContact CD2-CG 4.16Å; F260-L262 HydrophobicContact CE2-CD1 4.27Å; F260-L262 HydrophobicContact CE2-CD2 4.07Å; F260-L262 HydrophobicContact CE2-CG 3.98Å; F260-H274 CarbonylContact C-O 3.49Å; F260-H274 WeakPolarHBondContact CA-O 3.29Å; F260-H274 WeakPolarHBondContact CB-O 3.26Å
261A94Very high80.5Confident44 Ų4485.9 Ų85.936%0.36450%0.496SS..EExtended strand (participates in β ladder)trans-123.7150.9168.800000110H274A261-H274 HydrophobicContact CB-CB 4.42Å; A261-H274 PolarHBondContact N-O 3.12Å; A261-H274 PolarHBondContact O-N 2.82Å
262L91.3Very high81.9Confident110 Ų11083.9 Ų83.958%0.57647%0.467SS*.EExtended strand (participates in β ladder)trans-112.4136.2173.8-59.6179.2000108.8F260 V273F260-L262 HydrophobicContact CD2-CD2 4.02Å; F260-L262 HydrophobicContact CD2-CG 4.16Å; F260-L262 HydrophobicContact CE2-CD1 4.27Å; F260-L262 HydrophobicContact CE2-CD2 4.07Å; F260-L262 HydrophobicContact CE2-CG 3.98Å; L262-V273 HydrophobicContact CD2-CB 4.26Å; L262-V273 HydrophobicContact CD2-CG1 4.05Å; L262-V273 HydrophobicContact CD2-CG2 3.83Å
263H87.4Confident83.1Confident109 Ų10981 Ų8151%0.50545%0.45SS..EExtended strand (participates in β ladder)trans-139.7129.9173.8-178.1-75.6000109.1R272H263-R272 HydrophobicContact CB-CB 4.36Å; H263-R272 PolarHBondContact N-O 3.33Å; H263-R272 WeakPolarHBondContact O-CB 3.37Å; H263-R272 PolarHBondContact O-N 2.7Å
264Y79.1Confident84Confident130 Ų13076.5 Ų76.551%0.5143%0.429SS..EExtended strand (participates in β ladder)trans-103.8135.3172.7179.9-113.4000109.4P266 A269Y264-P266 HydrophobicContact CD1-CG 3.98Å; Y264-P266 HydrophobicContact CE1-CB 4.14Å; Y264-P266 HydrophobicContact CE1-CG 3.99Å; Y264-P266 WeakPolarHBondContact O-CD 3.36Å; Y264-A269 WeakPolarHBondContact OH-CA 3.32Å
265E79.6Confident84.7Confident65 Ų6570.4 Ų70.430%0.30439%0.392SS..EExtended strand (participates in β ladder)trans-11298.6177.9-174.2160101.500110G267 A268 A269 E270 R272E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.17Å; E265-A268 HydrophobicContact CG-CB 4.25Å; E265-A268 PolarHBondContact O-N 3.08Å; E265-A268 VanDerWaalsContact O-N 3.09Å; E265-A269 PolarHBondContact O-N 3.5Å; E265-E270 PolarHBondContact N-O 3.07Å; E265-E270 PolarHBondContact O-N 2.89Å; E265-R272 VanDerWaalsContact CD-NH2 3.27Å; E265-R272 IonicContact OE1-CZ 3.3Å; E265-R272 IonicContact OE1-NH1 3.39Å; E265-R272 IonicContact OE1-NH2 3.21Å; E265-R272 PolarHBondContact OE1-NH2 3.28Å; E265-R272 IonicContact OE2-CZ 2.72Å; E265-R272 VanDerWaalsContact OE2-CZ 3.3Å; E265-R272 IonicContact OE2-NH1 2.98Å; E265-R272 PolarHBondContact OE2-NH1 2.62Å; E265-R272 IonicContact OE2-NH2 3.62Å; E265-R272 PolarHBondContact OE2-NH2 3.45Å
266P57.6Low85.3Confident101 Ų10163.9 Ų63.966%0.65637%0.371SS*.G310 helixtrans-58.3-39.3-170.4-27.134.8000114.2Y264 A268 A269Y264-P266 HydrophobicContact CD1-CG 3.98Å; Y264-P266 HydrophobicContact CE1-CB 4.14Å; Y264-P266 HydrophobicContact CE1-CG 3.99Å; Y264-P266 WeakPolarHBondContact O-CD 3.36Å; P266-A268 PolarHBondContact O-N 2.9Å; P266-A269 PolarHBondContact O-N 3.13Å
267G62.1Low85.6Confident87 Ų8764.3 Ų64.390%0.89736%0.36SS*.G310 helixtrans-67.7-17.6-179.400000114.9E265E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.17Å
268A65.4Low85.7Confident49 Ų4962 Ų6241%0.40534%0.344SS..G310 helixtrans-112.5-2175.400000112.9E265 P266 E270E265-A268 HydrophobicContact CG-CB 4.25Å; E265-A268 PolarHBondContact O-N 3.08Å; E265-A268 VanDerWaalsContact O-N 3.09Å; P266-A268 PolarHBondContact O-N 2.9Å; A268-E270 HydrophobicContact CB-CB 4.04Å; A268-E270 PolarHBondContact O-N 2.81Å
269A66.8Low85.6Confident22 Ų2262.3 Ų62.318%0.18234%0.341CS..THydrogen-bonded Turntrans46.626.9-165.900000114.4Y264 E265 P266 P326Y264-A269 WeakPolarHBondContact OH-CA 3.32Å; E265-A269 PolarHBondContact O-N 3.5Å; P266-A269 PolarHBondContact O-N 3.13Å; A269-P326 HydrophobicContact CB-CB 3.89Å; A269-P326 HydrophobicContact CB-CG 3.99Å; A269-P326 WeakPolarHBondContact O-CB 3.41Å; A269-P326 WeakPolarHBondContact O-CD 3.47Å
270E78.3Confident85.3Confident27 Ų2760.4 Ų60.413%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-96.4129.4-169.6-171.9178.4-115.200111.8E265 A268 R272 R323E265-E270 PolarHBondContact N-O 3.07Å; E265-E270 PolarHBondContact O-N 2.89Å; A268-E270 HydrophobicContact CB-CB 4.04Å; A268-E270 PolarHBondContact O-N 2.81Å; E270-R272 HydrophobicContact CG-CG 4.31Å; E270-R272 IonicContact OE2-CZ 3.27Å; E270-R272 IonicContact OE2-NE 3.75Å; E270-R272 PolarHBondContact OE2-NE 3.28Å; E270-R272 IonicContact OE2-NH2 2.73Å; E270-R272 PolarHBondContact OE2-NH2 2.66Å; E270-R323 WeakPolarHBondContact OE1-CB 3.24Å; E270-R323 VanDerWaalsContact OE1-CD 3.3Å; E270-R323 WeakPolarHBondContact OE1-CD 3.5Å
271L81.8Confident85Confident48 Ų4856.8 Ų56.825%0.25133%0.326SS..EExtended strand (participates in β ladder)trans-94.1115.7170.3177.163000110.1L297 V324L271-L297 HydrophobicContact CD2-CD1 4.38Å; L271-V324 HydrophobicContact CB-CB 4.29Å; L271-V324 PolarHBondContact N-O 3.23Å; L271-V324 WeakPolarHBondContact O-CB 3.43Å; L271-V324 PolarHBondContact O-N 3.27Å
272R90Very high84.7Confident57 Ų5756 Ų5622%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-99.8116.4178.2-65.7-175.9176.9143.520.2110.4H263 E265 E270 T321H263-R272 HydrophobicContact CB-CB 4.36Å; H263-R272 PolarHBondContact N-O 3.33Å; H263-R272 WeakPolarHBondContact O-CB 3.37Å; H263-R272 PolarHBondContact O-N 2.7Å; E265-R272 VanDerWaalsContact CD-NH2 3.27Å; E265-R272 IonicContact OE1-CZ 3.3Å; E265-R272 IonicContact OE1-NH1 3.39Å; E265-R272 IonicContact OE1-NH2 3.21Å; E265-R272 PolarHBondContact OE1-NH2 3.28Å; E265-R272 IonicContact OE2-CZ 2.72Å; E265-R272 VanDerWaalsContact OE2-CZ 3.3Å; E265-R272 IonicContact OE2-NH1 2.98Å; E265-R272 PolarHBondContact OE2-NH1 2.62Å; E265-R272 IonicContact OE2-NH2 3.62Å; E265-R272 PolarHBondContact OE2-NH2 3.45Å; E270-R272 HydrophobicContact CG-CG 4.31Å; E270-R272 IonicContact OE2-CZ 3.27Å; E270-R272 IonicContact OE2-NE 3.75Å; E270-R272 PolarHBondContact OE2-NE 3.28Å; E270-R272 IonicContact OE2-NH2 2.73Å; E270-R272 PolarHBondContact OE2-NH2 2.66Å; R272-T321 HydrophobicContact CB-CG2 3.79Å; R272-T321 HydrophobicContact CG-CG2 4.11Å
273V93.5Very high84.3Confident14 Ų1452.9 Ų52.99%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-100.198.3172.7-175.40000108.3L262 V275 L322 V324L262-V273 HydrophobicContact CD2-CB 4.26Å; L262-V273 HydrophobicContact CD2-CG1 4.05Å; L262-V273 HydrophobicContact CD2-CG2 3.83Å; V273-V275 HydrophobicContact CG1-CG2 4.4Å; V273-V275 PolarHBondContact O-N 2.82Å; V273-L322 HydrophobicContact CB-CB 4.34Å; V273-L322 PolarHBondContact N-O 2.68Å; V273-L322 PolarHBondContact O-N 2.88Å; V273-V324 HydrophobicContact CG2-CG2 4.41Å
274H96.1Very high83.6Confident64 Ų6449.9 Ų49.930%0.29630%0.304SS..EExtended strand (participates in β ladder)trans-83104.9177.2179.8-143.6000109.9F260 A261 I276F260-H274 CarbonylContact C-O 3.49Å; F260-H274 WeakPolarHBondContact CA-O 3.29Å; F260-H274 WeakPolarHBondContact CB-O 3.26Å; A261-H274 HydrophobicContact CB-CB 4.42Å; A261-H274 PolarHBondContact N-O 3.12Å; A261-H274 PolarHBondContact O-N 2.82Å; H274-I276 PolarHBondContact O-N 3.4Å
275V97.1Very high82.9Confident2 Ų251.9 Ų51.91%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-83.9109.7176.3-175.20000108.2V273 V293 T307 F318 N319 E320 L322V273-V275 HydrophobicContact CG1-CG2 4.4Å; V273-V275 PolarHBondContact O-N 2.82Å; V275-V293 HydrophobicContact CG1-CB 4.11Å; V275-V293 HydrophobicContact CG1-CG1 4.42Å; V275-V293 HydrophobicContact CG1-CG2 3.81Å; V275-V293 HydrophobicContact CG2-CB 4.48Å; V275-V293 HydrophobicContact CG2-CG1 4.22Å; V275-T307 HydrophobicContact CB-CG2 4.03Å; V275-T307 HydrophobicContact CG1-CG2 4.1Å; V275-T307 HydrophobicContact CG2-CG2 4.09Å; V275-F318 HydrophobicContact CB-CB 4.36Å; V275-F318 HydrophobicContact CG1-CB 4Å; V275-F318 HydrophobicContact CG1-CD2 3.74Å; V275-F318 HydrophobicContact CG1-CG 4.02Å; V275-F318 WeakPolarHBondContact O-CB 3.42Å; V275-N319 WeakPolarHBondContact O-CA 2.98Å; V275-N319 PolarHBondContact O-N 2.82Å; V275-E320 PolarHBondContact N-O 3.11Å; V275-E320 PolarHBondContact O-N 3.43Å; V275-L322 HydrophobicContact CG2-CD1 3.97Å; V275-L322 HydrophobicContact CG2-CG 4.16Å
276I97.3Very high82.4Confident55 Ų5560.3 Ų60.328%0.28234%0.339SS..EExtended strand (participates in β ladder)trans-85.2-68.7-174.1-54.6167.1000108.9H259 H274 F318 N319H259-I276 HydrophobicContact CB-CB 4.37Å; H259-I276 WeakPolarHBondContact O-CB 3.17Å; H259-I276 PolarHBondContact O-N 2.87Å; H274-I276 PolarHBondContact O-N 3.4Å; I276-F318 PolarHBondContact O-N 2.77Å; I276-N319 PolarHBondContact O-N 3.46Å; I276-N319 PolarHBondContact O-OD1 2.99Å
277Q96.8Very high82.6Confident55 Ų5566.5 Ų66.526%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-156.4160.3-176.662.9179.4-7.500112.2H259 P316 V317H259-Q277 HydrophobicContact CB-CG 3.88Å; H259-Q277 PolarHBondContact N-O 3.26Å; H259-Q277 PolarHBondContact O-N 2.9Å; Q277-P316 CarbonylContact C-O 3.38Å; Q277-P316 WeakPolarHBondContact CA-O 3.27Å; Q277-P316 WeakPolarHBondContact CB-O 3.35Å; Q277-V317 HydrophobicContact CB-CG2 4.17Å
278C96.1Very high83Confident4 Ų469 Ų693%0.02733%0.332CS..EExtended strand (participates in β ladder)trans-109.6156.9159.7-51.80000110.5S257 L281 N315 P316S257-C278 CarbonylContact O-C 3.49Å; S257-C278 WeakPolarHBondContact O-CA 3.41Å; S257-C278 WeakPolarHBondContact O-CB 3.39Å; C278-L281 HydrophobicContact CB-CD1 3.78Å; C278-L281 HydrophobicContact CB-CD2 3.84Å; C278-L281 HydrophobicContact CB-CG 3.81Å; C278-N315 CarbonylContact O-C 3.47Å; C278-N315 WeakPolarHBondContact O-CA 3.1Å; C278-P316 HydrophobicContact CB-CG 3.77Å; C278-P316 PolarHBondContact N-O 3.19Å
279Q94Very high83.9Confident79 Ų7967.3 Ų67.337%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-133.1146.1175.5-64.3179.50.300111G256 S257 H259 L281 N315G256-Q279 CarbonylContact C-O 3.54Å; G256-Q279 WeakPolarHBondContact CA-O 3.09Å; S257-Q279 PolarHBondContact N-O 3.02Å; S257-Q279 PolarHBondContact O-N 3.02Å; H259-Q279 VanDerWaalsContact CE1-CD 3.48Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 3.09Å; Q279-N315 WeakPolarHBondContact CA-OD1 3.18Å
280G90.7Very high85Confident32 Ų3269.7 Ų69.733%0.3333%0.327SS..SBendtrans61.827.4171.700000115.1R255 G256 L314 N315R255-G280 CarbonylContact C-O 3.59Å; G256-G280 WeakPolarHBondContact CA-O 3.44Å; G280-L314 PolarHBondContact N-O 3.29Å; G280-N315 PolarHBondContact N-OD1 3.48Å
281L90.9Very high85.7Confident38 Ų3869.4 Ų69.420%0.19933%0.327CS..  trans-59.3144.9-178-66.7179.6000111.9R255 C278 Q279 P291 L314 P316R255-L281 WeakPolarHBondContact O-CA 3.33Å; C278-L281 HydrophobicContact CB-CD1 3.78Å; C278-L281 HydrophobicContact CB-CD2 3.84Å; C278-L281 HydrophobicContact CB-CG 3.81Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 3.09Å; L281-P291 HydrophobicContact CD1-CB 3.71Å; L281-P291 HydrophobicContact CD1-CG 3.88Å; L281-L314 HydrophobicContact CB-CB 4.46Å; L281-L314 WeakPolarHBondContact CB-O 3.19Å; L281-L314 WeakPolarHBondContact CG-O 3.29Å; L281-L314 PolarHBondContact N-O 3.1Å; L281-P316 HydrophobicContact CD1-CG 3.76Å
282A87.4Confident86.3Confident29 Ų2972.1 Ų72.124%0.2434%0.335CS..  trans-59.6142.3174.100000112.5V252 Q253 R255 A284 S289V252-A282 HydrophobicContact CG1-CB 3.78Å; Q253-A282 WeakPolarHBondContact O-CB 3.22Å; R255-A282 HydrophobicContact CB-CB 4.4Å; R255-A282 PolarHBondContact O-N 3.26Å; A282-A284 PolarHBondContact O-N 2.72Å; A282-S289 PolarHBondContact O-OG 2.82Å
283A82.9Confident86.5Confident43 Ų4370.8 Ų70.836%0.35533%0.333SS..  trans-86.5109.6-179.300000110.7S289 L314A283-S289 WeakPolarHBondContact CA-OG 3.38Å; A283-L314 HydrophobicContact CB-CD1 4.19Å; A283-L314 HydrophobicContact CB-CD2 4.39Å
284A72.4Confident86.3Confident46 Ų4673.4 Ų73.438%0.3834%0.343SS..  trans-68.8167.3172.700000111.8A282 R286 R287 R288 S289A282-A284 PolarHBondContact O-N 2.72Å; A284-R286 PolarHBondContact O-N 3.38Å; A284-R287 WeakPolarHBondContact O-CA 3.16Å; A284-R287 PolarHBondContact O-N 2.72Å; A284-R288 PolarHBondContact O-N 2.73Å; A284-S289 PolarHBondContact N-OG 2.98Å
285R64.6Low85.9Confident172 Ų17271.5 Ų71.565%0.64934%0.337SS*.G310 helixtrans-28.3128.5-175.3-71.4178.8167.9-167.3-5.5114G247 R287G247-R285 PolarHBondContact O-NH2 3.3Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 3.24Å
286R67.6Low85.2Confident242 Ų24274.9 Ų74.991%0.91335%0.35SS*.G310 helixtrans58.832.7-178.4-60.7-179.1170179.2-4.3114.5A284 R288A284-R286 PolarHBondContact O-N 3.38Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.78Å
287R63.7Low84.2Confident231 Ų23175.1 Ų75.187%0.87235%0.352SS*.G310 helixtrans56.640.6178.3-60.4-178.8179.1-109.6-0.1113.5A284 R285A284-R287 WeakPolarHBondContact O-CA 3.16Å; A284-R287 PolarHBondContact O-N 2.72Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 3.24Å
288R69.3Low82.8Confident141 Ų14177.2 Ų77.253%0.53236%0.364SS..  trans-136.1102.7176.3-62.1-174.1-166.2-79.17.3110.2A284 R286A284-R288 PolarHBondContact O-N 2.73Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 2.78Å
289S83.8Confident81Confident13 Ų1382.9 Ų82.99%0.09140%0.401CS..  trans-100.7132.7167.6-53.30000109.7A282 A283 A284 P291 R312 N313 L314A282-S289 PolarHBondContact O-OG 2.82Å; A283-S289 WeakPolarHBondContact CA-OG 3.38Å; A284-S289 PolarHBondContact N-OG 2.98Å; S289-P291 WeakPolarHBondContact O-CD 3.04Å; S289-R312 CarbonylContact O-C 3.57Å; S289-R312 WeakPolarHBondContact O-CA 3.39Å; S289-R312 PolarHBondContact O-N 2.9Å; S289-N313 PolarHBondContact O-N 2.82Å; S289-N313 VanDerWaalsContact O-N 3.08Å; S289-L314 WeakPolarHBondContact OG-CD2 3.48Å
290D90.9Very high79.3Confident72 Ų7281.7 Ų81.739%0.38540%0.397SS..  trans-11272.9172-73.58.5000108.5V309 K310 K311 R312D290-V309 HydrophobicContact CB-CG1 3.91Å; D290-V309 WeakPolarHBondContact O-CG1 3.07Å; D290-K310 CarbonylContact C-O 3.55Å; D290-K310 WeakPolarHBondContact CA-O 3.31Å; D290-K311 WeakPolarHBondContact OD1-CA 3.48Å; D290-R312 PolarHBondContact OD1-N 2.94Å
291P91.9Very high77.8Confident20 Ų2086.7 Ų86.713%0.1341%0.41CS..  trans-69.7153.9-172.628.2-39.3000115.2L281 S289 K310 N313 P316L281-P291 HydrophobicContact CD1-CB 3.71Å; L281-P291 HydrophobicContact CD1-CG 3.88Å; S289-P291 WeakPolarHBondContact O-CD 3.04Å; P291-K310 WeakPolarHBondContact CD-O 3.44Å; P291-K310 PolarHBondContact O-N 3.05Å; P291-N313 VanDerWaalsContact CD-O 3.23Å; P291-N313 WeakPolarHBondContact CD-O 3Å; P291-N313 WeakPolarHBondContact CG-O 3.17Å; P291-P316 HydrophobicContact CB-CG 4.21Å; P291-P316 HydrophobicContact CG-CB 3.94Å; P291-P316 HydrophobicContact CG-CG 3.64Å
292Y94.4Very high76.4Confident105 Ų10592.3 Ų92.341%0.41244%0.435SS..  trans-147.9157.8165.261.9-91.2000108K294 T307 A308 V309Y292-K294 HydrophobicContact CD2-CG 4.21Å; Y292-K294 HydrophobicContact CE2-CD 3.76Å; Y292-K294 VanDerWaalsContact CE2-CE 3.47Å; Y292-K294 HydrophobicContact CE2-CG 3.81Å; Y292-K294 PolarHBondContact OH-NZ 3.25Å; Y292-T307 WeakPolarHBondContact CA-OG1 3.29Å; Y292-A308 WeakPolarHBondContact CB-O 3.23Å; Y292-V309 HydrophobicContact CD1-CG2 4.01Å; Y292-V309 HydrophobicContact CG-CG2 4.34Å
293V94.1Very high75.5Confident29 Ų2991.1 Ų91.118%0.17643%0.425CS..  trans-102.2143.2172.71780000109.4V275 K306 T307 F318V275-V293 HydrophobicContact CG1-CB 4.11Å; V275-V293 HydrophobicContact CG1-CG1 4.42Å; V275-V293 HydrophobicContact CG1-CG2 3.81Å; V275-V293 HydrophobicContact CG2-CB 4.48Å; V275-V293 HydrophobicContact CG2-CG1 4.22Å; V293-K306 CarbonylContact O-C 3.53Å; V293-K306 WeakPolarHBondContact O-CA 3.39Å; V293-T307 HydrophobicContact CB-CG2 4Å; V293-T307 PolarHBondContact N-OG1 3.41Å; V293-T307 PolarHBondContact O-N 3.19Å; V293-F318 HydrophobicContact CG2-CD2 4.45Å; V293-F318 HydrophobicContact CG2-CE2 3.96Å; V293-F318 HydrophobicContact CG2-CZ 4.26Å
294K91.1Very high75.5Confident69 Ų6994.1 Ų94.130%0.343%0.43SS..EExtended strand (participates in β ladder)trans-113.5138165.1-78.5158.5177.5156.40108.2Y292 Y296 R305 K306Y292-K294 HydrophobicContact CD2-CG 4.21Å; Y292-K294 HydrophobicContact CE2-CD 3.76Å; Y292-K294 VanDerWaalsContact CE2-CE 3.47Å; Y292-K294 HydrophobicContact CE2-CG 3.81Å; Y292-K294 PolarHBondContact OH-NZ 3.25Å; K294-Y296 HydrophobicContact CB-CE2 3.81Å; K294-Y296 HydrophobicContact CD-CE2 4.46Å; K294-R305 CarbonylContact C-O 3.58Å; K294-R305 VanDerWaalsContact CA-O 3.29Å; K294-R305 WeakPolarHBondContact CA-O 3.34Å; K294-K306 HydrophobicContact CG-CB 4.14Å
295S87.1Confident76.2Confident24 Ų2496 Ų9617%0.16843%0.427CS..EExtended strand (participates in β ladder)trans-115.9147.9170.4-174.90000109.9K304 R305S295-K304 WeakPolarHBondContact O-CA 3.38Å; S295-R305 PolarHBondContact N-O 2.8Å; S295-R305 PolarHBondContact O-N 2.75Å
296Y82.3Confident77.5Confident74 Ų7494.9 Ų94.929%0.2943%0.427SS..  trans-142.8133.1176.5-57.7-98.2000107.9K294 K304K294-Y296 HydrophobicContact CB-CE2 3.81Å; K294-Y296 HydrophobicContact CD-CE2 4.46Å; Y296-K304 HydrophobicContact CD1-CB 3.89Å; Y296-K304 HydrophobicContact CD1-CG 4.11Å; Y296-K304 HydrophobicContact CE1-CB 3.79Å; Y296-K304 HydrophobicContact CE1-CD 3.81Å; Y296-K304 HydrophobicContact CE1-CG 3.57Å
297L76.5Confident78.8Confident60 Ų6083.6 Ų83.631%0.31439%0.385SS..  trans-97.3106.9167.717964.6000107.8L271 D300 S303 V324L271-L297 HydrophobicContact CD2-CD1 4.38Å; L297-D300 CarbonylContact O-C 3.51Å; L297-D300 PolarHBondContact O-N 2.81Å; L297-D300 VanDerWaalsContact O-N 3.09Å; L297-S303 PolarHBondContact N-OG 2.92Å; L297-S303 PolarHBondContact O-OG 2.93Å; L297-V324 HydrophobicContact CB-CG1 3.95Å; L297-V324 HydrophobicContact CD2-CG1 3.82Å
298L66.2Low80.3Confident99 Ų9975.1 Ų75.152%0.51836%0.364SS..THydrogen-bonded Turntrans-80.1143.6177.6-60.9-179.6000109.8
299P59.2Low81.5Confident123 Ų12372 Ų7280%0.79936%0.361SS*.THydrogen-bonded Turncis-83.6-6.512.233.4-37.1000116.1K301P299-K301 PolarHBondContact O-N 3.38Å
300D59Low81.9Confident53 Ų5374.2 Ų74.228%0.28337%0.369SS..  trans-68.2118.1-175.7177.329.4000113L297 Q302 S303L297-D300 CarbonylContact O-C 3.51Å; L297-D300 PolarHBondContact O-N 2.81Å; L297-D300 VanDerWaalsContact O-N 3.09Å; D300-Q302 VanDerWaalsContact C-N 3.32Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.35Å; D300-Q302 PolarHBondContact OD1-N 3.4Å; D300-S303 PolarHBondContact O-OG 3.23Å; D300-S303 WeakPolarHBondContact OD2-CA 3.27Å; D300-S303 WeakPolarHBondContact OD2-CB 3.39Å; D300-S303 PolarHBondContact OD2-N 3.29Å
301K58.5Low81.9Confident137 Ų13778.4 Ų78.460%0.59638%0.384SS*.SBendtrans-78.5-14.8179.1-59.5175.5-172.91720112.9P299P299-K301 PolarHBondContact O-N 3.38Å
302Q61.1Low81.8Confident156 Ų15685.7 Ų85.773%0.72941%0.409SS*.SBendtrans-96-13.9-179.5-53.6-59.3-13.300113.7D300 K304 R305D300-Q302 VanDerWaalsContact C-N 3.32Å; D300-Q302 WeakPolarHBondContact OD1-CB 3.35Å; D300-Q302 PolarHBondContact OD1-N 3.4Å; Q302-K304 PolarHBondContact O-N 3.49Å; Q302-R305 PolarHBondContact O-NH1 3.3Å
303S68.7Low81.5Confident4 Ų483.5 Ų83.53%0.02840%0.404CS..  trans-54.4-13.5174.564.90000115L297 D300 R305L297-S303 PolarHBondContact N-OG 2.92Å; L297-S303 PolarHBondContact O-OG 2.93Å; D300-S303 PolarHBondContact O-OG 3.23Å; D300-S303 WeakPolarHBondContact OD2-CA 3.27Å; D300-S303 WeakPolarHBondContact OD2-CB 3.39Å; D300-S303 PolarHBondContact OD2-N 3.29Å; S303-R305 PolarHBondContact O-N 3.44Å; S303-R305 PolarHBondContact O-NH1 3.03Å
304K82.9Confident81.4Confident107 Ų10785 Ų8547%0.46541%0.411SS..  trans-43.1119.4-177.1-173.4-180-173.1178.60113S295 Y296 Q302S295-K304 WeakPolarHBondContact O-CA 3.38Å; Y296-K304 HydrophobicContact CD1-CB 3.89Å; Y296-K304 HydrophobicContact CD1-CG 4.11Å; Y296-K304 HydrophobicContact CE1-CB 3.79Å; Y296-K304 HydrophobicContact CE1-CD 3.81Å; Y296-K304 HydrophobicContact CE1-CG 3.57Å; Q302-K304 PolarHBondContact O-N 3.49Å
305R87.3Confident81.5Confident85 Ų8586 Ų8632%0.32142%0.419SS..EExtended strand (participates in β ladder)trans-122.5160.3167.2-58.1-60.1173.9-102.54.4109.8K294 S295 Q302 S303 L322 R323 V324K294-R305 CarbonylContact C-O 3.58Å; K294-R305 VanDerWaalsContact CA-O 3.29Å; K294-R305 WeakPolarHBondContact CA-O 3.34Å; S295-R305 PolarHBondContact N-O 2.8Å; S295-R305 PolarHBondContact O-N 2.75Å; Q302-R305 PolarHBondContact O-NH1 3.3Å; S303-R305 PolarHBondContact O-N 3.44Å; S303-R305 PolarHBondContact O-NH1 3.03Å; R305-L322 HydrophobicContact CB-CB 3.87Å; R305-L322 HydrophobicContact CB-CD1 4.08Å; R305-L322 HydrophobicContact CB-CD2 4.3Å; R305-L322 HydrophobicContact CB-CG 4.31Å; R305-L322 HydrophobicContact CG-CB 4.45Å; R305-R323 PolarHBondContact NE-O 3.34Å; R305-V324 HydrophobicContact CG-CG2 4.47Å
306K92.3Very high81.9Confident148 Ų14884.8 Ų84.864%0.64341%0.411SS*.EExtended strand (participates in β ladder)trans-145.4151.7175.466.2170.7-174.1174.20111.6V293 K294 L322V293-K306 CarbonylContact O-C 3.53Å; V293-K306 WeakPolarHBondContact O-CA 3.39Å; K294-K306 HydrophobicContact CG-CB 4.14Å; K306-L322 VanDerWaalsContact C-CD2 3.5Å; K306-L322 VanDerWaalsContact O-CD2 3.29Å; K306-L322 WeakPolarHBondContact O-CD2 3.38Å
307T94.8Very high82.6Confident5 Ų584.6 Ų84.63%0.03142%0.417CS..PPolyproline II helixtrans-76.5171.6167.5650000111.3V275 Y292 V293 F318 E320 L322V275-T307 HydrophobicContact CB-CG2 4.03Å; V275-T307 HydrophobicContact CG1-CG2 4.1Å; V275-T307 HydrophobicContact CG2-CG2 4.09Å; Y292-T307 WeakPolarHBondContact CA-OG1 3.29Å; V293-T307 HydrophobicContact CB-CG2 4Å; V293-T307 PolarHBondContact N-OG1 3.41Å; V293-T307 PolarHBondContact O-N 3.19Å; T307-F318 HydrophobicContact CG2-CB 4.36Å; T307-F318 HydrophobicContact CG2-CD1 3.85Å; T307-F318 HydrophobicContact CG2-CE1 4.4Å; T307-F318 HydrophobicContact CG2-CG 4.12Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.26Å; T307-F318 VanDerWaalsContact OG1-CE1 3.24Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.26Å; T307-E320 WeakPolarHBondContact CA-OE2 3.22Å; T307-E320 WeakPolarHBondContact CB-OE2 3.3Å; T307-E320 HydrophobicContact CG2-CB 4.2Å; T307-L322 HydrophobicContact CG2-CD1 4.32Å; T307-L322 HydrophobicContact CG2-CD2 4.28Å
308A94.7Very high83.5Confident53 Ų5382.1 Ų82.144%0.43840%0.404SS..PPolyproline II helixtrans-59.4162157.800000111.5Y292 F318 E320Y292-A308 WeakPolarHBondContact CB-O 3.23Å; A308-F318 WeakPolarHBondContact O-CE1 3.29Å; A308-E320 PolarHBondContact N-OE2 2.92Å
309V94.5Very high84.9Confident76 Ų7682.1 Ų82.146%0.46141%0.405SS..PPolyproline II helixtrans-93.6119.7177-176.80000109.4D290 Y292D290-V309 HydrophobicContact CB-CG1 3.91Å; D290-V309 WeakPolarHBondContact O-CG1 3.07Å; Y292-V309 HydrophobicContact CD1-CG2 4.01Å; Y292-V309 HydrophobicContact CG-CG2 4.34Å
310K92.8Very high86.6Confident60 Ų6078.4 Ų78.426%0.26138%0.376SS..  trans-95.9111.5177.3-51.6-75.8170.1155.30107.8D290 P291 P316 V317 F318 E320D290-K310 CarbonylContact C-O 3.55Å; D290-K310 WeakPolarHBondContact CA-O 3.31Å; P291-K310 WeakPolarHBondContact CD-O 3.44Å; P291-K310 PolarHBondContact O-N 3.05Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.97Å; K310-V317 VanDerWaalsContact CE-O 3.28Å; K310-V317 WeakPolarHBondContact CE-O 3.35Å; K310-V317 PolarHBondContact NZ-O 3.23Å; K310-F318 HydrophobicContact CB-CE1 4.47Å; K310-F318 HydrophobicContact CD-CD1 4.31Å; K310-F318 HydrophobicContact CD-CE1 4.44Å; K310-F318 VanDerWaalsContact CE-CD1 3.43Å; K310-F318 HydrophobicContact CG-CD1 3.79Å; K310-F318 HydrophobicContact CG-CE1 3.47Å; K310-F318 VanDerWaalsContact CG-CE1 3.47Å; K310-F318 HydrophobicContact CG-CZ 4.13Å; K310-F318 PolarHBondContact NZ-O 2.94Å; K310-E320 WeakPolarHBondContact CE-OE1 3.24Å; K310-E320 IonicContact NZ-OE1 2.93Å; K310-E320 PolarHBondContact NZ-OE1 3.08Å
311K91.1Very high88.3Confident159 Ų15979.1 Ų79.169%0.69138%0.383SS*.THydrogen-bonded Turntrans-75.7143.1-171.6-62.9-176.9178173.90112.7D290 N313D290-K311 WeakPolarHBondContact OD1-CA 3.48Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.18Å
312R89.1Confident89.8Confident174 Ų17473.3 Ų73.366%0.65736%0.358SS*.THydrogen-bonded Turntrans52.335.7170.8-58.3174.4179.3177.60.7114.5S289 D290S289-R312 CarbonylContact O-C 3.57Å; S289-R312 WeakPolarHBondContact O-CA 3.39Å; S289-R312 PolarHBondContact O-N 2.9Å; D290-R312 PolarHBondContact OD1-N 2.94Å
313N89.5Confident91.1Very high58 Ų5872.9 Ų72.931%0.3135%0.35SS..  trans-126.6131.3-174-165.9-8.6000111.3S289 P291 K311 N315 P316S289-N313 PolarHBondContact O-N 2.82Å; S289-N313 VanDerWaalsContact O-N 3.08Å; P291-N313 VanDerWaalsContact CD-O 3.23Å; P291-N313 WeakPolarHBondContact CD-O 3Å; P291-N313 WeakPolarHBondContact CG-O 3.17Å; K311-N313 VanDerWaalsContact C-N 3.26Å; K311-N313 PolarHBondContact O-N 3.18Å; N313-N315 PolarHBondContact ND2-O 2.97Å; N313-N315 WeakPolarHBondContact OD1-CA 3.25Å; N313-N315 PolarHBondContact OD1-N 3.48Å; N313-N315 PolarHBondContact OD1-O 3.12Å; N313-P316 WeakPolarHBondContact ND2-CA 3.34Å
314L91.4Very high91.5Very high61 Ų6172.9 Ų72.932%0.31935%0.35SS..SBendtrans-98.9-9.8174.8-54.9-176.9000112.9G280 L281 A283 S289G280-L314 PolarHBondContact N-O 3.29Å; L281-L314 HydrophobicContact CB-CB 4.46Å; L281-L314 WeakPolarHBondContact CB-O 3.19Å; L281-L314 WeakPolarHBondContact CG-O 3.29Å; L281-L314 PolarHBondContact N-O 3.1Å; A283-L314 HydrophobicContact CB-CD1 4.19Å; A283-L314 HydrophobicContact CB-CD2 4.39Å; S289-L314 WeakPolarHBondContact OG-CD2 3.48Å
315N93.2Very high90.5Very high89 Ų8970.6 Ų70.648%0.47635%0.346SS..SBendtrans-126.961.7173.4-51-65.4000109.9C278 Q279 G280 N313 V317C278-N315 CarbonylContact O-C 3.47Å; C278-N315 WeakPolarHBondContact O-CA 3.1Å; Q279-N315 WeakPolarHBondContact CA-OD1 3.18Å; G280-N315 PolarHBondContact N-OD1 3.48Å; N313-N315 PolarHBondContact ND2-O 2.97Å; N313-N315 WeakPolarHBondContact OD1-CA 3.25Å; N313-N315 PolarHBondContact OD1-N 3.48Å; N313-N315 PolarHBondContact OD1-O 3.12Å; N315-V317 PolarHBondContact O-N 3.31Å
316P94.8Very high89.3Confident0 Ų068.1 Ų68.10%034%0.341CS..  trans-68.6124.9-177.330.4-38.3000111.9Q277 C278 L281 P291 K310 N313 F318Q277-P316 CarbonylContact C-O 3.38Å; Q277-P316 WeakPolarHBondContact CA-O 3.27Å; Q277-P316 WeakPolarHBondContact CB-O 3.35Å; C278-P316 HydrophobicContact CB-CG 3.77Å; C278-P316 PolarHBondContact N-O 3.19Å; L281-P316 HydrophobicContact CD1-CG 3.76Å; P291-P316 HydrophobicContact CB-CG 4.21Å; P291-P316 HydrophobicContact CG-CB 3.94Å; P291-P316 HydrophobicContact CG-CG 3.64Å; K310-P316 HydrophobicContact CB-CB 3.89Å; K310-P316 HydrophobicContact CG-CB 3.97Å; N313-P316 WeakPolarHBondContact ND2-CA 3.34Å; P316-F318 HydrophobicContact CB-CD2 4.37Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.68Å; P316-F318 HydrophobicContact CB-CZ 3.72Å; P316-F318 HydrophobicContact CG-CD2 4.48Å; P316-F318 HydrophobicContact CG-CE2 3.53Å; P316-F318 HydrophobicContact CG-CZ 3.79Å
317V96.5Very high87.8Confident69 Ų6962 Ų6242%0.41832%0.317SS..EExtended strand (participates in β ladder)trans-87.6122.8162-177.20000108.4Q277 K310 N315Q277-V317 HydrophobicContact CB-CG2 4.17Å; K310-V317 VanDerWaalsContact CE-O 3.28Å; K310-V317 WeakPolarHBondContact CE-O 3.35Å; K310-V317 PolarHBondContact NZ-O 3.23Å; N315-V317 PolarHBondContact O-N 3.31Å
318F96.6Very high86Confident9 Ų963.9 Ų63.94%0.03933%0.329CS..EExtended strand (participates in β ladder)trans-95-62.1176.2-64.9-80.3000110V275 I276 V293 T307 A308 K310 P316 E320V275-F318 HydrophobicContact CB-CB 4.36Å; V275-F318 HydrophobicContact CG1-CB 4Å; V275-F318 HydrophobicContact CG1-CD2 3.74Å; V275-F318 HydrophobicContact CG1-CG 4.02Å; V275-F318 WeakPolarHBondContact O-CB 3.42Å; I276-F318 PolarHBondContact O-N 2.77Å; V293-F318 HydrophobicContact CG2-CD2 4.45Å; V293-F318 HydrophobicContact CG2-CE2 3.96Å; V293-F318 HydrophobicContact CG2-CZ 4.26Å; T307-F318 HydrophobicContact CG2-CB 4.36Å; T307-F318 HydrophobicContact CG2-CD1 3.85Å; T307-F318 HydrophobicContact CG2-CE1 4.4Å; T307-F318 HydrophobicContact CG2-CG 4.12Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.26Å; T307-F318 VanDerWaalsContact OG1-CE1 3.24Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.26Å; A308-F318 WeakPolarHBondContact O-CE1 3.29Å; K310-F318 HydrophobicContact CB-CE1 4.47Å; K310-F318 HydrophobicContact CD-CD1 4.31Å; K310-F318 HydrophobicContact CD-CE1 4.44Å; K310-F318 VanDerWaalsContact CE-CD1 3.43Å; K310-F318 HydrophobicContact CG-CD1 3.79Å; K310-F318 HydrophobicContact CG-CE1 3.47Å; K310-F318 VanDerWaalsContact CG-CE1 3.47Å; K310-F318 HydrophobicContact CG-CZ 4.13Å; K310-F318 PolarHBondContact NZ-O 2.94Å; P316-F318 HydrophobicContact CB-CD2 4.37Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.68Å; P316-F318 HydrophobicContact CB-CZ 3.72Å; P316-F318 HydrophobicContact CG-CD2 4.48Å; P316-F318 HydrophobicContact CG-CE2 3.53Å; P316-F318 HydrophobicContact CG-CZ 3.79Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 HydrophobicContact CB-CB 4.29Å; F318-E320 HydrophobicContact CB-CG 4.34Å
319N95.5Very high84.1Confident99 Ų9965.6 Ų65.653%0.52933%0.33SS..EExtended strand (participates in β ladder)trans50.648.8-166.8-64.5-8.6000111.6V275 I276V275-N319 WeakPolarHBondContact O-CA 2.98Å; V275-N319 PolarHBondContact O-N 2.82Å; I276-N319 PolarHBondContact O-N 3.46Å; I276-N319 PolarHBondContact O-OD1 2.99Å
320E95.6Very high82.6Confident44 Ų4467.3 Ų67.321%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-121.4120.9-173.3-74168.7-125.700110.5V275 T307 A308 K310 F318 L322V275-E320 PolarHBondContact N-O 3.11Å; V275-E320 PolarHBondContact O-N 3.43Å; T307-E320 WeakPolarHBondContact CA-OE2 3.22Å; T307-E320 WeakPolarHBondContact CB-OE2 3.3Å; T307-E320 HydrophobicContact CG2-CB 4.2Å; A308-E320 PolarHBondContact N-OE2 2.92Å; K310-E320 WeakPolarHBondContact CE-OE1 3.24Å; K310-E320 IonicContact NZ-OE1 2.93Å; K310-E320 PolarHBondContact NZ-OE1 3.08Å; F318-E320 VanDerWaalsContact C-N 3.29Å; F318-E320 HydrophobicContact CB-CB 4.29Å; F318-E320 HydrophobicContact CB-CG 4.34Å; E320-L322 PolarHBondContact O-N 3.35Å
321T93.8Very high81.5Confident69 Ų6966 Ų6642%0.42333%0.333SS..EExtended strand (participates in β ladder)trans-88.7105.4178.4-58.10000110.9R272 R323R272-T321 HydrophobicContact CB-CG2 3.79Å; R272-T321 HydrophobicContact CG-CG2 4.11Å; T321-R323 HydrophobicContact CG2-CG 4.49Å; T321-R323 PolarHBondContact O-N 2.82Å
322L90.9Very high80.8Confident14 Ų1462.7 Ų62.77%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-80106.4172.5-55.1-174.5000108.9V273 V275 R305 K306 T307 E320 V324V273-L322 HydrophobicContact CB-CB 4.34Å; V273-L322 PolarHBondContact N-O 2.68Å; V273-L322 PolarHBondContact O-N 2.88Å; V275-L322 HydrophobicContact CG2-CD1 3.97Å; V275-L322 HydrophobicContact CG2-CG 4.16Å; R305-L322 HydrophobicContact CB-CB 3.87Å; R305-L322 HydrophobicContact CB-CD1 4.08Å; R305-L322 HydrophobicContact CB-CD2 4.3Å; R305-L322 HydrophobicContact CB-CG 4.31Å; R305-L322 HydrophobicContact CG-CB 4.45Å; K306-L322 VanDerWaalsContact C-CD2 3.5Å; K306-L322 VanDerWaalsContact O-CD2 3.29Å; K306-L322 WeakPolarHBondContact O-CD2 3.38Å; T307-L322 HydrophobicContact CG2-CD1 4.32Å; T307-L322 HydrophobicContact CG2-CD2 4.28Å; E320-L322 PolarHBondContact O-N 3.35Å; L322-V324 PolarHBondContact O-N 2.66Å
323R86.7Confident80.6Confident148 Ų14856 Ų5656%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-79116.2175.9-64.1-178.7-170.7-164.33.5110.5E270 R305 T321E270-R323 WeakPolarHBondContact OE1-CB 3.24Å; E270-R323 VanDerWaalsContact OE1-CD 3.3Å; E270-R323 WeakPolarHBondContact OE1-CD 3.5Å; R305-R323 PolarHBondContact NE-O 3.34Å; T321-R323 HydrophobicContact CG2-CG 4.49Å; T321-R323 PolarHBondContact O-N 2.82Å
324V77.1Confident80.4Confident4 Ų453.5 Ų53.52%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-98108.4166.4-173.90000105.7L271 V273 L297 R305 L322L271-V324 HydrophobicContact CB-CB 4.29Å; L271-V324 PolarHBondContact N-O 3.23Å; L271-V324 WeakPolarHBondContact O-CB 3.43Å; L271-V324 PolarHBondContact O-N 3.27Å; V273-V324 HydrophobicContact CG2-CG2 4.41Å; L297-V324 HydrophobicContact CB-CG1 3.95Å; L297-V324 HydrophobicContact CD2-CG1 3.82Å; R305-V324 HydrophobicContact CG-CG2 4.47Å; L322-V324 PolarHBondContact O-N 2.66Å
325P63.2Low80.4Confident59 Ų5951 Ų5138%0.38328%0.283SS..PPolyproline II helixtrans-60.4162170.930.4-35.4000108.9S327P325-S327 PolarHBondContact O-N 2.8Å
326P62.3Low80.5Confident33 Ų3349.4 Ų49.421%0.21427%0.274CS..PPolyproline II helixtrans-49.6142.217023-34.1000109.8A269 L331A269-P326 HydrophobicContact CB-CB 3.89Å; A269-P326 HydrophobicContact CB-CG 3.99Å; A269-P326 WeakPolarHBondContact O-CB 3.41Å; A269-P326 WeakPolarHBondContact O-CD 3.47Å; P326-L331 HydrophobicContact CB-CD2 3.91Å; P326-L331 HydrophobicContact CB-CG 4.26Å; P326-L331 HydrophobicContact CG-CD2 3.52Å; P326-L331 HydrophobicContact CG-CG 4.21Å
327S60Low80.6Confident20 Ų2049.4 Ų49.414%0.1427%0.274CS..PPolyproline II helixtrans-53.6138.2161.3-176.40000106.6P325 D329 D330 L331P325-S327 PolarHBondContact O-N 2.8Å; S327-D329 PolarHBondContact O-N 3.47Å; S327-D329 VanDerWaalsContact O-N 3.08Å; S327-D329 PolarHBondContact OG-N 3.45Å; S327-D330 WeakPolarHBondContact CB-OD2 3.39Å; S327-D330 PolarHBondContact O-N 3.26Å; S327-L331 PolarHBondContact O-N 3Å
328P57Low80.7Confident43 Ų4346.7 Ų46.728%0.27926%0.258SS..G310 helixtrans-50.7-38171.9-2634.6000110.4D330 L331 R334 L372P328-D330 VanDerWaalsContact C-N 3.26Å; P328-D330 PolarHBondContact O-N 3.24Å; P328-L331 WeakPolarHBondContact O-CB 3.35Å; P328-L331 PolarHBondContact O-N 3.48Å; P328-R334 PolarHBondContact O-NE 2.95Å; P328-R334 PolarHBondContact O-NH2 3.06Å; P328-L372 HydrophobicContact CB-CD2 4.41Å
329D55.2Low80.8Confident89 Ų8946.3 Ų46.348%0.47626%0.257SS..G310 helixtrans-72.2-15.4-177.2-54.6-20.7000113.2S327 R334 L372S327-D329 PolarHBondContact O-N 3.47Å; S327-D329 VanDerWaalsContact O-N 3.08Å; S327-D329 PolarHBondContact OG-N 3.45Å; D329-R334 VanDerWaalsContact CA-NH2 3.34Å; D329-R334 IonicContact OD1-CZ 3.53Å; D329-R334 IonicContact OD1-NH2 3.57Å; D329-R334 PolarHBondContact OD1-NH2 3.33Å; D329-L372 VanDerWaalsContact OD1-CD2 3.25Å; D329-L372 WeakPolarHBondContact OD1-CD2 3.33Å
330D62.3Low81Confident113 Ų11341.6 Ų41.660%0.60423%0.231SC*.G310 helixtrans-95.9-8.7174.9-59.2-32.6000113.4S327 P328S327-D330 WeakPolarHBondContact CB-OD2 3.39Å; S327-D330 PolarHBondContact O-N 3.26Å; P328-D330 VanDerWaalsContact C-N 3.26Å; P328-D330 PolarHBondContact O-N 3.24Å
331L69Low81.1Confident32 Ų3239.5 Ų39.517%0.16822%0.222CC..  trans-65.1128.1175.5-72.3169.6000109.8P326 S327 P328 S333 R334 L370 T491P326-L331 HydrophobicContact CB-CD2 3.91Å; P326-L331 HydrophobicContact CB-CG 4.26Å; P326-L331 HydrophobicContact CG-CD2 3.52Å; P326-L331 HydrophobicContact CG-CG 4.21Å; S327-L331 PolarHBondContact O-N 3Å; P328-L331 WeakPolarHBondContact O-CB 3.35Å; P328-L331 PolarHBondContact O-N 3.48Å; L331-S333 PolarHBondContact O-N 3.39Å; L331-R334 HydrophobicContact CB-CG 4.27Å; L331-R334 HydrophobicContact CD1-CG 4.26Å; L331-L370 HydrophobicContact CD1-CB 4.44Å; L331-L370 HydrophobicContact CD1-CD1 3.8Å; L331-T491 WeakPolarHBondContact O-CB 3.48Å; L331-T491 WeakPolarHBondContact O-CG2 3.38Å; L331-T491 PolarHBondContact O-OG1 3.06Å
332P76.5Confident81.3Confident90 Ų9037.4 Ų37.458%0.58421%0.207SC*.SBendtrans-66.5-25.7-176.526.1-34.8000113.4R490 T491P332-R490 WeakPolarHBondContact O-CA 3.1Å; P332-T491 PolarHBondContact O-N 2.86Å
333S85.4Confident81.6Confident32 Ų3237.2 Ų37.222%0.22421%0.205CC..EExtended strand (participates in β ladder)trans-146.4156174.3-1790000110.4L331 G335 P488 L489L331-S333 PolarHBondContact O-N 3.39Å; S333-G335 PolarHBondContact OG-O 3.21Å; S333-G335 VanDerWaalsContact OG-O 3.06Å; S333-P488 WeakPolarHBondContact OG-CB 3.48Å; S333-L489 WeakPolarHBondContact CA-O 3.35Å; S333-L489 PolarHBondContact OG-N 2.84Å; S333-L489 PolarHBondContact OG-O 2.64Å
334R86.5Confident82.1Confident7 Ų730.1 Ų30.13%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-130.640.3-175.5-74.2162.8168.6-121.539.6113.8P328 D329 L331 L369 L370 L372 L442 L489 T491P328-R334 PolarHBondContact O-NE 2.95Å; P328-R334 PolarHBondContact O-NH2 3.06Å; D329-R334 VanDerWaalsContact CA-NH2 3.34Å; D329-R334 IonicContact OD1-CZ 3.53Å; D329-R334 IonicContact OD1-NH2 3.57Å; D329-R334 PolarHBondContact OD1-NH2 3.33Å; L331-R334 HydrophobicContact CB-CG 4.27Å; L331-R334 HydrophobicContact CD1-CG 4.26Å; R334-L369 WeakPolarHBondContact O-CA 3.3Å; R334-L370 HydrophobicContact CB-CB 4.21Å; R334-L370 HydrophobicContact CG-CB 4.29Å; R334-L370 PolarHBondContact O-N 2.87Å; R334-L370 VanDerWaalsContact O-N 3.16Å; R334-L372 VanDerWaalsContact NH1-CG 3.34Å; R334-L442 WeakPolarHBondContact CD-O 3.48Å; R334-L489 PolarHBondContact N-O 2.71Å; R334-L489 VanDerWaalsContact N-O 3.13Å; R334-T491 HydrophobicContact CG-CG2 4.1Å
335G90.8Very high83Confident9 Ų931.6 Ų31.69%0.09319%0.188CC..EExtended strand (participates in β ladder)trans116.2-173.7-174.900000111.1S333 R367 D368 L489S333-G335 PolarHBondContact OG-O 3.21Å; S333-G335 VanDerWaalsContact OG-O 3.06Å; G335-R367 CarbonylContact C-O 3.59Å; G335-R367 VanDerWaalsContact CA-O 3.26Å; G335-R367 WeakPolarHBondContact CA-O 3.38Å; G335-D368 VanDerWaalsContact CA-O 3.29Å; G335-D368 WeakPolarHBondContact CA-O 3.48Å; G335-L489 PolarHBondContact O-N 2.99Å
336L94.5Very high84.5Confident55 Ų5531.7 Ų31.729%0.28819%0.194SC..EExtended strand (participates in β ladder)trans-120.7143.3-174.2-55.6175.4000110.2A366 R367 L486 L487L336-A366 CarbonylContact O-C 3.36Å; L336-A366 WeakPolarHBondContact O-CA 3.38Å; L336-A366 WeakPolarHBondContact O-CB 3.19Å; L336-R367 PolarHBondContact N-O 2.73Å; L336-R367 PolarHBondContact O-N 3.32Å; L336-L486 HydrophobicContact CB-CD1 3.69Å; L336-L486 HydrophobicContact CB-CG 4.15Å; L336-L486 HydrophobicContact CD1-CD1 4.25Å; L336-L486 HydrophobicContact CD1-CD2 3.94Å; L336-L486 HydrophobicContact CD1-CG 4.04Å; L336-L487 CarbonylContact C-O 3.59Å; L336-L487 WeakPolarHBondContact CA-O 3.25Å
337L98.2Very high85.9Confident0 Ų031.8 Ų31.80%020%0.201CC..EExtended strand (participates in β ladder)trans-105.9123171.3-173.367.6000108.9L339 V363 A366 V381 L429 T445 L486 L487 L489L337-L339 HydrophobicContact CB-CD2 4.39Å; L337-L339 HydrophobicContact CD2-CD2 3.95Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L337-V363 HydrophobicContact CD1-CG1 4.18Å; L337-A366 HydrophobicContact CD1-CB 4.22Å; L337-V381 HydrophobicContact CD1-CG2 3.96Å; L337-L429 HydrophobicContact CD2-CB 4.1Å; L337-L429 HydrophobicContact CD2-CD2 4.17Å; L337-T445 HydrophobicContact CD2-CG2 3.99Å; L337-L486 WeakPolarHBondContact O-CA 3.47Å; L337-L487 PolarHBondContact N-O 2.6Å; L337-L487 PolarHBondContact O-N 3.06Å; L337-L489 HydrophobicContact CB-CD1 4.48Å; L337-L489 HydrophobicContact CB-CD2 3.96Å; L337-L489 HydrophobicContact CB-CG 4.07Å; L337-L489 HydrophobicContact CD2-CD2 4.41Å
338A98.4Very high87.4Confident11 Ų1133.4 Ų33.49%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-98.6127.7174.300000109.7K364 E365 G485 L486A338-K364 HydrophobicContact CB-CB 4.4Å; A338-K364 WeakPolarHBondContact O-CB 3.45Å; A338-K364 PolarHBondContact O-N 2.9Å; A338-E365 HydrophobicContact CB-CG 3.79Å; A338-E365 PolarHBondContact N-O 2.83Å; A338-E365 PolarHBondContact O-N 2.92Å; A338-G485 WeakPolarHBondContact CA-O 3.21Å; A338-L486 HydrophobicContact CB-CD1 3.84Å
339L98.4Very high88.7Confident1 Ų137.5 Ų37.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-151.3169.3-179.261.8138000112.3L337 L341 W362 L429 L447 L471 G485L337-L339 HydrophobicContact CB-CD2 4.39Å; L337-L339 HydrophobicContact CD2-CD2 3.95Å; L337-L339 HydrophobicContact CG-CD2 3.89Å; L339-L341 HydrophobicContact CD1-CD2 3.58Å; L339-L341 HydrophobicContact CD1-CG 4.11Å; L339-W362 CarbonylContact C-O 3.51Å; L339-W362 WeakPolarHBondContact CA-O 3.31Å; L339-W362 WeakPolarHBondContact CB-O 3.36Å; L339-L429 HydrophobicContact CD1-CD2 4.34Å; L339-L447 HydrophobicContact CD1-CD1 4.06Å; L339-L471 HydrophobicContact CD1-CD2 4.26Å; L339-G485 PolarHBondContact N-O 3.37Å; L339-G485 PolarHBondContact O-N 3.29Å
340S98.6Very high89.8Confident0 Ų035 Ų350%022%0.222CC..EExtended strand (participates in β ladder)trans-122.9149162.5-45.70000110.8W362 K364 W482 V483 D484S340-W362 PolarHBondContact N-O 2.98Å; S340-W362 PolarHBondContact O-N 2.79Å; S340-K364 WeakPolarHBondContact OG-CE 3.5Å; S340-K364 PolarHBondContact OG-NZ 3.5Å; S340-W482 VanDerWaalsContact CB-CE3 3.47Å; S340-V483 CarbonylContact C-O 3.48Å; S340-V483 VanDerWaalsContact CA-O 3.25Å; S340-V483 WeakPolarHBondContact CA-O 3.09Å; S340-D484 WeakPolarHBondContact CB-OD1 3.39Å; S340-D484 PolarHBondContact OG-OD1 3.18Å
341L98.3Very high90.9Very high0 Ų034.9 Ų34.90%024%0.238CC..EExtended strand (participates in β ladder)trans-113.8142.7170-54.2-179.6000110.1L339 H360 F361 L447 L471 W472 L475 W482 V483L339-L341 HydrophobicContact CD1-CD2 3.58Å; L339-L341 HydrophobicContact CD1-CG 4.11Å; L341-H360 WeakPolarHBondContact CA-O 3.37Å; L341-F361 HydrophobicContact CD2-CD1 3.35Å; L341-F361 HydrophobicContact CD2-CE1 3.8Å; L341-F361 HydrophobicContact CD2-CG 4.27Å; L341-L447 HydrophobicContact CD1-CD1 3.89Å; L341-L447 HydrophobicContact CD2-CD1 3.81Å; L341-L447 HydrophobicContact CG-CD1 4.41Å; L341-L471 HydrophobicContact CD1-CD2 3.9Å; L341-L471 HydrophobicContact CD1-CG 3.73Å; L341-L471 HydrophobicContact CG-CD2 4.22Å; L341-L471 HydrophobicContact CG-CG 4.3Å; L341-W472 HydrophobicContact CD1-CE3 4.14Å; L341-L475 HydrophobicContact CB-CB 4.49Å; L341-L475 HydrophobicContact CB-CD1 3.84Å; L341-L475 HydrophobicContact CB-CD2 4.17Å; L341-L475 HydrophobicContact CB-CG 4.39Å; L341-L475 HydrophobicContact CD1-CB 4.47Å; L341-L475 HydrophobicContact CD1-CD2 3.93Å; L341-W482 WeakPolarHBondContact O-CA 3.39Å; L341-V483 PolarHBondContact N-O 2.9Å; L341-V483 PolarHBondContact O-N 2.85Å
342K97.8Very high91.5Very high25 Ų2535.7 Ų35.711%0.10925%0.254CS..EExtended strand (participates in β ladder)trans-137.8140.3165172.1178.675.7142.90109V344 E349 H360 L475 C480 E481 W482K342-V344 HydrophobicContact CD-CG2 3.77Å; K342-V344 HydrophobicContact CG-CG2 3.93Å; K342-V344 VanDerWaalsContact NZ-CG2 3.26Å; K342-E349 IonicContact NZ-OE1 3.93Å; K342-H360 HydrophobicContact CB-CB 4.14Å; K342-H360 PolarHBondContact N-O 3.41Å; K342-H360 PolarHBondContact O-N 3.41Å; K342-L475 VanDerWaalsContact C-CD1 3.45Å; K342-C480 WeakPolarHBondContact CD-O 3.46Å; K342-E481 WeakPolarHBondContact CA-O 3.38Å; K342-E481 WeakPolarHBondContact CB-O 3.44Å; K342-E481 WeakPolarHBondContact CG-O 3.15Å; K342-W482 HydrophobicContact CB-CD2 3.74Å; K342-W482 HydrophobicContact CB-CE3 3.55Å; K342-W482 HydrophobicContact CB-CG 4.36Å; K342-W482 HydrophobicContact CB-CH2 4.24Å; K342-W482 HydrophobicContact CB-CZ2 4.36Å; K342-W482 HydrophobicContact CB-CZ3 3.82Å
343Y97.6Very high92.1Very high10 Ų1036.2 Ų36.24%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-115.2126.6166.8173.7-117.7000109.6P345 E358 F417 P419 L422 L475 C480Y343-P345 HydrophobicContact CD1-CG 4.14Å; Y343-P345 HydrophobicContact CE1-CB 4.23Å; Y343-P345 HydrophobicContact CE1-CG 3.82Å; Y343-E358 CarbonylContact C-O 3.52Å; Y343-E358 WeakPolarHBondContact CA-O 3.39Å; Y343-E358 VanDerWaalsContact CD2-O 3.23Å; Y343-E358 WeakPolarHBondContact CD2-O 3.25Å; Y343-F417 HydrophobicContact CE2-CB 4.34Å; Y343-F417 WeakPolarHBondContact CE2-O 3.41Å; Y343-F417 PolarHBondContact OH-O 3.47Å; Y343-P419 HydrophobicContact CE1-CG 4.19Å; Y343-P419 WeakPolarHBondContact OH-CD 3.45Å; Y343-L422 HydrophobicContact CD1-CD1 3.64Å; Y343-L422 HydrophobicContact CD2-CD1 3.59Å; Y343-L422 HydrophobicContact CE1-CD1 3.82Å; Y343-L422 HydrophobicContact CE2-CD1 3.76Å; Y343-L422 HydrophobicContact CE2-CG 4.48Å; Y343-L422 HydrophobicContact CG-CD1 3.51Å; Y343-L475 VanDerWaalsContact N-CD1 3.28Å; Y343-C480 PolarHBondContact O-N 3.13Å
344V96.7Very high92.4Very high0 Ų035 Ų350%024%0.242CC..EExtended strand (participates in β ladder)trans-110.3106.4178.9-172.30000108K342 S348 E349 P354 G357 E358K342-V344 HydrophobicContact CD-CG2 3.77Å; K342-V344 HydrophobicContact CG-CG2 3.93Å; K342-V344 VanDerWaalsContact NZ-CG2 3.26Å; V344-S348 VanDerWaalsContact CG1-OG 3.26Å; V344-S348 WeakPolarHBondContact CG1-OG 3.45Å; V344-E349 HydrophobicContact CG1-CG 3.9Å; V344-P354 HydrophobicContact CB-CG 4.24Å; V344-P354 HydrophobicContact CG1-CG 3.67Å; V344-G357 CarbonylContact O-C 3.59Å; V344-G357 VanDerWaalsContact O-CA 3.28Å; V344-G357 WeakPolarHBondContact O-CA 3.46Å; V344-E358 HydrophobicContact CB-CB 4.39Å; V344-E358 PolarHBondContact N-O 3.45Å; V344-E358 PolarHBondContact O-N 3.2Å
345P95.9Very high92.6Very high35 Ų3539.9 Ų39.923%0.22728%0.275CS..  trans-62.1151.6177.5-21.532.8000112.2Y343 G347 S348 P479Y343-P345 HydrophobicContact CD1-CG 4.14Å; Y343-P345 HydrophobicContact CE1-CB 4.23Å; Y343-P345 HydrophobicContact CE1-CG 3.82Å; P345-G347 PolarHBondContact O-N 3.26Å; P345-S348 VanDerWaalsContact O-CB 3.27Å; P345-S348 WeakPolarHBondContact O-CB 3.39Å; P345-S348 PolarHBondContact O-N 2.94Å; P345-S348 PolarHBondContact O-OG 3.12Å; P345-P479 HydrophobicContact CG-CB 4.06Å
346A94.8Very high92.8Very high61 Ų6141 Ų4150%0.50428%0.282SS..THydrogen-bonded Turntrans-55.7131.9177.300000111.8S348 P354A346-S348 VanDerWaalsContact C-N 3.28Å; A346-S348 PolarHBondContact O-N 3.03Å; A346-P354 CarbonylContact C-O 3.54Å; A346-P354 VanDerWaalsContact CA-O 3.29Å; A346-P354 WeakPolarHBondContact CA-O 3.16Å
347G92.6Very high92.8Very high35 Ų3538.6 Ų38.636%0.36127%0.27SS..THydrogen-bonded Turntrans73.64.9179.500000116.5P345 L353 P354P345-G347 PolarHBondContact O-N 3.26Å; G347-L353 CarbonylContact C-O 3.07Å; G347-L353 WeakPolarHBondContact CA-O 3.06Å; G347-P354 PolarHBondContact N-O 3.49Å
348S90.8Very high92.7Very high54 Ų5441 Ų4138%0.37828%0.281SS..THydrogen-bonded Turntrans-75-23.9-173.459.50000115.6V344 P345 A346 G350 L353V344-S348 VanDerWaalsContact CG1-OG 3.26Å; V344-S348 WeakPolarHBondContact CG1-OG 3.45Å; P345-S348 VanDerWaalsContact O-CB 3.27Å; P345-S348 WeakPolarHBondContact O-CB 3.39Å; P345-S348 PolarHBondContact O-N 2.94Å; P345-S348 PolarHBondContact O-OG 3.12Å; A346-S348 VanDerWaalsContact C-N 3.28Å; A346-S348 PolarHBondContact O-N 3.03Å; S348-G350 VanDerWaalsContact C-N 3.3Å; S348-L353 PolarHBondContact N-O 3.32Å; S348-L353 VanDerWaalsContact N-O 3.16Å
349E84.8Confident92.7Very high128 Ų12840.5 Ų40.560%0.59828%0.277SS*.THydrogen-bonded Turntrans-90.16.8179.8-61.8-170.5167.500112.6K342 V344 L353K342-E349 IonicContact NZ-OE1 3.93Å; V344-E349 HydrophobicContact CG1-CG 3.9Å; E349-L353 PolarHBondContact N-O 2.87Å
350G79.1Confident92.7Very high36 Ų3641.5 Ų41.537%0.37128%0.282SS..BIsolated β-bridgetrans89.9171.3-18000000113.5S348 G352 L353S348-G350 VanDerWaalsContact C-N 3.3Å; G350-G352 PolarHBondContact O-N 3.01Å; G350-L353 PolarHBondContact O-N 3.12Å
351A84.4Confident92.7Very high112 Ų11241.5 Ų41.593%0.92628%0.282SS*.THydrogen-bonded Turntrans5311.9-175.800000116.5
352G82.1Confident92.7Very high49 Ų4945.8 Ų45.851%0.50530%0.298SS..THydrogen-bonded Turntrans85.714.6-172.700000114.6G350G350-G352 PolarHBondContact O-N 3.01Å
353L88.2Confident92.7Very high100 Ų10044.6 Ų44.652%0.52429%0.293SS..BIsolated β-bridgetrans-104.5149.2178.6-61.8178000112.4G347 S348 E349 G350G347-L353 CarbonylContact C-O 3.07Å; G347-L353 WeakPolarHBondContact CA-O 3.06Å; S348-L353 PolarHBondContact N-O 3.32Å; S348-L353 VanDerWaalsContact N-O 3.16Å; E349-L353 PolarHBondContact N-O 2.87Å; G350-L353 PolarHBondContact O-N 3.12Å
354P91.9Very high92.7Very high6 Ų645.9 Ų45.94%0.03930%0.298CS..SBendcis-65.8153.2-13.129.6-35.7000111.4V344 A346 G347 S356 E358V344-P354 HydrophobicContact CB-CG 4.24Å; V344-P354 HydrophobicContact CG1-CG 3.67Å; A346-P354 CarbonylContact C-O 3.54Å; A346-P354 VanDerWaalsContact CA-O 3.29Å; A346-P354 WeakPolarHBondContact CA-O 3.16Å; G347-P354 PolarHBondContact N-O 3.49Å; P354-S356 WeakPolarHBondContact CB-O 3.23Å; P354-S356 WeakPolarHBondContact CG-O 3.49Å; P354-S356 PolarHBondContact O-N 2.99Å; P354-E358 HydrophobicContact CB-CG 3.84Å; P354-E358 VanDerWaalsContact CB-OE1 3.31Å; P354-E358 WeakPolarHBondContact CB-OE1 3.37Å; P354-E358 HydrophobicContact CG-CG 4.09Å
355P91Very high92.8Very high111 Ų11147.7 Ų47.772%0.72131%0.307SS*.SBendtrans-71.9-14.4-173.230.1-36.5000113.6
356S94Very high92.8Very high33 Ų3346 Ų4623%0.23130%0.296CS..SBendtrans-140.9169.1168.369.90000108.1P354 G416P354-S356 WeakPolarHBondContact CB-O 3.23Å; P354-S356 WeakPolarHBondContact CG-O 3.49Å; P354-S356 PolarHBondContact O-N 2.99Å; S356-G416 WeakPolarHBondContact OG-CA 3.42Å; S356-G416 PolarHBondContact OG-N 3.41Å
357G94.8Very high92.7Very high4 Ų448.3 Ų48.34%0.04129%0.291CS..  trans-73.7132.617900000111.7V344 G416 F417V344-G357 CarbonylContact O-C 3.59Å; V344-G357 VanDerWaalsContact O-CA 3.28Å; V344-G357 WeakPolarHBondContact O-CA 3.46Å; G357-G416 PolarHBondContact O-N 3.38Å; G357-F417 VanDerWaalsContact CA-O 3.28Å; G357-F417 WeakPolarHBondContact CA-O 3.47Å; G357-F417 PolarHBondContact O-N 2.76Å
358E97Very high92.4Very high50 Ų5051.9 Ų51.923%0.23430%0.303CS..EExtended strand (participates in β ladder)trans-109.4132.3-176.6-63.9-178.2-17900112.1Y343 V344 P354 H360 V413 Y414Y343-E358 CarbonylContact C-O 3.52Å; Y343-E358 WeakPolarHBondContact CA-O 3.39Å; Y343-E358 VanDerWaalsContact CD2-O 3.23Å; Y343-E358 WeakPolarHBondContact CD2-O 3.25Å; V344-E358 HydrophobicContact CB-CB 4.39Å; V344-E358 PolarHBondContact N-O 3.45Å; V344-E358 PolarHBondContact O-N 3.2Å; P354-E358 HydrophobicContact CB-CG 3.84Å; P354-E358 VanDerWaalsContact CB-OE1 3.31Å; P354-E358 WeakPolarHBondContact CB-OE1 3.37Å; P354-E358 HydrophobicContact CG-CG 4.09Å; E358-H360 IonicContact OE2-CD2 2.69Å; E358-H360 IonicContact OE2-CE1 3.55Å; E358-H360 IonicContact OE2-NE2 2.73Å; E358-H360 PolarHBondContact OE2-NE2 3.08Å; E358-V413 HydrophobicContact CB-CG1 4.18Å; E358-V413 HydrophobicContact CG-CG1 4.41Å; E358-Y414 CarbonylContact C-O 3.58Å; E358-Y414 WeakPolarHBondContact CA-O 3.49Å
359L97.5Very high92.2Very high0 Ų049.7 Ų49.70%029%0.286CS..EExtended strand (participates in β ladder)trans-107117173.8179.762000110.1F361 V385 V413 Y414 L422 W472 L475L359-F361 HydrophobicContact CB-CE2 4.49Å; L359-F361 HydrophobicContact CD1-CZ 4.42Å; L359-F361 HydrophobicContact CD2-CE1 4.35Å; L359-F361 HydrophobicContact CD2-CE2 3.74Å; L359-F361 HydrophobicContact CD2-CZ 3.39Å; L359-F361 HydrophobicContact CG-CD2 4.46Å; L359-F361 HydrophobicContact CG-CE1 4.46Å; L359-F361 HydrophobicContact CG-CE2 3.64Å; L359-F361 HydrophobicContact CG-CZ 3.64Å; L359-V385 HydrophobicContact CD2-CG2 4.44Å; L359-V413 WeakPolarHBondContact O-CA 3.35Å; L359-Y414 PolarHBondContact N-O 2.99Å; L359-Y414 PolarHBondContact O-N 2.99Å; L359-L422 HydrophobicContact CD2-CD2 4Å; L359-W472 HydrophobicContact CD1-CZ3 4.44Å; L359-W472 HydrophobicContact CD2-CH2 3.65Å; L359-W472 HydrophobicContact CD2-CZ3 4.09Å; L359-L475 HydrophobicContact CD1-CD1 4.33Å; L359-L475 HydrophobicContact CD1-CD2 3.72Å
360H98.3Very high92.1Very high23 Ų2347.5 Ų47.511%0.10628%0.278CS..EExtended strand (participates in β ladder)trans-106.5130-174.1-69.9-125.5000110.7L341 K342 E358 W482L341-H360 WeakPolarHBondContact CA-O 3.37Å; K342-H360 HydrophobicContact CB-CB 4.14Å; K342-H360 PolarHBondContact N-O 3.41Å; K342-H360 PolarHBondContact O-N 3.41Å; E358-H360 IonicContact OE2-CD2 2.69Å; E358-H360 IonicContact OE2-CE1 3.55Å; E358-H360 IonicContact OE2-NE2 2.73Å; E358-H360 PolarHBondContact OE2-NE2 3.08Å; H360-W482 HydrophobicContact CB-CH2 3.7Å; H360-W482 HydrophobicContact CB-CZ3 4Å
361F98.4Very high91.9Very high0 Ų047.7 Ų47.70%027%0.273CS..EExtended strand (participates in β ladder)trans-119.5101.3175.7-56.1-93000109.8L341 L359 V363 V385 T411 M412 Y414 A427 L429 L447 W472L341-F361 HydrophobicContact CD2-CD1 3.35Å; L341-F361 HydrophobicContact CD2-CE1 3.8Å; L341-F361 HydrophobicContact CD2-CG 4.27Å; L359-F361 HydrophobicContact CB-CE2 4.49Å; L359-F361 HydrophobicContact CD1-CZ 4.42Å; L359-F361 HydrophobicContact CD2-CE1 4.35Å; L359-F361 HydrophobicContact CD2-CE2 3.74Å; L359-F361 HydrophobicContact CD2-CZ 3.39Å; L359-F361 HydrophobicContact CG-CD2 4.46Å; L359-F361 HydrophobicContact CG-CE1 4.46Å; L359-F361 HydrophobicContact CG-CE2 3.64Å; L359-F361 HydrophobicContact CG-CZ 3.64Å; F361-V363 PolarHBondContact O-N 2.79Å; F361-V385 HydrophobicContact CE2-CG2 3.93Å; F361-V385 HydrophobicContact CZ-CG2 3.93Å; F361-T411 CarbonylContact O-C 3.56Å; F361-T411 VanDerWaalsContact O-CA 3.3Å; F361-T411 WeakPolarHBondContact O-CA 3.39Å; F361-M412 HydrophobicContact CB-CB 4.34Å; F361-M412 PolarHBondContact N-O 3.39Å; F361-M412 PolarHBondContact O-N 3.37Å; F361-Y414 AromaticContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CE2 4.09Å; F361-Y414 AromaticContact CE2-CD2 3.51Å; F361-Y414 HydrophobicContact CE2-CD2 3.51Å; F361-Y414 AromaticContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CG 4.32Å; F361-A427 HydrophobicContact CE1-CB 3.36Å; F361-A427 HydrophobicContact CZ-CB 3.36Å; F361-L429 HydrophobicContact CD1-CD1 4.02Å; F361-L429 HydrophobicContact CE1-CD1 4.1Å; F361-L447 HydrophobicContact CD1-CD1 4.4Å; F361-L447 HydrophobicContact CE1-CD1 4.14Å; F361-W472 HydrophobicContact CE1-CZ3 4.48Å
362W98.6Very high91.3Very high90 Ų9043.2 Ų43.234%0.34123%0.233SC..EExtended strand (participates in β ladder)trans-87.297.8172.4179.725.2000109.7L339 S340 K364 W482L339-W362 CarbonylContact C-O 3.51Å; L339-W362 WeakPolarHBondContact CA-O 3.31Å; L339-W362 WeakPolarHBondContact CB-O 3.36Å; S340-W362 PolarHBondContact N-O 2.98Å; S340-W362 PolarHBondContact O-N 2.79Å; W362-K364 HydrophobicContact CD2-CG 4.01Å; W362-K364 VanDerWaalsContact CE3-CE 3.41Å; W362-K364 HydrophobicContact CE3-CG 4.46Å; W362-K364 HydrophobicContact CG-CG 4.36Å; W362-K364 HydrophobicContact CZ2-CG 4.22Å; W362-K364 PolarHBondContact O-N 2.98Å; W362-W482 HydrophobicContact CB-CH2 3.94Å; W362-W482 HydrophobicContact CB-CZ3 3.76Å
363V98.6Very high90.7Very high0 Ų048.6 Ų48.60%024%0.239CC..EExtended strand (participates in β ladder)trans-78.8108.5175.6-174.30000108.4L337 F361 V381 T397 F408 N409 H410 M412 L429L337-V363 HydrophobicContact CD1-CG1 4.18Å; F361-V363 PolarHBondContact O-N 2.79Å; V363-V381 HydrophobicContact CG1-CB 4.22Å; V363-V381 HydrophobicContact CG1-CG1 4.33Å; V363-V381 HydrophobicContact CG1-CG2 4.01Å; V363-V381 HydrophobicContact CG2-CG1 4.37Å; V363-T397 HydrophobicContact CB-CG2 4.43Å; V363-T397 HydrophobicContact CG1-CG2 4.38Å; V363-F408 HydrophobicContact CG1-CB 4.08Å; V363-F408 HydrophobicContact CG1-CD2 3.83Å; V363-F408 HydrophobicContact CG1-CG 4.18Å; V363-N409 WeakPolarHBondContact O-CA 3.32Å; V363-N409 PolarHBondContact O-N 3.24Å; V363-N409 VanDerWaalsContact O-N 3.09Å; V363-H410 PolarHBondContact N-O 3.4Å; V363-H410 PolarHBondContact O-N 3.27Å; V363-M412 HydrophobicContact CG2-CE 4.35Å; V363-L429 HydrophobicContact CG2-CD2 4.05Å
364K98.1Very high89.5Confident36 Ų3649.1 Ų49.116%0.15726%0.257CS..EExtended strand (participates in β ladder)trans-82.3-65.7-176.2-65.2173.8176.7171.60110.7A338 S340 W362 F408 N409 D484A338-K364 HydrophobicContact CB-CB 4.4Å; A338-K364 WeakPolarHBondContact O-CB 3.45Å; A338-K364 PolarHBondContact O-N 2.9Å; S340-K364 WeakPolarHBondContact OG-CE 3.5Å; S340-K364 PolarHBondContact OG-NZ 3.5Å; W362-K364 HydrophobicContact CD2-CG 4.01Å; W362-K364 VanDerWaalsContact CE3-CE 3.41Å; W362-K364 HydrophobicContact CE3-CG 4.46Å; W362-K364 HydrophobicContact CG-CG 4.36Å; W362-K364 HydrophobicContact CZ2-CG 4.22Å; W362-K364 PolarHBondContact O-N 2.98Å; K364-F408 PolarHBondContact O-N 3.12Å; K364-N409 PolarHBondContact O-N 3.3Å; K364-N409 PolarHBondContact O-OD1 3.27Å; K364-D484 IonicContact NZ-OD1 2.82Å; K364-D484 PolarHBondContact NZ-OD1 3.48Å; K364-D484 IonicContact NZ-OD2 2.77Å; K364-D484 PolarHBondContact NZ-OD2 2.86Å
365E98Very high88.5Confident39 Ų3951.4 Ų51.418%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-159.3168.8-174.463.4178.714400111.4A338 R367 P406 V407A338-E365 HydrophobicContact CB-CG 3.79Å; A338-E365 PolarHBondContact N-O 2.83Å; A338-E365 PolarHBondContact O-N 2.92Å; E365-R367 VanDerWaalsContact CD-NE 3.26Å; E365-R367 HydrophobicContact CG-CG 4.31Å; E365-R367 IonicContact OE1-CZ 3.6Å; E365-R367 IonicContact OE1-NE 3.91Å; E365-R367 PolarHBondContact OE1-NE 2.75Å; E365-R367 IonicContact OE1-NH2 3.59Å; E365-R367 PolarHBondContact OE1-NH2 3.47Å; E365-R367 IonicContact OE2-NE 2.68Å; E365-R367 PolarHBondContact OE2-NE 3.18Å; E365-P406 CarbonylContact C-O 3.54Å; E365-P406 WeakPolarHBondContact CA-O 3.18Å; E365-P406 WeakPolarHBondContact CB-O 3.16Å; E365-V407 HydrophobicContact CB-CB 4.42Å; E365-V407 HydrophobicContact CB-CG2 4.13Å
366A96.9Very high87.9Confident0 Ų049.3 Ų49.30%027%0.27CS..EExtended strand (participates in β ladder)trans-116.1152157.500000110.5L336 L337 L369 S405 P406 F408 L431 L489L336-A366 CarbonylContact O-C 3.36Å; L336-A366 WeakPolarHBondContact O-CA 3.38Å; L336-A366 WeakPolarHBondContact O-CB 3.19Å; L337-A366 HydrophobicContact CD1-CB 4.22Å; A366-L369 HydrophobicContact CB-CD1 4.3Å; A366-L369 HydrophobicContact CB-CD2 3.91Å; A366-L369 HydrophobicContact CB-CG 4.27Å; A366-S405 CarbonylContact O-C 3.54Å; A366-S405 WeakPolarHBondContact O-CA 3.41Å; A366-P406 HydrophobicContact CB-CG 4Å; A366-P406 PolarHBondContact N-O 2.97Å; A366-P406 WeakPolarHBondContact O-CD 3.29Å; A366-F408 HydrophobicContact CB-CE2 4.16Å; A366-L431 HydrophobicContact CB-CD2 4.34Å; A366-L489 HydrophobicContact CB-CD1 4.25Å
367R91.9Very high87.6Confident108 Ų10848 Ų4841%0.40826%0.26SS..EExtended strand (participates in β ladder)trans-128.9156.8-178-61.6-177.2-178.1177.33.6110.8G335 L336 E365 L369G335-R367 CarbonylContact C-O 3.59Å; G335-R367 VanDerWaalsContact CA-O 3.26Å; G335-R367 WeakPolarHBondContact CA-O 3.38Å; L336-R367 PolarHBondContact N-O 2.73Å; L336-R367 PolarHBondContact O-N 3.32Å; E365-R367 VanDerWaalsContact CD-NE 3.26Å; E365-R367 HydrophobicContact CG-CG 4.31Å; E365-R367 IonicContact OE1-CZ 3.6Å; E365-R367 IonicContact OE1-NE 3.91Å; E365-R367 PolarHBondContact OE1-NE 2.75Å; E365-R367 IonicContact OE1-NH2 3.59Å; E365-R367 PolarHBondContact OE1-NH2 3.47Å; E365-R367 IonicContact OE2-NE 2.68Å; E365-R367 PolarHBondContact OE2-NE 3.18Å; R367-L369 PolarHBondContact O-N 3.24Å
368D85.9Confident87.5Confident111 Ų11149.4 Ų49.459%0.59427%0.267SS*.SBendtrans54.537.2171.9-51.6-52.1000113.9G335 L370G335-D368 VanDerWaalsContact CA-O 3.29Å; G335-D368 WeakPolarHBondContact CA-O 3.48Å; D368-L370 PolarHBondContact O-N 2.92Å
369L87.7Confident87.5Confident7 Ų747 Ų474%0.03726%0.256CS..  trans-66.4127.5-175.1-65.8-175.8000112.3R334 A366 R367 P371 L377 T379 L404 P406 L431 L489R334-L369 WeakPolarHBondContact O-CA 3.3Å; A366-L369 HydrophobicContact CB-CD1 4.3Å; A366-L369 HydrophobicContact CB-CD2 3.91Å; A366-L369 HydrophobicContact CB-CG 4.27Å; R367-L369 PolarHBondContact O-N 3.24Å; L369-P371 VanDerWaalsContact O-CD 3.24Å; L369-P371 WeakPolarHBondContact O-CD 3.46Å; L369-L377 HydrophobicContact CB-CD1 4.01Å; L369-L377 HydrophobicContact CD1-CD1 4.1Å; L369-T379 HydrophobicContact CD1-CG2 4.03Å; L369-L404 HydrophobicContact CB-CB 4.5Å; L369-L404 VanDerWaalsContact CB-O 3.28Å; L369-L404 WeakPolarHBondContact CB-O 3.49Å; L369-L404 VanDerWaalsContact CG-O 3.28Å; L369-L404 WeakPolarHBondContact CG-O 3.43Å; L369-L404 PolarHBondContact N-O 3.23Å; L369-P406 VanDerWaalsContact CD1-CD 3.46Å; L369-P406 HydrophobicContact CD1-CG 3.69Å; L369-L431 HydrophobicContact CD1-CD2 3.82Å; L369-L431 HydrophobicContact CD2-CD2 3.46Å; L369-L431 VanDerWaalsContact CD2-CD2 3.46Å; L369-L431 HydrophobicContact CG-CD2 4.32Å; L369-L489 HydrophobicContact CD2-CD1 3.55Å
370L81.8Confident87.6Confident82 Ų8247.2 Ų47.243%0.42926%0.257SS..  trans-95.8100.6178.8-62.1-178.6000110.6L331 R334 D368L331-L370 HydrophobicContact CD1-CB 4.44Å; L331-L370 HydrophobicContact CD1-CD1 3.8Å; R334-L370 HydrophobicContact CB-CB 4.21Å; R334-L370 HydrophobicContact CG-CB 4.29Å; R334-L370 PolarHBondContact O-N 2.87Å; R334-L370 VanDerWaalsContact O-N 3.16Å; D368-L370 PolarHBondContact O-N 2.92Å
371P75.9Confident87.6Confident40 Ų4046.1 Ų46.126%0.2625%0.251SS..  trans-73140-16931.7-37.5000112.2L369 R373 L377 L404L369-P371 VanDerWaalsContact O-CD 3.24Å; L369-P371 WeakPolarHBondContact O-CD 3.46Å; P371-R373 WeakPolarHBondContact CB-O 3.42Å; P371-R373 PolarHBondContact O-N 2.69Å; P371-R373 VanDerWaalsContact O-N 3.12Å; P371-L377 HydrophobicContact CB-CD1 4Å; P371-L377 HydrophobicContact CB-CD2 3.76Å; P371-L377 HydrophobicContact CB-CG 3.89Å; P371-L404 HydrophobicContact CB-CD2 4.18Å; P371-L404 HydrophobicContact CG-CD2 4.18Å
372L71.3Confident87.5Confident18 Ų1846.7 Ų46.79%0.09425%0.254CS..SBendtrans-62.1-17.1179.2-77156000115.1P328 D329 R334 R440 L442P328-L372 HydrophobicContact CB-CD2 4.41Å; D329-L372 VanDerWaalsContact OD1-CD2 3.25Å; D329-L372 WeakPolarHBondContact OD1-CD2 3.33Å; R334-L372 VanDerWaalsContact NH1-CG 3.34Å; L372-R440 HydrophobicContact CD1-CB 4.23Å; L372-R440 HydrophobicContact CD1-CG 3.77Å; L372-L442 HydrophobicContact CD1-CD2 3.62Å; L372-L442 HydrophobicContact CD1-CG 4.46Å; L372-L442 HydrophobicContact CG-CD2 3.98Å
373R69.3Low87.5Confident163 Ų16342.4 Ų42.462%0.61524%0.238SC*.SBendtrans-151.1152.8-179.7-67.2178.4-68.8-174.6-2107.5P371 G375 D433P371-R373 WeakPolarHBondContact CB-O 3.42Å; P371-R373 PolarHBondContact O-N 2.69Å; P371-R373 VanDerWaalsContact O-N 3.12Å; R373-G375 PolarHBondContact O-N 3.15Å; R373-D433 IonicContact NH2-OD2 2.64Å
374A63.7Low87.5Confident111 Ų11142.9 Ų42.992%0.91724%0.24SC*.SBendtrans-60.2122.9171.800000110.6
375G70.6Confident87.4Confident54 Ų5441.3 Ų41.356%0.55723%0.233SC*.SBendtrans150.4177.2-175.600000112R373R373-G375 PolarHBondContact O-N 3.15Å
376S77Confident87.4Confident66 Ų6639.6 Ų39.646%0.46223%0.225SC..  trans-90.3138.8172.862.60000110.5
377L87.8Confident87.2Confident6 Ų642.9 Ų42.93%0.03125%0.247CC..  trans-87.1146-178.6-59.5168.6000112.1L369 P371 T379 R402 S403 L404 D433 L442L369-L377 HydrophobicContact CB-CD1 4.01Å; L369-L377 HydrophobicContact CD1-CD1 4.1Å; P371-L377 HydrophobicContact CB-CD1 4Å; P371-L377 HydrophobicContact CB-CD2 3.76Å; P371-L377 HydrophobicContact CB-CG 3.89Å; L377-T379 HydrophobicContact CB-CG2 3.6Å; L377-T379 HydrophobicContact CD1-CG2 4.31Å; L377-R402 CarbonylContact O-C 3.56Å; L377-R402 VanDerWaalsContact O-CA 3.26Å; L377-R402 WeakPolarHBondContact O-CA 3.49Å; L377-R402 PolarHBondContact O-N 3.22Å; L377-S403 PolarHBondContact O-N 2.93Å; L377-L404 HydrophobicContact CB-CD2 4.46Å; L377-L404 HydrophobicContact CD1-CD2 3.69Å; L377-L404 HydrophobicContact CG-CD2 3.8Å; L377-D433 HydrophobicContact CD2-CB 4.22Å; L377-L442 HydrophobicContact CD1-CD1 3.91Å; L377-L442 HydrophobicContact CD1-CD2 4.24Å; L377-L442 HydrophobicContact CD2-CD2 4.24Å
378D94.2Very high87.3Confident34 Ų3441.3 Ų41.318%0.18225%0.247CC..  trans-109.292.4170.7-86.818.9000108.3V399 V400 R401 R402 D433 H434D378-V399 HydrophobicContact CB-CG1 4.14Å; D378-V400 CarbonylContact C-O 3.57Å; D378-R401 HydrophobicContact CB-CG 4.38Å; D378-R401 VanDerWaalsContact OD1-CA 3.26Å; D378-R401 WeakPolarHBondContact OD1-CA 3.19Å; D378-R401 WeakPolarHBondContact OD1-CB 3.4Å; D378-R401 WeakPolarHBondContact OD2-CD 3.48Å; D378-R401 VanDerWaalsContact OD2-CG 3.27Å; D378-R401 WeakPolarHBondContact OD2-CG 3.3Å; D378-R401 IonicContact OD2-NE 2.76Å; D378-R401 PolarHBondContact OD2-NE 3.02Å; D378-R402 PolarHBondContact OD1-N 2.7Å; D378-D433 PolarHBondContact N-OD1 2.75Å; D378-H434 HydrophobicContact CB-CB 4.27Å; D378-H434 WeakPolarHBondContact O-CA 3.07Å; D378-H434 WeakPolarHBondContact O-CB 2.94Å; D378-H434 PolarHBondContact O-N 3.09Å
379T96.5Very high87.6Confident0 Ų040.5 Ų40.50%024%0.242CC..EExtended strand (participates in β ladder)trans-102.3149.2-161.1610000115.1L369 L377 V399 V400 P406 W432 L442L369-T379 HydrophobicContact CD1-CG2 4.03Å; L377-T379 HydrophobicContact CB-CG2 3.6Å; L377-T379 HydrophobicContact CD1-CG2 4.31Å; T379-V399 CarbonylContact O-C 3.57Å; T379-V399 VanDerWaalsContact O-CA 3.29Å; T379-V399 WeakPolarHBondContact O-CA 3.33Å; T379-V400 PolarHBondContact N-O 2.84Å; T379-V400 PolarHBondContact O-N 3.31Å; T379-P406 HydrophobicContact CG2-CG 4.4Å; T379-P406 WeakPolarHBondContact OG1-CB 3.19Å; T379-P406 VanDerWaalsContact OG1-CG 3.24Å; T379-P406 WeakPolarHBondContact OG1-CG 3.33Å; T379-W432 CarbonylContact C-O 3.54Å; T379-W432 VanDerWaalsContact CA-O 3.22Å; T379-W432 WeakPolarHBondContact CA-O 3.4Å; T379-L442 HydrophobicContact CG2-CD1 3.92Å
380Y98.1Very high87.9Confident4 Ų442.2 Ų42.22%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-141.7153.1162.866.1-93.5000111.2Q382 R396 T397 V399 W432 H434Y380-Q382 HydrophobicContact CD2-CB 4.45Å; Y380-Q382 HydrophobicContact CE2-CB 4.2Å; Y380-R396 VanDerWaalsContact CZ-NH1 3.35Å; Y380-R396 PolarHBondContact OH-NH1 3.4Å; Y380-R396 PolarHBondContact OH-NH2 3.35Å; Y380-T397 WeakPolarHBondContact CA-OG1 3.23Å; Y380-V399 HydrophobicContact CD1-CG2 4.05Å; Y380-W432 HydrophobicContact CD1-CB 4.19Å; Y380-W432 HydrophobicContact CD2-CB 4.13Å; Y380-W432 HydrophobicContact CD2-CG 4.46Å; Y380-W432 HydrophobicContact CE1-CB 3.66Å; Y380-W432 HydrophobicContact CE1-CG 4.44Å; Y380-W432 HydrophobicContact CE2-CB 3.54Å; Y380-W432 AromaticContact CE2-CD1 3.65Å; Y380-W432 HydrophobicContact CE2-CD2 4.44Å; Y380-W432 AromaticContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CG-CB 4.4Å; Y380-W432 AromaticContact CZ-CG 3.58Å; Y380-W432 PolarHBondContact N-O 2.93Å; Y380-W432 PolarHBondContact O-N 2.92Å; Y380-W432 WeakPolarHBondContact OH-CB 3.42Å; Y380-H434 HydrophobicContact CD1-CB 4.2Å; Y380-H434 HydrophobicContact CE1-CB 4.18Å
381V98.4Very high88.3Confident0 Ų044.3 Ų44.30%026%0.262CS..EExtended strand (participates in β ladder)trans-98.5144.4170.3176.90000109.9L337 V363 R396 T397 F408 L429 S430 L431L337-V381 HydrophobicContact CD1-CG2 3.96Å; V363-V381 HydrophobicContact CG1-CB 4.22Å; V363-V381 HydrophobicContact CG1-CG1 4.33Å; V363-V381 HydrophobicContact CG1-CG2 4.01Å; V363-V381 HydrophobicContact CG2-CG1 4.37Å; V381-R396 CarbonylContact O-C 3.6Å; V381-R396 VanDerWaalsContact O-CA 3.32Å; V381-R396 WeakPolarHBondContact O-CA 3.27Å; V381-T397 HydrophobicContact CB-CG2 3.81Å; V381-T397 PolarHBondContact N-OG1 2.88Å; V381-T397 PolarHBondContact O-N 3.43Å; V381-F408 HydrophobicContact CG2-CD2 4.13Å; V381-F408 HydrophobicContact CG2-CE1 4.47Å; V381-F408 HydrophobicContact CG2-CE2 3.75Å; V381-F408 HydrophobicContact CG2-CZ 3.95Å; V381-L429 HydrophobicContact CG1-CB 4.31Å; V381-L429 HydrophobicContact CG1-CD2 4.48Å; V381-S430 CarbonylContact C-O 3.42Å; V381-S430 WeakPolarHBondContact CA-O 3.37Å; V381-L431 HydrophobicContact CG2-CD1 3.48Å; V381-L431 VanDerWaalsContact CG2-CD1 3.48Å
382Q97.9Very high89Confident12 Ų1247 Ų476%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-130.8125.2-179.3171-174-89.100109.6Y380 F384 R394 Q395 R396 S430Y380-Q382 HydrophobicContact CD2-CB 4.45Å; Y380-Q382 HydrophobicContact CE2-CB 4.2Å; Q382-F384 HydrophobicContact CG-CE2 4.15Å; Q382-R394 HydrophobicContact CG-CG 3.73Å; Q382-R394 VanDerWaalsContact OE1-CD 3.32Å; Q382-Q395 WeakPolarHBondContact CA-O 3.48Å; Q382-R396 HydrophobicContact CB-CG 3.93Å; Q382-R396 HydrophobicContact CG-CG 4.01Å; Q382-R396 VanDerWaalsContact OE1-CZ 3.31Å; Q382-S430 PolarHBondContact N-O 2.89Å; Q382-S430 PolarHBondContact NE2-OG 2.88Å; Q382-S430 PolarHBondContact O-N 3.37Å; Q382-S430 PolarHBondContact O-OG 3.33Å
383C98.3Very high90Very high0 Ų047.1 Ų47.10%029%0.29CS..EExtended strand (participates in β ladder)trans-108.3149.8179.5-165.30000111.9R394 Q395 M412 Y414 E428 L429C383-R394 WeakPolarHBondContact O-CA 3.04Å; C383-Q395 PolarHBondContact N-O 3.1Å; C383-Q395 PolarHBondContact O-N 3.26Å; C383-M412 HydrophobicContact CB-SD 3.41Å; C383-M412 WeakPolarHBondContact CB-SD 3.41Å; C383-Y414 HydrophobicContact CB-CE2 4.34Å; C383-Y414 PolarHBondContact O-OH 3.41Å; C383-E428 WeakPolarHBondContact CA-O 3.44Å; C383-L429 HydrophobicContact CB-CG 4.4Å
384F97.6Very high91.3Very high9 Ų943 Ų434%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-138.5154.5161.3-67.5-95.5000108.2Q382 L386 D389 S390 R394 A427 E428Q382-F384 HydrophobicContact CG-CE2 4.15Å; F384-L386 HydrophobicContact CB-CD2 4.4Å; F384-D389 WeakPolarHBondContact CE1-O 3.5Å; F384-S390 WeakPolarHBondContact CE1-O 3.27Å; F384-R394 HydrophobicContact CD1-CB 3.98Å; F384-R394 HydrophobicContact CD1-CG 4.41Å; F384-R394 HydrophobicContact CD2-CG 4.44Å; F384-R394 HydrophobicContact CE1-CB 3.58Å; F384-R394 HydrophobicContact CE1-CG 3.96Å; F384-R394 HydrophobicContact CE2-CG 4.02Å; F384-R394 HydrophobicContact CZ-CB 3.92Å; F384-R394 HydrophobicContact CZ-CG 3.77Å; F384-A427 CarbonylContact O-C 3.44Å; F384-A427 WeakPolarHBondContact O-CA 3.46Å; F384-E428 PolarHBondContact N-O 2.96Å; F384-E428 VanDerWaalsContact N-O 3.15Å; F384-E428 PolarHBondContact O-N 3.47Å
385V97.4Very high93Very high4 Ų440.4 Ų40.42%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-116.195.6169.3-1750000108.2L359 F361 D388 Y414 F417 A425 A427L359-V385 HydrophobicContact CD2-CG2 4.44Å; F361-V385 HydrophobicContact CE2-CG2 3.93Å; F361-V385 HydrophobicContact CZ-CG2 3.93Å; V385-D388 PolarHBondContact O-N 3.45Å; V385-D388 VanDerWaalsContact O-N 3.12Å; V385-Y414 HydrophobicContact CB-CD1 4.23Å; V385-Y414 HydrophobicContact CB-CE1 4.37Å; V385-Y414 HydrophobicContact CG2-CD1 3.66Å; V385-Y414 HydrophobicContact CG2-CD2 3.96Å; V385-Y414 HydrophobicContact CG2-CE1 3.81Å; V385-Y414 HydrophobicContact CG2-CE2 4.09Å; V385-Y414 HydrophobicContact CG2-CG 3.73Å; V385-F417 HydrophobicContact CB-CZ 3.98Å; V385-F417 HydrophobicContact CG1-CE1 3.58Å; V385-F417 HydrophobicContact CG1-CE2 4.42Å; V385-F417 HydrophobicContact CG1-CZ 3.48Å; V385-F417 VanDerWaalsContact CG1-CZ 3.48Å; V385-A425 HydrophobicContact CG1-CB 4.05Å; V385-A427 HydrophobicContact CG2-CB 4.34Å
386L96.4Very high94.2Very high2 Ų242.2 Ų42.21%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-65.7141.3-177.8-57.5176.2000110F384 D389 A425 C426 E428 W461F384-L386 HydrophobicContact CB-CD2 4.4Å; L386-D389 HydrophobicContact CD2-CB 4.05Å; L386-A425 CarbonylContact O-C 3.48Å; L386-A425 VanDerWaalsContact O-CA 3.23Å; L386-A425 WeakPolarHBondContact O-CA 3.38Å; L386-C426 HydrophobicContact CB-CB 4.28Å; L386-C426 VanDerWaalsContact CB-O 3.29Å; L386-C426 WeakPolarHBondContact CB-O 3.19Å; L386-C426 PolarHBondContact N-O 3.33Å; L386-C426 PolarHBondContact O-N 3.34Å; L386-E428 HydrophobicContact CD1-CB 4.33Å; L386-W461 HydrophobicContact CB-CD2 4.18Å; L386-W461 HydrophobicContact CB-CE3 3.73Å; L386-W461 HydrophobicContact CB-CH2 3.78Å; L386-W461 HydrophobicContact CB-CZ2 4.24Å; L386-W461 HydrophobicContact CB-CZ3 3.52Å; L386-W461 HydrophobicContact CD1-CB 4Å; L386-W461 HydrophobicContact CD1-CD2 3.8Å; L386-W461 HydrophobicContact CD1-CE3 3.76Å; L386-W461 HydrophobicContact CD1-CG 3.95Å; L386-W461 HydrophobicContact CD1-CZ3 4.44Å; L386-W461 HydrophobicContact CG-CE3 4.4Å
387P93.9Very high95.3Very high69 Ų6939.7 Ų39.745%0.44822%0.215SC..THydrogen-bonded Turncis-80.2-3.517.431.5-37.7000117.2D389 Y455 W461P387-D389 PolarHBondContact O-N 3.32Å; P387-D389 VanDerWaalsContact O-N 3.12Å; P387-Y455 HydrophobicContact CG-CD2 3.95Å; P387-Y455 HydrophobicContact CG-CE2 3.88Å; P387-W461 HydrophobicContact CB-CH2 3.99Å; P387-W461 HydrophobicContact CB-CZ2 3.95Å
388D93.8Very high95.7Very high76 Ų7650 Ų5041%0.40625%0.253SS..BIsolated β-bridgetrans-75.3102.3175.4-169.5-31.2000111.2V385 S390 S393V385-D388 PolarHBondContact O-N 3.45Å; V385-D388 VanDerWaalsContact O-N 3.12Å; D388-S390 WeakPolarHBondContact OD1-CA 3.49Å; D388-S390 WeakPolarHBondContact OD1-CB 3.17Å; D388-S390 PolarHBondContact OD1-N 3.07Å; D388-S390 PolarHBondContact OD1-OG 2.9Å; D388-S393 VanDerWaalsContact CG-CB 3.41Å; D388-S393 VanDerWaalsContact CG-OG 3.24Å; D388-S393 PolarHBondContact O-OG 2.83Å; D388-S393 WeakPolarHBondContact OD1-CB 3.25Å; D388-S393 PolarHBondContact OD1-OG 3.28Å
389D92.4Very high95.9Very high94 Ų9450.5 Ų50.550%0.50326%0.258SS..  trans-99.511.9171.574.8-17000114F384 L386 P387F384-D389 WeakPolarHBondContact CE1-O 3.5Å; L386-D389 HydrophobicContact CD2-CB 4.05Å; P387-D389 PolarHBondContact O-N 3.32Å; P387-D389 VanDerWaalsContact O-N 3.12Å
390S92.9Very high95.9Very high42 Ų4252.2 Ų52.229%0.29427%0.268SS..  trans-64.2151.5-173.677.20000112.1F384 D388 A392 S393 R394F384-S390 WeakPolarHBondContact CE1-O 3.27Å; D388-S390 WeakPolarHBondContact OD1-CA 3.49Å; D388-S390 WeakPolarHBondContact OD1-CB 3.17Å; D388-S390 PolarHBondContact OD1-N 3.07Å; D388-S390 PolarHBondContact OD1-OG 2.9Å; S390-A392 PolarHBondContact O-N 3.46Å; S390-A392 PolarHBondContact OG-N 3.01Å; S390-S393 PolarHBondContact O-N 3.36Å; S390-S393 PolarHBondContact O-OG 2.97Å; S390-S393 PolarHBondContact OG-N 2.97Å; S390-S393 VanDerWaalsContact OG-N 3.17Å; S390-S393 PolarHBondContact OG-OG 2.88Å; S390-R394 PolarHBondContact O-N 3.12Å
391Q91.3Very high95.7Very high127 Ų12759.8 Ų59.859%0.59330%0.297SS*.THydrogen-bonded Turntrans-67.4-5.7175.1-60-62.5-7800113.2
392A90.7Very high95.4Very high96 Ų9669.3 Ų69.379%0.79333%0.333SS*.THydrogen-bonded Turntrans-94.7-38.817900000112.9S390 R394S390-A392 PolarHBondContact O-N 3.46Å; S390-A392 PolarHBondContact OG-N 3.01Å; A392-R394 VanDerWaalsContact C-N 3.29Å
393S92.3Very high94.9Very high20 Ų2070.3 Ų70.314%0.1434%0.341CS..THydrogen-bonded Turntrans-74.1-19.1175.264.40000113.2D388 S390 Q395 Y414D388-S393 VanDerWaalsContact CG-CB 3.41Å; D388-S393 VanDerWaalsContact CG-OG 3.24Å; D388-S393 PolarHBondContact O-OG 2.83Å; D388-S393 WeakPolarHBondContact OD1-CB 3.25Å; D388-S393 PolarHBondContact OD1-OG 3.28Å; S390-S393 PolarHBondContact O-N 3.36Å; S390-S393 PolarHBondContact O-OG 2.97Å; S390-S393 PolarHBondContact OG-N 2.97Å; S390-S393 VanDerWaalsContact OG-N 3.17Å; S390-S393 PolarHBondContact OG-OG 2.88Å; S393-Q395 PolarHBondContact O-N 2.91Å; S393-Y414 WeakPolarHBondContact O-CE1 3.16Å; S393-Y414 VanDerWaalsContact O-CZ 3.3Å; S393-Y414 PolarHBondContact O-OH 2.92Å
394R96.4Very high94.4Very high76 Ų7673.9 Ų73.929%0.28736%0.36SS..  trans-64.6112.8-178.8-175.7-173.456.3-155.7-18.5113.2Q382 C383 F384 S390 A392Q382-R394 HydrophobicContact CG-CG 3.73Å; Q382-R394 VanDerWaalsContact OE1-CD 3.32Å; C383-R394 WeakPolarHBondContact O-CA 3.04Å; F384-R394 HydrophobicContact CD1-CB 3.98Å; F384-R394 HydrophobicContact CD1-CG 4.41Å; F384-R394 HydrophobicContact CD2-CG 4.44Å; F384-R394 HydrophobicContact CE1-CB 3.58Å; F384-R394 HydrophobicContact CE1-CG 3.96Å; F384-R394 HydrophobicContact CE2-CG 4.02Å; F384-R394 HydrophobicContact CZ-CB 3.92Å; F384-R394 HydrophobicContact CZ-CG 3.77Å; S390-R394 PolarHBondContact O-N 3.12Å; A392-R394 VanDerWaalsContact C-N 3.29Å
395Q98.2Very high94.1Very high58 Ų5876.3 Ų76.327%0.27138%0.378SS..EExtended strand (participates in β ladder)trans-98.2156.7170.5-62.4-173.741.900111.6Q382 C383 S393 M412 V413 Y414Q382-Q395 WeakPolarHBondContact CA-O 3.48Å; C383-Q395 PolarHBondContact N-O 3.1Å; C383-Q395 PolarHBondContact O-N 3.26Å; S393-Q395 PolarHBondContact O-N 2.91Å; Q395-M412 HydrophobicContact CB-CB 4.16Å; Q395-M412 HydrophobicContact CB-CG 3.94Å; Q395-M412 HydrophobicContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact OE1-CB 3.3Å; Q395-V413 PolarHBondContact NE2-O 2.79Å; Q395-Y414 HydrophobicContact CB-CE2 4.28Å; Q395-Y414 HydrophobicContact CG-CE2 4.1Å; Q395-Y414 PolarHBondContact N-OH 3Å
396R97.8Very high94Very high92 Ų9276.1 Ų76.135%0.34738%0.377SS..EExtended strand (participates in β ladder)trans-150.6141.7-173.4-79.4-176.5164.3-148.1-3.3112.2Y380 V381 Q382Y380-R396 VanDerWaalsContact CZ-NH1 3.35Å; Y380-R396 PolarHBondContact OH-NH1 3.4Å; Y380-R396 PolarHBondContact OH-NH2 3.35Å; V381-R396 CarbonylContact O-C 3.6Å; V381-R396 VanDerWaalsContact O-CA 3.32Å; V381-R396 WeakPolarHBondContact O-CA 3.27Å; Q382-R396 HydrophobicContact CB-CG 3.93Å; Q382-R396 HydrophobicContact CG-CG 4.01Å; Q382-R396 VanDerWaalsContact OE1-CZ 3.31Å
397T98.4Very high94.1Very high12 Ų1279.6 Ų79.67%0.07440%0.398CS..PPolyproline II helixtrans-71168.7169.769.60000111.2V363 Y380 V381 F408 H410 M412V363-T397 HydrophobicContact CB-CG2 4.43Å; V363-T397 HydrophobicContact CG1-CG2 4.38Å; Y380-T397 WeakPolarHBondContact CA-OG1 3.23Å; V381-T397 HydrophobicContact CB-CG2 3.81Å; V381-T397 PolarHBondContact N-OG1 2.88Å; V381-T397 PolarHBondContact O-N 3.43Å; T397-F408 HydrophobicContact CG2-CB 4.09Å; T397-F408 HydrophobicContact CG2-CD1 4.09Å; T397-F408 HydrophobicContact CG2-CG 4.17Å; T397-F408 WeakPolarHBondContact OG1-CD1 3.39Å; T397-H410 HydrophobicContact CG2-CB 4.14Å; T397-M412 HydrophobicContact CG2-CE 3.6Å
398R96.9Very high94.3Very high222 Ų22277.3 Ų77.384%0.83838%0.381SS*.PPolyproline II helixtrans-63.7159.2159.6-64.4-179.4179.3178.60.2110.4
399V97.5Very high94.4Very high45 Ų4578.6 Ų78.627%0.27339%0.388SS..PPolyproline II helixtrans-81.6117.5173.9-173.80000110D378 T379 Y380 R401 H434D378-V399 HydrophobicContact CB-CG1 4.14Å; T379-V399 CarbonylContact O-C 3.57Å; T379-V399 VanDerWaalsContact O-CA 3.29Å; T379-V399 WeakPolarHBondContact O-CA 3.33Å; Y380-V399 HydrophobicContact CD1-CG2 4.05Å; V399-R401 HydrophobicContact CG1-CG 4.32Å; V399-H434 HydrophobicContact CG1-CB 4.07Å
400V97.1Very high94.7Very high36 Ų3677 Ų7722%0.21838%0.377CS..BIsolated β-bridgetrans-91.9115.2173.8-178.40000108.3D378 T379 P406 V407 F408D378-V400 CarbonylContact C-O 3.57Å; T379-V400 PolarHBondContact N-O 2.84Å; T379-V400 PolarHBondContact O-N 3.31Å; V400-P406 HydrophobicContact CB-CB 3.8Å; V400-P406 HydrophobicContact CG1-CB 3.64Å; V400-P406 HydrophobicContact CG2-CB 4.37Å; V400-V407 VanDerWaalsContact CG2-O 3.3Å; V400-V407 WeakPolarHBondContact CG2-O 3.33Å; V400-F408 HydrophobicContact CB-CE1 4.16Å; V400-F408 HydrophobicContact CG2-CD1 3.53Å; V400-F408 HydrophobicContact CG2-CE1 3.65Å; V400-F408 HydrophobicContact CG2-CG 4.45Å
401R94.9Very high95Very high163 Ų16378 Ų7862%0.61538%0.382SS*.  trans-90.5148.8-170.5-63.5-161.8174.384.90113.8D378 V399 S403D378-R401 HydrophobicContact CB-CG 4.38Å; D378-R401 VanDerWaalsContact OD1-CA 3.26Å; D378-R401 WeakPolarHBondContact OD1-CA 3.19Å; D378-R401 WeakPolarHBondContact OD1-CB 3.4Å; D378-R401 WeakPolarHBondContact OD2-CD 3.48Å; D378-R401 VanDerWaalsContact OD2-CG 3.27Å; D378-R401 WeakPolarHBondContact OD2-CG 3.3Å; D378-R401 IonicContact OD2-NE 2.76Å; D378-R401 PolarHBondContact OD2-NE 3.02Å; V399-R401 HydrophobicContact CG1-CG 4.32Å; R401-S403 VanDerWaalsContact C-N 3.33Å; R401-S403 PolarHBondContact O-N 3.16Å
402R90.7Very high95.3Very high201 Ų20172 Ų7276%0.75835%0.353SS*.SBendtrans51.337.4171.8-55.8-176.1176.7171-2.2116L377 D378L377-R402 CarbonylContact O-C 3.56Å; L377-R402 VanDerWaalsContact O-CA 3.26Å; L377-R402 WeakPolarHBondContact O-CA 3.49Å; L377-R402 PolarHBondContact O-N 3.22Å; D378-R402 PolarHBondContact OD1-N 2.7Å
403S88.8Confident95.6Very high33 Ų3369.9 Ų69.923%0.23133%0.331CS..  trans-125.7145.5179.9-168.30000113.3L377 R401 S405L377-S403 PolarHBondContact O-N 2.93Å; R401-S403 VanDerWaalsContact C-N 3.33Å; R401-S403 PolarHBondContact O-N 3.16Å; S403-S405 PolarHBondContact OG-N 3.06Å; S403-S405 PolarHBondContact OG-O 2.91Å
404L86.9Confident95.8Very high74 Ų7469.6 Ų69.639%0.38733%0.327SS..SBendtrans-99.2-5.8165.4-58.4-177.9000112.5L369 P371 L377L369-L404 HydrophobicContact CB-CB 4.5Å; L369-L404 VanDerWaalsContact CB-O 3.28Å; L369-L404 WeakPolarHBondContact CB-O 3.49Å; L369-L404 VanDerWaalsContact CG-O 3.28Å; L369-L404 WeakPolarHBondContact CG-O 3.43Å; L369-L404 PolarHBondContact N-O 3.23Å; P371-L404 HydrophobicContact CB-CD2 4.18Å; P371-L404 HydrophobicContact CG-CD2 4.18Å; L377-L404 HydrophobicContact CB-CD2 4.46Å; L377-L404 HydrophobicContact CD1-CD2 3.69Å; L377-L404 HydrophobicContact CG-CD2 3.8Å
405S91.3Very high95.8Very high61 Ų6171.7 Ų71.743%0.42734%0.343SS..SBendtrans-130.473.8168.6-55.50000109A366 S403A366-S405 CarbonylContact O-C 3.54Å; A366-S405 WeakPolarHBondContact O-CA 3.41Å; S403-S405 PolarHBondContact OG-N 3.06Å; S403-S405 PolarHBondContact OG-O 2.91Å
406P96.4Very high95.6Very high0 Ų071.5 Ų71.50%036%0.357CS..  trans-77.5122.7-175.630.4-36.2000112E365 A366 L369 T379 V400 F408E365-P406 CarbonylContact C-O 3.54Å; E365-P406 WeakPolarHBondContact CA-O 3.18Å; E365-P406 WeakPolarHBondContact CB-O 3.16Å; A366-P406 HydrophobicContact CB-CG 4Å; A366-P406 PolarHBondContact N-O 2.97Å; A366-P406 WeakPolarHBondContact O-CD 3.29Å; L369-P406 VanDerWaalsContact CD1-CD 3.46Å; L369-P406 HydrophobicContact CD1-CG 3.69Å; T379-P406 HydrophobicContact CG2-CG 4.4Å; T379-P406 WeakPolarHBondContact OG1-CB 3.19Å; T379-P406 VanDerWaalsContact OG1-CG 3.24Å; T379-P406 WeakPolarHBondContact OG1-CG 3.33Å; V400-P406 HydrophobicContact CB-CB 3.8Å; V400-P406 HydrophobicContact CG1-CB 3.64Å; V400-P406 HydrophobicContact CG2-CB 4.37Å; P406-F408 HydrophobicContact CB-CE1 4.13Å; P406-F408 HydrophobicContact CB-CE2 4.12Å; P406-F408 HydrophobicContact CB-CZ 3.68Å; P406-F408 HydrophobicContact CG-CE1 4.48Å; P406-F408 HydrophobicContact CG-CE2 3.82Å; P406-F408 HydrophobicContact CG-CZ 3.56Å; P406-F408 WeakPolarHBondContact O-CE2 3.29Å
407V97.9Very high95.4Very high75 Ų7568.9 Ų68.946%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-89.1121.9170.9-177.60000109.3E365 V400 N409E365-V407 HydrophobicContact CB-CB 4.42Å; E365-V407 HydrophobicContact CB-CG2 4.13Å; V400-V407 VanDerWaalsContact CG2-O 3.3Å; V400-V407 WeakPolarHBondContact CG2-O 3.33Å; V407-N409 HydrophobicContact CG1-CB 4.42Å; V407-N409 WeakPolarHBondContact CG1-ND2 3.41Å
408F97.9Very high95.1Very high21 Ų2169.3 Ų69.39%0.09236%0.355CS..EExtended strand (participates in β ladder)trans-99.9-40.9-178.3-59.5-71000112.7V363 K364 A366 V381 T397 V400 P406 H410 L431V363-F408 HydrophobicContact CG1-CB 4.08Å; V363-F408 HydrophobicContact CG1-CD2 3.83Å; V363-F408 HydrophobicContact CG1-CG 4.18Å; K364-F408 PolarHBondContact O-N 3.12Å; A366-F408 HydrophobicContact CB-CE2 4.16Å; V381-F408 HydrophobicContact CG2-CD2 4.13Å; V381-F408 HydrophobicContact CG2-CE1 4.47Å; V381-F408 HydrophobicContact CG2-CE2 3.75Å; V381-F408 HydrophobicContact CG2-CZ 3.95Å; T397-F408 HydrophobicContact CG2-CB 4.09Å; T397-F408 HydrophobicContact CG2-CD1 4.09Å; T397-F408 HydrophobicContact CG2-CG 4.17Å; T397-F408 WeakPolarHBondContact OG1-CD1 3.39Å; V400-F408 HydrophobicContact CB-CE1 4.16Å; V400-F408 HydrophobicContact CG2-CD1 3.53Å; V400-F408 HydrophobicContact CG2-CE1 3.65Å; V400-F408 HydrophobicContact CG2-CG 4.45Å; P406-F408 HydrophobicContact CB-CE1 4.13Å; P406-F408 HydrophobicContact CB-CE2 4.12Å; P406-F408 HydrophobicContact CB-CZ 3.68Å; P406-F408 HydrophobicContact CG-CE1 4.48Å; P406-F408 HydrophobicContact CG-CE2 3.82Å; P406-F408 HydrophobicContact CG-CZ 3.56Å; P406-F408 WeakPolarHBondContact O-CE2 3.29Å; F408-H410 VanDerWaalsContact C-N 3.29Å; F408-H410 PolarHBondContact O-N 2.91Å; F408-L431 HydrophobicContact CE2-CD1 4.11Å; F408-L431 HydrophobicContact CZ-CD1 3.68Å
409N96.8Very high94.7Very high103 Ų10362.4 Ų62.455%0.55134%0.339SS*.EExtended strand (participates in β ladder)trans36.756-175.3-73.8-16.1000113.5V363 K364 V407V363-N409 WeakPolarHBondContact O-CA 3.32Å; V363-N409 PolarHBondContact O-N 3.24Å; V363-N409 VanDerWaalsContact O-N 3.09Å; K364-N409 PolarHBondContact O-N 3.3Å; K364-N409 PolarHBondContact O-OD1 3.27Å; V407-N409 HydrophobicContact CG1-CB 4.42Å; V407-N409 WeakPolarHBondContact CG1-ND2 3.41Å
410H98.1Very high94.4Very high60 Ų6063.6 Ų63.628%0.27835%0.353SS..EExtended strand (participates in β ladder)trans-131.9124.2-170.4177.473.5000111.5V363 T397 F408V363-H410 PolarHBondContact N-O 3.4Å; V363-H410 PolarHBondContact O-N 3.27Å; T397-H410 HydrophobicContact CG2-CB 4.14Å; F408-H410 VanDerWaalsContact C-N 3.29Å; F408-H410 PolarHBondContact O-N 2.91Å
411T98.1Very high94.3Very high63 Ų6364.3 Ų64.339%0.38736%0.356SS..EExtended strand (participates in β ladder)trans-94.3125.8177.1-47.40000110.8F361 V413 W482F361-T411 CarbonylContact O-C 3.56Å; F361-T411 VanDerWaalsContact O-CA 3.3Å; F361-T411 WeakPolarHBondContact O-CA 3.39Å; T411-V413 HydrophobicContact CG2-CG2 4.07Å; T411-W482 HydrophobicContact CG2-CH2 4.17Å
412M98.1Very high94.3Very high0 Ų056.5 Ų56.50%033%0.327CS..EExtended strand (participates in β ladder)trans-102.3139.3167.8-58.1-177.7-163.700108.4F361 V363 C383 Q395 T397 Y414F361-M412 HydrophobicContact CB-CB 4.34Å; F361-M412 PolarHBondContact N-O 3.39Å; F361-M412 PolarHBondContact O-N 3.37Å; V363-M412 HydrophobicContact CG2-CE 4.35Å; C383-M412 HydrophobicContact CB-SD 3.41Å; C383-M412 WeakPolarHBondContact CB-SD 3.41Å; Q395-M412 HydrophobicContact CB-CB 4.16Å; Q395-M412 HydrophobicContact CB-CG 3.94Å; Q395-M412 HydrophobicContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact CB-SD 3.54Å; Q395-M412 VanDerWaalsContact OE1-CB 3.3Å; T397-M412 HydrophobicContact CG2-CE 3.6Å; M412-Y414 HydrophobicContact CB-CE2 4.3Å
413V97.4Very high94.5Very high53 Ų5353.4 Ų53.432%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-130.4129.4-177-176.40000109.7E358 L359 Q395 T411E358-V413 HydrophobicContact CB-CG1 4.18Å; E358-V413 HydrophobicContact CG-CG1 4.41Å; L359-V413 WeakPolarHBondContact O-CA 3.35Å; Q395-V413 PolarHBondContact NE2-O 2.79Å; T411-V413 HydrophobicContact CG2-CG2 4.07Å
414Y97Very high94.8Very high14 Ų1454.9 Ų54.96%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-120.4120.7-178-77.6-97.6000109.5E358 L359 F361 C383 V385 S393 Q395 M412E358-Y414 CarbonylContact C-O 3.58Å; E358-Y414 WeakPolarHBondContact CA-O 3.49Å; L359-Y414 PolarHBondContact N-O 2.99Å; L359-Y414 PolarHBondContact O-N 2.99Å; F361-Y414 AromaticContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CD2 3.79Å; F361-Y414 HydrophobicContact CD2-CE2 4.09Å; F361-Y414 AromaticContact CE2-CD2 3.51Å; F361-Y414 HydrophobicContact CE2-CD2 3.51Å; F361-Y414 AromaticContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CE2 3.95Å; F361-Y414 HydrophobicContact CE2-CG 4.32Å; C383-Y414 HydrophobicContact CB-CE2 4.34Å; C383-Y414 PolarHBondContact O-OH 3.41Å; V385-Y414 HydrophobicContact CB-CD1 4.23Å; V385-Y414 HydrophobicContact CB-CE1 4.37Å; V385-Y414 HydrophobicContact CG2-CD1 3.66Å; V385-Y414 HydrophobicContact CG2-CD2 3.96Å; V385-Y414 HydrophobicContact CG2-CE1 3.81Å; V385-Y414 HydrophobicContact CG2-CE2 4.09Å; V385-Y414 HydrophobicContact CG2-CG 3.73Å; S393-Y414 WeakPolarHBondContact O-CE1 3.16Å; S393-Y414 VanDerWaalsContact O-CZ 3.3Å; S393-Y414 PolarHBondContact O-OH 2.92Å; Q395-Y414 HydrophobicContact CB-CE2 4.28Å; Q395-Y414 HydrophobicContact CG-CE2 4.1Å; Q395-Y414 PolarHBondContact N-OH 3Å; M412-Y414 HydrophobicContact CB-CE2 4.3Å
415D95.3Very high95.3Very high119 Ų11951.4 Ų51.464%0.63630%0.3SS*.  trans-96.1172.4-178.861.1-18.6000112.6F417D415-F417 WeakPolarHBondContact O-CD2 3.49Å; D415-F417 VanDerWaalsContact O-CE2 3.27Å; D415-F417 WeakPolarHBondContact O-CE2 3.39Å
416G93.8Very high95.6Very high54 Ų5448.5 Ų48.556%0.55728%0.28SS*.  trans872.2175.900000116.6S356 G357S356-G416 WeakPolarHBondContact OG-CA 3.42Å; S356-G416 PolarHBondContact OG-N 3.41Å; G357-G416 PolarHBondContact O-N 3.38Å
417F93.3Very high95.7Very high37 Ų3748.5 Ų48.516%0.16228%0.28CS..  trans-91.6121.3-171.8-72.6-89.1000113.6Y343 G357 V385 D415 D421 L422 A425Y343-F417 HydrophobicContact CE2-CB 4.34Å; Y343-F417 WeakPolarHBondContact CE2-O 3.41Å; Y343-F417 PolarHBondContact OH-O 3.47Å; G357-F417 VanDerWaalsContact CA-O 3.28Å; G357-F417 WeakPolarHBondContact CA-O 3.47Å; G357-F417 PolarHBondContact O-N 2.76Å; V385-F417 HydrophobicContact CB-CZ 3.98Å; V385-F417 HydrophobicContact CG1-CE1 3.58Å; V385-F417 HydrophobicContact CG1-CE2 4.42Å; V385-F417 HydrophobicContact CG1-CZ 3.48Å; V385-F417 VanDerWaalsContact CG1-CZ 3.48Å; D415-F417 WeakPolarHBondContact O-CD2 3.49Å; D415-F417 VanDerWaalsContact O-CE2 3.27Å; D415-F417 WeakPolarHBondContact O-CE2 3.39Å; F417-D421 HydrophobicContact CD1-CB 4.13Å; F417-L422 HydrophobicContact CB-CD2 4.08Å; F417-L422 HydrophobicContact CD1-CD2 4.14Å; F417-L422 HydrophobicContact CG-CD2 4.3Å; F417-A425 HydrophobicContact CE1-CB 4.28Å
418G92.8Very high95.7Very high21 Ų2145.5 Ų45.522%0.21626%0.261CS..  trans-82.2160.8167.300000112.9A420 D421 L422G418-A420 PolarHBondContact O-N 3.2Å; G418-A420 VanDerWaalsContact O-N 3.09Å; G418-D421 WeakPolarHBondContact CA-OD2 3.04Å; G418-D421 PolarHBondContact N-OD2 3.1Å; G418-D421 WeakPolarHBondContact O-CB 3.28Å; G418-D421 PolarHBondContact O-N 3.05Å; G418-L422 PolarHBondContact O-N 3.25Å
419P89.2Confident95.7Very high78 Ų7844.5 Ų44.551%0.50626%0.256SS..THydrogen-bonded Turntrans-63.4-15.2175.8-22.133.2000114.4Y343Y343-P419 HydrophobicContact CE1-CG 4.19Å; Y343-P419 WeakPolarHBondContact OH-CD 3.45Å
420A91.7Very high95.7Very high69 Ų6939.6 Ų39.657%0.5723%0.23SC*.THydrogen-bonded Turntrans-81.3-39.2171.600000111.9G418 L422 R423G418-A420 PolarHBondContact O-N 3.2Å; G418-A420 VanDerWaalsContact O-N 3.09Å; A420-L422 PolarHBondContact O-N 3.39Å; A420-R423 WeakPolarHBondContact O-CB 3.24Å; A420-R423 PolarHBondContact O-N 2.98Å; A420-R423 VanDerWaalsContact O-N 3.09Å
421D94.4Very high95.7Very high51 Ų5136.7 Ų36.727%0.27322%0.217SC..G310 helixtrans-64.3-39.1-180-60.3-71000111.9F417 G418 R423 Q424 A425 Y455F417-D421 HydrophobicContact CD1-CB 4.13Å; G418-D421 WeakPolarHBondContact CA-OD2 3.04Å; G418-D421 PolarHBondContact N-OD2 3.1Å; G418-D421 WeakPolarHBondContact O-CB 3.28Å; G418-D421 PolarHBondContact O-N 3.05Å; D421-R423 PolarHBondContact O-N 3.4Å; D421-Q424 CarbonylContact O-C 3.5Å; D421-Q424 WeakPolarHBondContact O-CA 3.49Å; D421-Q424 PolarHBondContact O-N 3.31Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.94Å; D421-Y455 VanDerWaalsContact CB-OH 3.31Å; D421-Y455 WeakPolarHBondContact CB-OH 3.42Å; D421-Y455 PolarHBondContact OD1-OH 2.99Å
422L94.4Very high95.6Very high0 Ų036.1 Ų36.10%021%0.208CC..G310 helixtrans-62.1-14.5174.9-58.8179000114.1Y343 L359 F417 G418 A420 W472 L476Y343-L422 HydrophobicContact CD1-CD1 3.64Å; Y343-L422 HydrophobicContact CD2-CD1 3.59Å; Y343-L422 HydrophobicContact CE1-CD1 3.82Å; Y343-L422 HydrophobicContact CE2-CD1 3.76Å; Y343-L422 HydrophobicContact CE2-CG 4.48Å; Y343-L422 HydrophobicContact CG-CD1 3.51Å; L359-L422 HydrophobicContact CD2-CD2 4Å; F417-L422 HydrophobicContact CB-CD2 4.08Å; F417-L422 HydrophobicContact CD1-CD2 4.14Å; F417-L422 HydrophobicContact CG-CD2 4.3Å; G418-L422 PolarHBondContact O-N 3.25Å; A420-L422 PolarHBondContact O-N 3.39Å; L422-W472 HydrophobicContact CB-CZ2 4.31Å; L422-W472 HydrophobicContact CD2-CH2 4.34Å; L422-W472 HydrophobicContact CD2-CZ2 4.17Å; L422-W472 PolarHBondContact O-NE1 3.4Å; L422-L476 HydrophobicContact CB-CD2 3.61Å; L422-L476 HydrophobicContact CD1-CD2 3.86Å; L422-L476 HydrophobicContact CG-CD2 4.43Å
423R94.9Very high95.4Very high135 Ų13536.8 Ų36.851%0.50921%0.211SC..G310 helixtrans-87.5-10.6172.3-56.6-178.4-179.5-86.3-3.9112.9A420 D421 L449A420-R423 WeakPolarHBondContact O-CB 3.24Å; A420-R423 PolarHBondContact O-N 2.98Å; A420-R423 VanDerWaalsContact O-N 3.09Å; D421-R423 PolarHBondContact O-N 3.4Å; R423-L449 HydrophobicContact CB-CD1 3.93Å; R423-L449 HydrophobicContact CG-CD1 4.11Å
424Q95.8Very high95.2Very high64 Ų6437.8 Ų37.830%0.29921%0.212SC..THydrogen-bonded Turntrans-119.5-14.9-178.1-59.5-62.2-36.200112.8D421 S454 Y455 M462D421-Q424 CarbonylContact O-C 3.5Å; D421-Q424 WeakPolarHBondContact O-CA 3.49Å; D421-Q424 PolarHBondContact O-N 3.31Å; Q424-S454 WeakPolarHBondContact O-CB 3.44Å; Q424-S454 PolarHBondContact O-OG 2.74Å; Q424-Y455 HydrophobicContact CB-CD1 4.22Å; Q424-Y455 HydrophobicContact CB-CD2 3.84Å; Q424-Y455 HydrophobicContact CB-CE1 4.05Å; Q424-Y455 HydrophobicContact CB-CE2 3.62Å; Q424-Y455 HydrophobicContact CB-CG 4.13Å; Q424-Y455 HydrophobicContact CG-CD1 4.41Å; Q424-Y455 HydrophobicContact CG-CE1 4.41Å; Q424-M462 VanDerWaalsContact C-CE 3.4Å; Q424-M462 WeakPolarHBondContact O-CE 3.46Å
425A96.4Very high94.6Very high1 Ų137.7 Ų37.71%0.00822%0.216CC..  trans-86.6158.7178.100000112.8V385 L386 F417 D421 S448 M462V385-A425 HydrophobicContact CG1-CB 4.05Å; L386-A425 CarbonylContact O-C 3.48Å; L386-A425 VanDerWaalsContact O-CA 3.23Å; L386-A425 WeakPolarHBondContact O-CA 3.38Å; F417-A425 HydrophobicContact CE1-CB 4.28Å; D421-A425 WeakPolarHBondContact O-CB 3.46Å; D421-A425 PolarHBondContact O-N 2.94Å; A425-S448 WeakPolarHBondContact O-CB 3.46Å; A425-M462 WeakPolarHBondContact O-CE 3.47Å
426C97.8Very high93.8Very high0 Ų037.4 Ų37.40%023%0.23CC..EExtended strand (participates in β ladder)trans-139.1118.4173.1178.10000110.3L386 L447 W461 M462L386-C426 HydrophobicContact CB-CB 4.28Å; L386-C426 VanDerWaalsContact CB-O 3.29Å; L386-C426 WeakPolarHBondContact CB-O 3.19Å; L386-C426 PolarHBondContact N-O 3.33Å; L386-C426 PolarHBondContact O-N 3.34Å; C426-L447 CarbonylContact C-O 3.38Å; C426-L447 WeakPolarHBondContact CA-O 3.49Å; C426-W461 HydrophobicContact CB-CE3 3.65Å; C426-W461 HydrophobicContact CB-CZ3 3.6Å; C426-W461 PolarHBondContact SG-O 2.89Å; C426-W461 VanDerWaalsContact SG-O 3.34Å; C426-M462 HydrophobicContact CB-CE 4.26Å; C426-M462 HydrophobicContact CB-SD 4.15Å
427A98.1Very high93.1Very high0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-88116.617800000111.1F361 F384 V385 L429 R446 L447 W472F361-A427 HydrophobicContact CE1-CB 3.36Å; F361-A427 HydrophobicContact CZ-CB 3.36Å; F384-A427 CarbonylContact O-C 3.44Å; F384-A427 WeakPolarHBondContact O-CA 3.46Å; V385-A427 HydrophobicContact CG2-CB 4.34Å; A427-L429 HydrophobicContact CB-CD1 4.24Å; A427-R446 WeakPolarHBondContact O-CA 3.44Å; A427-L447 HydrophobicContact CB-CB 4.24Å; A427-L447 HydrophobicContact CB-CD1 4.46Å; A427-L447 PolarHBondContact N-O 2.8Å; A427-L447 PolarHBondContact O-N 2.77Å; A427-W472 HydrophobicContact CB-CH2 4.3Å; A427-W472 HydrophobicContact CB-CZ3 4.02Å
428E98.1Very high92.6Very high12 Ų1245 Ų456%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-101.7106.9-180-171.3-170.311100110.3C383 F384 L386 T445 R446 R496C383-E428 WeakPolarHBondContact CA-O 3.44Å; F384-E428 PolarHBondContact N-O 2.96Å; F384-E428 VanDerWaalsContact N-O 3.15Å; F384-E428 PolarHBondContact O-N 3.47Å; L386-E428 HydrophobicContact CD1-CB 4.33Å; E428-T445 WeakPolarHBondContact CA-O 3.21Å; E428-R446 HydrophobicContact CB-CG 3.96Å; E428-R446 HydrophobicContact CG-CG 3.8Å; E428-R446 IonicContact OE2-CZ 2.99Å; E428-R446 VanDerWaalsContact OE2-CZ 3.27Å; E428-R446 IonicContact OE2-NE 3.44Å; E428-R446 PolarHBondContact OE2-NE 2.91Å; E428-R446 IonicContact OE2-NH2 3.74Å; E428-R446 PolarHBondContact OE2-NH2 2.87Å; E428-R496 IonicContact OE1-CZ 3.75Å; E428-R496 IonicContact OE1-NE 3.23Å; E428-R496 IonicContact OE1-NH2 3.38Å; E428-R496 PolarHBondContact OE1-NH2 2.96Å; E428-R496 IonicContact OE2-CZ 3.46Å; E428-R496 IonicContact OE2-NE 2.84Å; E428-R496 PolarHBondContact OE2-NE 3.47Å; E428-R496 IonicContact OE2-NH2 3.23Å; E428-R496 PolarHBondContact OE2-NH2 2.99Å
429L98.4Very high92.5Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-99.5114.3174.5-72.180.2000109.2L337 L339 F361 V363 V381 C383 A427 G444 T445 L447L337-L429 HydrophobicContact CD2-CB 4.1Å; L337-L429 HydrophobicContact CD2-CD2 4.17Å; L339-L429 HydrophobicContact CD1-CD2 4.34Å; F361-L429 HydrophobicContact CD1-CD1 4.02Å; F361-L429 HydrophobicContact CE1-CD1 4.1Å; V363-L429 HydrophobicContact CG2-CD2 4.05Å; V381-L429 HydrophobicContact CG1-CB 4.31Å; V381-L429 HydrophobicContact CG1-CD2 4.48Å; C383-L429 HydrophobicContact CB-CG 4.4Å; A427-L429 HydrophobicContact CB-CD1 4.24Å; L429-G444 CarbonylContact O-C 3.59Å; L429-G444 WeakPolarHBondContact O-CA 3.29Å; L429-T445 HydrophobicContact CB-CG2 3.97Å; L429-T445 PolarHBondContact N-O 3Å; L429-T445 PolarHBondContact O-N 3.41Å; L429-L447 HydrophobicContact CD1-CD1 3.7Å; L429-L447 HydrophobicContact CD1-CG 4.43Å
430S97.1Very high92.5Very high0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-113.1131.4-177.153.40000111.3V381 Q382 W432 G443V381-S430 CarbonylContact C-O 3.42Å; V381-S430 WeakPolarHBondContact CA-O 3.37Å; Q382-S430 PolarHBondContact N-O 2.89Å; Q382-S430 PolarHBondContact NE2-OG 2.88Å; Q382-S430 PolarHBondContact O-N 3.37Å; Q382-S430 PolarHBondContact O-OG 3.33Å; S430-W432 PolarHBondContact OG-NE1 3.21Å; S430-G443 WeakPolarHBondContact CA-O 3.43Å
431L97.4Very high92.5Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-96136.2175.4-174.975.5000110A366 L369 V381 F408 Q441 L442 G443 L489A366-L431 HydrophobicContact CB-CD2 4.34Å; L369-L431 HydrophobicContact CD1-CD2 3.82Å; L369-L431 HydrophobicContact CD2-CD2 3.46Å; L369-L431 VanDerWaalsContact CD2-CD2 3.46Å; L369-L431 HydrophobicContact CG-CD2 4.32Å; V381-L431 HydrophobicContact CG2-CD1 3.48Å; V381-L431 VanDerWaalsContact CG2-CD1 3.48Å; F408-L431 HydrophobicContact CE2-CD1 4.11Å; F408-L431 HydrophobicContact CZ-CD1 3.68Å; L431-Q441 WeakPolarHBondContact O-CG 3.33Å; L431-L442 HydrophobicContact CB-CB 4.49Å; L431-L442 HydrophobicContact CD2-CB 4.17Å; L431-L442 HydrophobicContact CD2-CD1 3.8Å; L431-L442 HydrophobicContact CG-CB 4.37Å; L431-L442 HydrophobicContact CG-CD1 4.03Å; L431-L442 PolarHBondContact O-N 2.89Å; L431-G443 PolarHBondContact N-O 2.92Å; L431-G443 PolarHBondContact O-N 3.17Å; L431-L489 HydrophobicContact CB-CD1 4.39Å; L431-L489 HydrophobicContact CB-CD2 3.79Å; L431-L489 HydrophobicContact CD2-CD1 3.59Å
432W95.9Very high92.3Very high51 Ų5146 Ų4619%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-130.4139.6-174.9-66.876.5000112.4T379 Y380 S430 N439 R440 Q441T379-W432 CarbonylContact C-O 3.54Å; T379-W432 VanDerWaalsContact CA-O 3.22Å; T379-W432 WeakPolarHBondContact CA-O 3.4Å; Y380-W432 HydrophobicContact CD1-CB 4.19Å; Y380-W432 HydrophobicContact CD2-CB 4.13Å; Y380-W432 HydrophobicContact CD2-CG 4.46Å; Y380-W432 HydrophobicContact CE1-CB 3.66Å; Y380-W432 HydrophobicContact CE1-CG 4.44Å; Y380-W432 HydrophobicContact CE2-CB 3.54Å; Y380-W432 AromaticContact CE2-CD1 3.65Å; Y380-W432 HydrophobicContact CE2-CD2 4.44Å; Y380-W432 AromaticContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CE2-CG 3.59Å; Y380-W432 HydrophobicContact CG-CB 4.4Å; Y380-W432 AromaticContact CZ-CG 3.58Å; Y380-W432 PolarHBondContact N-O 2.93Å; Y380-W432 PolarHBondContact O-N 2.92Å; Y380-W432 WeakPolarHBondContact OH-CB 3.42Å; S430-W432 PolarHBondContact OG-NE1 3.21Å; W432-N439 HydrophobicContact CE3-CB 3.88Å; W432-N439 HydrophobicContact CZ3-CB 4.39Å; W432-R440 WeakPolarHBondContact CA-O 3.39Å; W432-Q441 HydrophobicContact CD2-CB 4.04Å; W432-Q441 HydrophobicContact CD2-CG 4.45Å; W432-Q441 HydrophobicContact CE3-CB 4.06Å; W432-Q441 VanDerWaalsContact CE3-N 3.34Å; W432-Q441 HydrophobicContact CH2-CB 4Å; W432-Q441 HydrophobicContact CZ2-CB 3.98Å; W432-Q441 HydrophobicContact CZ2-CG 4.25Å; W432-Q441 HydrophobicContact CZ3-CB 4.05Å
433D93.9Very high92.3Very high13 Ų1346.1 Ų46.17%0.0725%0.246CC..EExtended strand (participates in β ladder)trans-85.7121.7164.4178.740.2000109.6R373 L377 D378 G435 N439 R440 L442R373-D433 IonicContact NH2-OD2 2.64Å; L377-D433 HydrophobicContact CD2-CB 4.22Å; D378-D433 PolarHBondContact N-OD1 2.75Å; D433-G435 PolarHBondContact O-N 3.28Å; D433-N439 CarbonylContact O-C 3.44Å; D433-N439 VanDerWaalsContact O-CA 3.25Å; D433-N439 WeakPolarHBondContact O-CA 3.41Å; D433-R440 PolarHBondContact N-O 3.44Å; D433-R440 PolarHBondContact O-N 3.24Å; D433-L442 HydrophobicContact CB-CD1 4.12Å; D433-L442 HydrophobicContact CB-CD2 4.32Å; D433-L442 HydrophobicContact CB-CG 4.11Å
434H92.9Very high92.4Very high74 Ų7439.7 Ų39.734%0.34322%0.222SC..EExtended strand (participates in β ladder)trans-87.974.4-179.2-178.753000110.9D378 Y380 V399 N439D378-H434 HydrophobicContact CB-CB 4.27Å; D378-H434 WeakPolarHBondContact O-CA 3.07Å; D378-H434 WeakPolarHBondContact O-CB 2.94Å; D378-H434 PolarHBondContact O-N 3.09Å; Y380-H434 HydrophobicContact CD1-CB 4.2Å; Y380-H434 HydrophobicContact CE1-CB 4.18Å; V399-H434 HydrophobicContact CG1-CB 4.07Å; H434-N439 PolarHBondContact ND1-OD1 2.88Å
435G84.4Confident92.5Very high13 Ų1336.7 Ų36.713%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-73.1140176.300000113D433 L437 A438D433-G435 PolarHBondContact O-N 3.28Å; G435-L437 PolarHBondContact O-N 3.4Å; G435-A438 CarbonylContact C-O 3.48Å; G435-A438 VanDerWaalsContact CA-O 3.27Å; G435-A438 WeakPolarHBondContact CA-O 3.42Å; G435-A438 PolarHBondContact N-O 3.05Å; G435-A438 CarbonylContact O-C 3.56Å; G435-A438 PolarHBondContact O-N 3.29Å
436A79.3Confident92.5Very high112 Ų11236.9 Ų36.993%0.92621%0.208SC*.THydrogen-bonded Turntrans-58.1-13.3-178.900000116.2
437L78.2Confident92.5Very high183 Ų18336.9 Ų36.996%0.95821%0.208SC*.THydrogen-bonded Turntrans-112.1-23.6174.7-63.4176.1000113.2G435G435-L437 PolarHBondContact O-N 3.4Å
438A84Confident92.5Very high68 Ų6836.9 Ų36.956%0.56221%0.208SC*.EExtended strand (participates in β ladder)trans-169.1140.5-177.200000110G435G435-A438 CarbonylContact C-O 3.48Å; G435-A438 VanDerWaalsContact CA-O 3.27Å; G435-A438 WeakPolarHBondContact CA-O 3.42Å; G435-A438 PolarHBondContact N-O 3.05Å; G435-A438 CarbonylContact O-C 3.56Å; G435-A438 PolarHBondContact O-N 3.29Å
439N90.4Very high92.4Very high67 Ų6738 Ų3836%0.35822%0.215SC..EExtended strand (participates in β ladder)trans-73.2141.4164.3-52.4-56.3000109.1W432 D433 H434W432-N439 HydrophobicContact CE3-CB 3.88Å; W432-N439 HydrophobicContact CZ3-CB 4.39Å; D433-N439 CarbonylContact O-C 3.44Å; D433-N439 VanDerWaalsContact O-CA 3.25Å; D433-N439 WeakPolarHBondContact O-CA 3.41Å; H434-N439 PolarHBondContact ND1-OD1 2.88Å
440R89.9Confident92.3Very high99 Ų9938.6 Ų38.637%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-130.9131.3172-173.5150.759.7138.3-0.3110.9L372 W432 D433 L442L372-R440 HydrophobicContact CD1-CB 4.23Å; L372-R440 HydrophobicContact CD1-CG 3.77Å; W432-R440 WeakPolarHBondContact CA-O 3.39Å; D433-R440 PolarHBondContact N-O 3.44Å; D433-R440 PolarHBondContact O-N 3.24Å; R440-L442 PolarHBondContact O-N 2.89Å
441Q91.7Very high92.2Very high69 Ų6942 Ų4232%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-64.9133.3176.8-168.4169.4-9.300109.7L431 W432 G443L431-Q441 WeakPolarHBondContact O-CG 3.33Å; W432-Q441 HydrophobicContact CD2-CB 4.04Å; W432-Q441 HydrophobicContact CD2-CG 4.45Å; W432-Q441 HydrophobicContact CE3-CB 4.06Å; W432-Q441 VanDerWaalsContact CE3-N 3.34Å; W432-Q441 HydrophobicContact CH2-CB 4Å; W432-Q441 HydrophobicContact CZ2-CB 3.98Å; W432-Q441 HydrophobicContact CZ2-CG 4.25Å; W432-Q441 HydrophobicContact CZ3-CB 4.05Å; Q441-G443 WeakPolarHBondContact CG-O 3.39Å; Q441-G443 PolarHBondContact NE2-O 3.48Å; Q441-G443 VanDerWaalsContact NE2-O 3.07Å
442L90.3Very high92Very high5 Ų543.5 Ų43.53%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-90.3-32.5173.1-70.7164.4000110.7R334 L372 L377 T379 L431 D433 R440R334-L442 WeakPolarHBondContact CD-O 3.48Å; L372-L442 HydrophobicContact CD1-CD2 3.62Å; L372-L442 HydrophobicContact CD1-CG 4.46Å; L372-L442 HydrophobicContact CG-CD2 3.98Å; L377-L442 HydrophobicContact CD1-CD1 3.91Å; L377-L442 HydrophobicContact CD1-CD2 4.24Å; L377-L442 HydrophobicContact CD2-CD2 4.24Å; T379-L442 HydrophobicContact CG2-CD1 3.92Å; L431-L442 HydrophobicContact CB-CB 4.49Å; L431-L442 HydrophobicContact CD2-CB 4.17Å; L431-L442 HydrophobicContact CD2-CD1 3.8Å; L431-L442 HydrophobicContact CG-CB 4.37Å; L431-L442 HydrophobicContact CG-CD1 4.03Å; L431-L442 PolarHBondContact O-N 2.89Å; D433-L442 HydrophobicContact CB-CD1 4.12Å; D433-L442 HydrophobicContact CB-CD2 4.32Å; D433-L442 HydrophobicContact CB-CG 4.11Å; R440-L442 PolarHBondContact O-N 2.89Å
443G93.6Very high91.9Very high3 Ų343 Ų433%0.03126%0.262CS..EExtended strand (participates in β ladder)trans169.3-161.2175.600000110.7S430 L431 Q441 R490S430-G443 WeakPolarHBondContact CA-O 3.43Å; L431-G443 PolarHBondContact N-O 2.92Å; L431-G443 PolarHBondContact O-N 3.17Å; Q441-G443 WeakPolarHBondContact CG-O 3.39Å; Q441-G443 PolarHBondContact NE2-O 3.48Å; Q441-G443 VanDerWaalsContact NE2-O 3.07Å; G443-R490 CarbonylContact C-O 3.57Å; G443-R490 WeakPolarHBondContact CA-O 3.49Å
444G96.2Very high92Very high0 Ų042.6 Ų42.60%026%0.26CS..EExtended strand (participates in β ladder)trans-178.4-178.4169.600000112.9L429 R490L429-G444 CarbonylContact O-C 3.59Å; L429-G444 WeakPolarHBondContact O-CA 3.29Å; G444-R490 PolarHBondContact N-O 3.28Å; G444-R490 WeakPolarHBondContact O-CA 3.37Å; G444-R490 WeakPolarHBondContact O-CB 3.2Å; G444-R490 PolarHBondContact O-N 3.3Å
445T97.7Very high92Very high0 Ų044.5 Ų44.50%026%0.264CS..EExtended strand (participates in β ladder)trans-136.5150.6179.1178.40000109.8L337 E428 L429 E468L337-T445 HydrophobicContact CD2-CG2 3.99Å; E428-T445 WeakPolarHBondContact CA-O 3.21Å; L429-T445 HydrophobicContact CB-CG2 3.97Å; L429-T445 PolarHBondContact N-O 3Å; L429-T445 PolarHBondContact O-N 3.41Å; T445-E468 WeakPolarHBondContact CA-OE1 3.38Å; T445-E468 VanDerWaalsContact CB-OE1 3.31Å; T445-E468 WeakPolarHBondContact CB-OE1 3.17Å; T445-E468 WeakPolarHBondContact OG1-CG 3.16Å; T445-E468 PolarHBondContact OG1-OE1 2.86Å
446R97.8Very high92.3Very high5 Ų547.4 Ų47.42%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-124.5115179.1-88.5177.6-178.41544.3111A427 E428 W461 D463 S464 E468 L493 A494A427-R446 WeakPolarHBondContact O-CA 3.44Å; E428-R446 HydrophobicContact CB-CG 3.96Å; E428-R446 HydrophobicContact CG-CG 3.8Å; E428-R446 IonicContact OE2-CZ 2.99Å; E428-R446 VanDerWaalsContact OE2-CZ 3.27Å; E428-R446 IonicContact OE2-NE 3.44Å; E428-R446 PolarHBondContact OE2-NE 2.91Å; E428-R446 IonicContact OE2-NH2 3.74Å; E428-R446 PolarHBondContact OE2-NH2 2.87Å; R446-W461 WeakPolarHBondContact CD-O 3.49Å; R446-D463 WeakPolarHBondContact CD-OD1 3.38Å; R446-D463 IonicContact CZ-OD1 3.4Å; R446-D463 IonicContact NE-OD1 2.62Å; R446-D463 IonicContact NH1-OD1 3.53Å; R446-D463 PolarHBondContact NH1-OD1 3.19Å; R446-D463 IonicContact NH1-OD2 2.78Å; R446-S464 WeakPolarHBondContact O-CB 3.26Å; R446-S464 PolarHBondContact O-OG 3.33Å; R446-E468 PolarHBondContact N-OE1 3.49Å; R446-E468 WeakPolarHBondContact O-CB 3.37Å; R446-L493 HydrophobicContact CB-CD2 4.29Å; R446-L493 HydrophobicContact CG-CD2 3.79Å; R446-A494 VanDerWaalsContact CZ-O 3.25Å; R446-A494 PolarHBondContact NH1-O 2.84Å; R446-A494 PolarHBondContact NH2-O 2.95Å
447L98.2Very high93Very high0 Ų048 Ų480%028%0.281CS..EExtended strand (participates in β ladder)trans-99.2110.3-175.7-52.1168.7000109.2L339 L341 F361 C426 A427 L429 L471 W472 L487L339-L447 HydrophobicContact CD1-CD1 4.06Å; L341-L447 HydrophobicContact CD1-CD1 3.89Å; L341-L447 HydrophobicContact CD2-CD1 3.81Å; L341-L447 HydrophobicContact CG-CD1 4.41Å; F361-L447 HydrophobicContact CD1-CD1 4.4Å; F361-L447 HydrophobicContact CE1-CD1 4.14Å; C426-L447 CarbonylContact C-O 3.38Å; C426-L447 WeakPolarHBondContact CA-O 3.49Å; A427-L447 HydrophobicContact CB-CB 4.24Å; A427-L447 HydrophobicContact CB-CD1 4.46Å; A427-L447 PolarHBondContact N-O 2.8Å; A427-L447 PolarHBondContact O-N 2.77Å; L429-L447 HydrophobicContact CD1-CD1 3.7Å; L429-L447 HydrophobicContact CD1-CG 4.43Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; L447-W472 HydrophobicContact CB-CD2 4.29Å; L447-W472 HydrophobicContact CB-CE3 3.53Å; L447-W472 HydrophobicContact CB-CZ3 4Å; L447-L487 HydrophobicContact CD2-CD1 3.37Å
448S97.5Very high93.9Very high0 Ų048 Ų480%028%0.277CS..SBendtrans-165.2175.1179.575.90000110.4A425 G450 M462 S464 W472A425-S448 WeakPolarHBondContact O-CB 3.46Å; S448-G450 PolarHBondContact O-N 3.41Å; S448-G450 WeakPolarHBondContact OG-CA 3.17Å; S448-G450 PolarHBondContact OG-N 3.12Å; S448-M462 VanDerWaalsContact CB-SD 3.56Å; S448-M462 PolarHBondContact OG-SD 3.36Å; S448-S464 PolarHBondContact N-OG 3.09Å; S448-S464 PolarHBondContact OG-OG 3.06Å; S448-W472 VanDerWaalsContact C-CD1 3.44Å
449L96.8Very high94.4Very high37 Ų3745.9 Ų45.919%0.19426%0.257CS..  trans-69.3-6.1167.1-64.6179.9000113.3R423 T451 K469 Q473 L476R423-L449 HydrophobicContact CB-CD1 3.93Å; R423-L449 HydrophobicContact CG-CD1 4.11Å; L449-T451 HydrophobicContact CB-CG2 3.95Å; L449-T451 PolarHBondContact O-N 3.31Å; L449-K469 WeakPolarHBondContact O-CE 3.3Å; L449-Q473 HydrophobicContact CD2-CG 3.77Å; L449-L476 HydrophobicContact CD1-CD1 4.32Å; L449-L476 HydrophobicContact CD2-CD1 3.93Å; L449-L476 HydrophobicContact CG-CD1 4.29Å
450G94.7Very high94.6Very high12 Ų1245.3 Ų45.312%0.12426%0.256CS..  trans45.454.1176.500000114.1S448 G452 M462 K469S448-G450 PolarHBondContact O-N 3.41Å; S448-G450 WeakPolarHBondContact OG-CA 3.17Å; S448-G450 PolarHBondContact OG-N 3.12Å; G450-G452 VanDerWaalsContact C-N 3.33Å; G450-M462 CarbonylContact C-O 3.6Å; G450-M462 VanDerWaalsContact C-O 3.26Å; G450-M462 WeakPolarHBondContact CA-O 3.41Å; G450-K469 WeakPolarHBondContact O-CE 3.48Å; G450-K469 PolarHBondContact O-NZ 3.19Å
451T94.7Very high94.8Very high70 Ų7041.6 Ų41.643%0.42924%0.242SC..  trans-83.90.3-176.345.70000113.8L449 S453L449-T451 HydrophobicContact CB-CG2 3.95Å; L449-T451 PolarHBondContact O-N 3.31Å; T451-S453 PolarHBondContact O-N 3Å; T451-S453 PolarHBondContact O-OG 3.13Å; T451-S453 PolarHBondContact OG1-N 3.43Å; T451-S453 PolarHBondContact OG1-O 3.15Å
452G93.9Very high95Very high32 Ų3238.5 Ų38.533%0.3323%0.228SC..SBendtrans58.810.6-166.100000114.7G450 Q458 V459 M462G450-G452 VanDerWaalsContact C-N 3.33Å; G452-Q458 WeakPolarHBondContact O-CA 3.32Å; G452-V459 CarbonylContact C-O 3.26Å; G452-V459 PolarHBondContact O-N 3.49Å; G452-M462 PolarHBondContact N-O 3.12Å
453S94.3Very high95.2Very high42 Ų4240.3 Ų40.329%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-154141.6-169.749.30000113.5T451 L457T451-S453 PolarHBondContact O-N 3Å; T451-S453 PolarHBondContact O-OG 3.13Å; T451-S453 PolarHBondContact OG1-N 3.43Å; T451-S453 PolarHBondContact OG1-O 3.15Å; S453-L457 CarbonylContact C-O 3.51Å; S453-L457 WeakPolarHBondContact CA-O 3.36Å; S453-L457 VanDerWaalsContact CB-O 3.29Å; S453-L457 WeakPolarHBondContact CB-O 3.37Å
454S95.3Very high95.4Very high4 Ų440.3 Ų40.33%0.02824%0.237CC..EExtended strand (participates in β ladder)trans-142.6132.6-176.8177.90000110.4Q424 G456 L457 W461Q424-S454 WeakPolarHBondContact O-CB 3.44Å; Q424-S454 PolarHBondContact O-OG 2.74Å; S454-G456 PolarHBondContact O-N 2.74Å; S454-L457 PolarHBondContact N-O 3.28Å; S454-L457 PolarHBondContact O-N 3Å; S454-W461 VanDerWaalsContact CB-CH2 3.41Å; S454-W461 VanDerWaalsContact OG-CH2 3.25Å; S454-W461 WeakPolarHBondContact OG-CH2 3.16Å
455Y93.8Very high95.4Very high113 Ų11341.8 Ų41.844%0.44325%0.246SC..THydrogen-bonded Turntrans46.636-177.4-66.6-83.2000114P387 D421 Q424P387-Y455 HydrophobicContact CG-CD2 3.95Å; P387-Y455 HydrophobicContact CG-CE2 3.88Å; D421-Y455 VanDerWaalsContact CB-OH 3.31Å; D421-Y455 WeakPolarHBondContact CB-OH 3.42Å; D421-Y455 PolarHBondContact OD1-OH 2.99Å; Q424-Y455 HydrophobicContact CB-CD1 4.22Å; Q424-Y455 HydrophobicContact CB-CD2 3.84Å; Q424-Y455 HydrophobicContact CB-CE1 4.05Å; Q424-Y455 HydrophobicContact CB-CE2 3.62Å; Q424-Y455 HydrophobicContact CB-CG 4.13Å; Q424-Y455 HydrophobicContact CG-CD1 4.41Å; Q424-Y455 HydrophobicContact CG-CE1 4.41Å
456G91.1Very high95.3Very high75 Ų7546.2 Ų46.277%0.77328%0.275SS*.THydrogen-bonded Turntrans86.2-317900000115.8S454S454-G456 PolarHBondContact O-N 2.74Å
457L93.7Very high95.3Very high123 Ų12350.6 Ų50.664%0.64430%0.296SS*.EExtended strand (participates in β ladder)trans-99.7145.3175-58178000110.3S453 S454 V459S453-L457 CarbonylContact C-O 3.51Å; S453-L457 WeakPolarHBondContact CA-O 3.36Å; S453-L457 VanDerWaalsContact CB-O 3.29Å; S453-L457 WeakPolarHBondContact CB-O 3.37Å; S454-L457 PolarHBondContact N-O 3.28Å; S454-L457 PolarHBondContact O-N 3Å; L457-V459 HydrophobicContact CB-CG1 4.43Å
458Q95.5Very high95.2Very high185 Ų18550.6 Ų50.686%0.86430%0.296SS*.EExtended strand (participates in β ladder)trans-71.5135.3164.2-75.2-169.147.100109.2G452G452-Q458 WeakPolarHBondContact O-CA 3.32Å
459V95.5Very high95.3Very high22 Ų2253.5 Ų53.513%0.13331%0.308CS..  trans-138.9134.3-178.4-63.10000111.2G452 L457 W461 M462G452-V459 CarbonylContact C-O 3.26Å; G452-V459 PolarHBondContact O-N 3.49Å; L457-V459 HydrophobicContact CB-CG1 4.43Å; V459-W461 HydrophobicContact CB-CD2 4.03Å; V459-W461 HydrophobicContact CB-CG 4.29Å; V459-W461 HydrophobicContact CB-CZ2 4.08Å; V459-W461 HydrophobicContact CG1-CZ2 3.91Å; V459-W461 HydrophobicContact CG2-CD2 3.79Å; V459-W461 HydrophobicContact CG2-CE3 3.99Å; V459-W461 HydrophobicContact CG2-CG 4.38Å; V459-W461 HydrophobicContact CG2-CH2 4.16Å; V459-W461 HydrophobicContact CG2-CZ2 3.93Å; V459-W461 HydrophobicContact CG2-CZ3 4.17Å; V459-W461 PolarHBondContact O-N 2.9Å; V459-M462 HydrophobicContact CG2-CB 3.87Å; V459-M462 HydrophobicContact CG2-CG 3.5Å; V459-M462 VanDerWaalsContact CG2-CG 3.5Å; V459-M462 PolarHBondContact O-N 2.97Å
460P94.3Very high95.3Very high55 Ų5558.2 Ų58.236%0.35733%0.329SS..THydrogen-bonded Turntrans-66.3-24.8-179.126.5-35.1000113.1M462 A494 P495P460-M462 VanDerWaalsContact C-N 3.31Å; P460-M462 PolarHBondContact O-N 3.07Å; P460-A494 HydrophobicContact CB-CB 4.21Å; P460-A494 VanDerWaalsContact O-CB 3.23Å; P460-A494 WeakPolarHBondContact O-CB 3.44Å; P460-P495 WeakPolarHBondContact CG-O 3.39Å
461W94.2Very high95.5Very high21 Ų2158.1 Ų58.18%0.0833%0.326CS..THydrogen-bonded Turntrans-84.96.8-175.552.3-101.4000115.3L386 P387 C426 R446 S454 V459 D463L386-W461 HydrophobicContact CB-CD2 4.18Å; L386-W461 HydrophobicContact CB-CE3 3.73Å; L386-W461 HydrophobicContact CB-CH2 3.78Å; L386-W461 HydrophobicContact CB-CZ2 4.24Å; L386-W461 HydrophobicContact CB-CZ3 3.52Å; L386-W461 HydrophobicContact CD1-CB 4Å; L386-W461 HydrophobicContact CD1-CD2 3.8Å; L386-W461 HydrophobicContact CD1-CE3 3.76Å; L386-W461 HydrophobicContact CD1-CG 3.95Å; L386-W461 HydrophobicContact CD1-CZ3 4.44Å; L386-W461 HydrophobicContact CG-CE3 4.4Å; P387-W461 HydrophobicContact CB-CH2 3.99Å; P387-W461 HydrophobicContact CB-CZ2 3.95Å; C426-W461 HydrophobicContact CB-CE3 3.65Å; C426-W461 HydrophobicContact CB-CZ3 3.6Å; C426-W461 PolarHBondContact SG-O 2.89Å; C426-W461 VanDerWaalsContact SG-O 3.34Å; R446-W461 WeakPolarHBondContact CD-O 3.49Å; S454-W461 VanDerWaalsContact CB-CH2 3.41Å; S454-W461 VanDerWaalsContact OG-CH2 3.25Å; S454-W461 WeakPolarHBondContact OG-CH2 3.16Å; V459-W461 HydrophobicContact CB-CD2 4.03Å; V459-W461 HydrophobicContact CB-CG 4.29Å; V459-W461 HydrophobicContact CB-CZ2 4.08Å; V459-W461 HydrophobicContact CG1-CZ2 3.91Å; V459-W461 HydrophobicContact CG2-CD2 3.79Å; V459-W461 HydrophobicContact CG2-CE3 3.99Å; V459-W461 HydrophobicContact CG2-CG 4.38Å; V459-W461 HydrophobicContact CG2-CH2 4.16Å; V459-W461 HydrophobicContact CG2-CZ2 3.93Å; V459-W461 HydrophobicContact CG2-CZ3 4.17Å; V459-W461 PolarHBondContact O-N 2.9Å; W461-D463 PolarHBondContact O-N 3.49Å
462M95.9Very high95.7Very high5 Ų554.8 Ų54.83%0.02531%0.306CS..  trans-91.945.5166.9-84.1-76.1-167.300110.7Q424 A425 C426 S448 G450 G452 V459 P460Q424-M462 VanDerWaalsContact C-CE 3.4Å; Q424-M462 WeakPolarHBondContact O-CE 3.46Å; A425-M462 WeakPolarHBondContact O-CE 3.47Å; C426-M462 HydrophobicContact CB-CE 4.26Å; C426-M462 HydrophobicContact CB-SD 4.15Å; S448-M462 VanDerWaalsContact CB-SD 3.56Å; S448-M462 PolarHBondContact OG-SD 3.36Å; G450-M462 CarbonylContact C-O 3.6Å; G450-M462 VanDerWaalsContact C-O 3.26Å; G450-M462 WeakPolarHBondContact CA-O 3.41Å; G452-M462 PolarHBondContact N-O 3.12Å; V459-M462 HydrophobicContact CG2-CB 3.87Å; V459-M462 HydrophobicContact CG2-CG 3.5Å; V459-M462 VanDerWaalsContact CG2-CG 3.5Å; V459-M462 PolarHBondContact O-N 2.97Å; P460-M462 VanDerWaalsContact C-N 3.31Å; P460-M462 PolarHBondContact O-N 3.07Å
463D95.3Very high95.8Very high42 Ų4257.6 Ų57.623%0.22531%0.31CS..  trans-97.623.4-172.167.9-60.4000114.6R446 W461 T465 R490 A494R446-D463 WeakPolarHBondContact CD-OD1 3.38Å; R446-D463 IonicContact CZ-OD1 3.4Å; R446-D463 IonicContact NE-OD1 2.62Å; R446-D463 IonicContact NH1-OD1 3.53Å; R446-D463 PolarHBondContact NH1-OD1 3.19Å; R446-D463 IonicContact NH1-OD2 2.78Å; W461-D463 PolarHBondContact O-N 3.49Å; D463-T465 PolarHBondContact O-N 3.27Å; D463-R490 PolarHBondContact O-NH2 3.41Å; D463-R490 IonicContact OD2-CZ 3.07Å; D463-R490 IonicContact OD2-NH1 3.83Å; D463-R490 PolarHBondContact OD2-NH1 2.94Å; D463-R490 IonicContact OD2-NH2 3.88Å; D463-R490 PolarHBondContact OD2-NH2 3.48Å; D463-A494 HydrophobicContact CB-CB 4.38Å
464S97.1Very high96Very high3 Ų356.5 Ų56.52%0.02130%0.304CS..  trans-57.2132.4-176.1-60.50000113.4R446 S448 E468 K469R446-S464 WeakPolarHBondContact O-CB 3.26Å; R446-S464 PolarHBondContact O-OG 3.33Å; S448-S464 PolarHBondContact N-OG 3.09Å; S448-S464 PolarHBondContact OG-OG 3.06Å; S464-E468 VanDerWaalsContact CA-OE2 3.27Å; S464-E468 WeakPolarHBondContact CA-OE2 3.18Å; S464-K469 WeakPolarHBondContact O-CD 3.4Å; S464-K469 WeakPolarHBondContact O-CE 3.3Å; S464-K469 PolarHBondContact O-NZ 3.08Å
465T95.8Very high96.1Very high31 Ų3156.3 Ų56.319%0.1930%0.303CS..  trans-70.2169.3173.7740000111.6D463 E467 E468 K469D463-T465 PolarHBondContact O-N 3.27Å; T465-E467 VanDerWaalsContact C-N 3.25Å; T465-E467 WeakPolarHBondContact CB-OE2 3.26Å; T465-E467 PolarHBondContact O-N 3.45Å; T465-E467 PolarHBondContact OG1-OE2 3.43Å; T465-E468 PolarHBondContact N-OE2 3.02Å; T465-E468 PolarHBondContact O-N 3.02Å; T465-E468 WeakPolarHBondContact OG1-CG 3.23Å; T465-K469 WeakPolarHBondContact O-CB 3.45Å; T465-K469 VanDerWaalsContact O-CG 3.3Å; T465-K469 WeakPolarHBondContact O-CG 3.16Å; T465-K469 PolarHBondContact O-N 3.45Å
466P97Very high96.1Very high93 Ų9352.6 Ų52.660%0.60429%0.29SS*.Hα-helixtrans-56.5-37.3179-26.536.9000113.8K469 Q470P466-K469 PolarHBondContact O-N 2.87Å; P466-Q470 WeakPolarHBondContact O-CB 3.46Å; P466-Q470 PolarHBondContact O-N 3.47Å
467E95.9Very high96.4Very high98 Ų9856.1 Ų56.146%0.45829%0.286SS..Hα-helixtrans-72.4-42.9-178.9-49.172.3-155.600110.9T465 K469 Q470 L471 L487T465-E467 VanDerWaalsContact C-N 3.25Å; T465-E467 WeakPolarHBondContact CB-OE2 3.26Å; T465-E467 PolarHBondContact O-N 3.45Å; T465-E467 PolarHBondContact OG1-OE2 3.43Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 PolarHBondContact O-N 2.86Å; E467-Q470 PolarHBondContact O-N 2.83Å; E467-L471 PolarHBondContact O-N 3.39Å; E467-L487 HydrophobicContact CB-CD2 3.78Å
468E98.1Very high96.5Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-62.7-39173.9-65.9177.9144.400111.7T445 R446 S464 T465 W472 L487 R490T445-E468 WeakPolarHBondContact CA-OE1 3.38Å; T445-E468 VanDerWaalsContact CB-OE1 3.31Å; T445-E468 WeakPolarHBondContact CB-OE1 3.17Å; T445-E468 WeakPolarHBondContact OG1-CG 3.16Å; T445-E468 PolarHBondContact OG1-OE1 2.86Å; R446-E468 PolarHBondContact N-OE1 3.49Å; R446-E468 WeakPolarHBondContact O-CB 3.37Å; S464-E468 VanDerWaalsContact CA-OE2 3.27Å; S464-E468 WeakPolarHBondContact CA-OE2 3.18Å; T465-E468 PolarHBondContact N-OE2 3.02Å; T465-E468 PolarHBondContact O-N 3.02Å; T465-E468 WeakPolarHBondContact OG1-CG 3.23Å; E468-W472 PolarHBondContact O-N 2.83Å; E468-L487 HydrophobicContact CG-CD1 4.3Å; E468-L487 HydrophobicContact CG-CD2 4.31Å; E468-R490 IonicContact OE1-CZ 3.34Å; E468-R490 IonicContact OE1-NE 2.68Å; E468-R490 PolarHBondContact OE1-NE 3.17Å; E468-R490 IonicContact OE1-NH2 3.51Å; E468-R490 IonicContact OE2-CZ 3.53Å; E468-R490 IonicContact OE2-NE 3.2Å; E468-R490 PolarHBondContact OE2-NE 2.71Å; E468-R490 IonicContact OE2-NH2 2.91Å; E468-R490 PolarHBondContact OE2-NH2 3.41Å
469K98.2Very high96.4Very high60 Ų6049.1 Ų49.126%0.26126%0.256SS..Hα-helixtrans-66.1-46.1174.7-79.2166169.7155.90112.3L449 G450 S464 T465 P466 E467 L471 W472 Q473L449-K469 WeakPolarHBondContact O-CE 3.3Å; G450-K469 WeakPolarHBondContact O-CE 3.48Å; G450-K469 PolarHBondContact O-NZ 3.19Å; S464-K469 WeakPolarHBondContact O-CD 3.4Å; S464-K469 WeakPolarHBondContact O-CE 3.3Å; S464-K469 PolarHBondContact O-NZ 3.08Å; T465-K469 WeakPolarHBondContact O-CB 3.45Å; T465-K469 VanDerWaalsContact O-CG 3.3Å; T465-K469 WeakPolarHBondContact O-CG 3.16Å; T465-K469 PolarHBondContact O-N 3.45Å; P466-K469 PolarHBondContact O-N 2.87Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 PolarHBondContact O-N 2.86Å; K469-L471 VanDerWaalsContact C-N 3.32Å; K469-L471 PolarHBondContact O-N 3.02Å; K469-W472 PolarHBondContact O-N 3.23Å; K469-Q473 WeakPolarHBondContact O-CB 3.43Å; K469-Q473 VanDerWaalsContact O-CG 3.29Å; K469-Q473 WeakPolarHBondContact O-CG 3.26Å; K469-Q473 PolarHBondContact O-N 3.45Å
470Q98Very high96.4Very high136 Ų13650.6 Ų50.664%0.63627%0.266SS*.Hα-helixtrans-59.9-43.2-179.6-177.9179.6-19.100111.4P466 E467 W472 Q473 A474P466-Q470 WeakPolarHBondContact O-CB 3.46Å; P466-Q470 PolarHBondContact O-N 3.47Å; E467-Q470 PolarHBondContact O-N 2.83Å; Q470-W472 PolarHBondContact O-N 2.91Å; Q470-Q473 PolarHBondContact O-N 2.93Å; Q470-A474 PolarHBondContact O-N 2.61Å
471L98.1Very high96.5Very high11 Ų1153.9 Ų53.96%0.05828%0.277CS..Hα-helixtrans-63.4-41.4176.8-173.464.4000112.1L339 L341 L447 E467 K469 L475 V483 D484 L487L339-L471 HydrophobicContact CD1-CD2 4.26Å; L341-L471 HydrophobicContact CD1-CD2 3.9Å; L341-L471 HydrophobicContact CD1-CG 3.73Å; L341-L471 HydrophobicContact CG-CD2 4.22Å; L341-L471 HydrophobicContact CG-CG 4.3Å; L447-L471 HydrophobicContact CD2-CD2 3.98Å; E467-L471 PolarHBondContact O-N 3.39Å; K469-L471 VanDerWaalsContact C-N 3.32Å; K469-L471 PolarHBondContact O-N 3.02Å; L471-L475 PolarHBondContact O-N 3.22Å; L471-V483 HydrophobicContact CD1-CB 4.31Å; L471-V483 HydrophobicContact CD1-CG1 3.69Å; L471-D484 WeakPolarHBondContact CD1-O 3.48Å; L471-L487 HydrophobicContact CD2-CD1 3.65Å; L471-L487 HydrophobicContact CD2-CG 4.38Å
472W98.1Very high96.7Very high0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-73.5-27.5177.7-166.8-96.9000113.5L341 L359 F361 L422 A427 L447 S448 E468 K469 Q470 L475 L476L341-W472 HydrophobicContact CD1-CE3 4.14Å; L359-W472 HydrophobicContact CD1-CZ3 4.44Å; L359-W472 HydrophobicContact CD2-CH2 3.65Å; L359-W472 HydrophobicContact CD2-CZ3 4.09Å; F361-W472 HydrophobicContact CE1-CZ3 4.48Å; L422-W472 HydrophobicContact CB-CZ2 4.31Å; L422-W472 HydrophobicContact CD2-CH2 4.34Å; L422-W472 HydrophobicContact CD2-CZ2 4.17Å; L422-W472 PolarHBondContact O-NE1 3.4Å; A427-W472 HydrophobicContact CB-CH2 4.3Å; A427-W472 HydrophobicContact CB-CZ3 4.02Å; L447-W472 HydrophobicContact CB-CD2 4.29Å; L447-W472 HydrophobicContact CB-CE3 3.53Å; L447-W472 HydrophobicContact CB-CZ3 4Å; S448-W472 VanDerWaalsContact C-CD1 3.44Å; E468-W472 PolarHBondContact O-N 2.83Å; K469-W472 PolarHBondContact O-N 3.23Å; Q470-W472 PolarHBondContact O-N 2.91Å; W472-L475 HydrophobicContact CD2-CD2 4.02Å; W472-L475 HydrophobicContact CE3-CD2 3.53Å; W472-L475 HydrophobicContact CH2-CD2 4.34Å; W472-L475 HydrophobicContact CZ3-CD2 3.72Å; W472-L476 WeakPolarHBondContact O-CG 3.2Å; W472-L476 PolarHBondContact O-N 3.46Å
473Q97.7Very high96.8Very high90 Ų9058.2 Ų58.242%0.42130%0.295SS..Hα-helixtrans-70.4-48.8172.9-77.1170.7-24.600111.1L449 K469 Q470 L475 L476 E477L449-Q473 HydrophobicContact CD2-CG 3.77Å; K469-Q473 WeakPolarHBondContact O-CB 3.43Å; K469-Q473 VanDerWaalsContact O-CG 3.29Å; K469-Q473 WeakPolarHBondContact O-CG 3.26Å; K469-Q473 PolarHBondContact O-N 3.45Å; Q470-Q473 PolarHBondContact O-N 2.93Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 2.96Å; Q473-L476 WeakPolarHBondContact O-CA 3.34Å; Q473-L476 WeakPolarHBondContact O-CB 3.39Å; Q473-L476 PolarHBondContact O-N 2.78Å; Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.93Å
474A97.4Very high96.9Very high20 Ų2061.2 Ų61.217%0.16531%0.311CS..Hα-helixtrans-59.5-37.817700000112.2Q470 L476 E477 Q478 V483Q470-A474 PolarHBondContact O-N 2.61Å; A474-L476 VanDerWaalsContact C-N 3.27Å; A474-L476 PolarHBondContact O-N 3.4Å; A474-E477 PolarHBondContact O-N 2.86Å; A474-Q478 WeakPolarHBondContact O-CB 3.42Å; A474-Q478 PolarHBondContact O-N 3.48Å; A474-V483 HydrophobicContact CB-CG1 3.62Å; A474-V483 HydrophobicContact CB-CG2 4.31Å
475L96.8Very high96.8Very high0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-56.3-35.7170.9171.367.7000113.7L341 K342 Y343 L359 L471 W472 Q473L341-L475 HydrophobicContact CB-CB 4.49Å; L341-L475 HydrophobicContact CB-CD1 3.84Å; L341-L475 HydrophobicContact CB-CD2 4.17Å; L341-L475 HydrophobicContact CB-CG 4.39Å; L341-L475 HydrophobicContact CD1-CB 4.47Å; L341-L475 HydrophobicContact CD1-CD2 3.93Å; K342-L475 VanDerWaalsContact C-CD1 3.45Å; Y343-L475 VanDerWaalsContact N-CD1 3.28Å; L359-L475 HydrophobicContact CD1-CD1 4.33Å; L359-L475 HydrophobicContact CD1-CD2 3.72Å; L471-L475 PolarHBondContact O-N 3.22Å; W472-L475 HydrophobicContact CD2-CD2 4.02Å; W472-L475 HydrophobicContact CE3-CD2 3.53Å; W472-L475 HydrophobicContact CH2-CD2 4.34Å; W472-L475 HydrophobicContact CZ3-CD2 3.72Å; Q473-L475 VanDerWaalsContact C-N 3.27Å; Q473-L475 PolarHBondContact O-N 2.96Å
476L95.5Very high96.9Very high35 Ų3564.5 Ų64.518%0.18333%0.33CS..Hα-helixtrans-81.7-25.2178.6-68.9169.8000112.9L422 L449 W472 Q473 A474L422-L476 HydrophobicContact CB-CD2 3.61Å; L422-L476 HydrophobicContact CD1-CD2 3.86Å; L422-L476 HydrophobicContact CG-CD2 4.43Å; L449-L476 HydrophobicContact CD1-CD1 4.32Å; L449-L476 HydrophobicContact CD2-CD1 3.93Å; L449-L476 HydrophobicContact CG-CD1 4.29Å; W472-L476 WeakPolarHBondContact O-CG 3.2Å; W472-L476 PolarHBondContact O-N 3.46Å; Q473-L476 WeakPolarHBondContact O-CA 3.34Å; Q473-L476 WeakPolarHBondContact O-CB 3.39Å; Q473-L476 PolarHBondContact O-N 2.78Å; A474-L476 VanDerWaalsContact C-N 3.27Å; A474-L476 PolarHBondContact O-N 3.4Å
477E96.6Very high96.9Very high148 Ų14860.3 Ų60.369%0.69230%0.303SS*.Hα-helixtrans-87.7-24.6179.6-69.3173.6-178.800112.5Q473 A474 P479Q473-E477 WeakPolarHBondContact O-CG 3.41Å; Q473-E477 PolarHBondContact O-N 2.93Å; A474-E477 PolarHBondContact O-N 2.86Å; E477-P479 VanDerWaalsContact C-CD 3.42Å; E477-P479 WeakPolarHBondContact O-CD 3.1Å
478Q95.1Very high96.9Very high100 Ų10057.2 Ų57.247%0.46729%0.291SS..SBendtrans-123.365.4-176.4-57.1-178.2-1.300111.4A474 E481 V483A474-Q478 WeakPolarHBondContact O-CB 3.42Å; A474-Q478 PolarHBondContact O-N 3.48Å; Q478-E481 HydrophobicContact CB-CB 4.25Å; Q478-E481 PolarHBondContact O-N 3.11Å; Q478-V483 HydrophobicContact CB-CG2 4.38Å
479P94.2Very high96.7Very high62 Ų6257.2 Ų57.240%0.40329%0.291SS..THydrogen-bonded Turntrans-62.1151.4174.829-35.6000111.4P345 E477 E481P345-P479 HydrophobicContact CG-CB 4.06Å; E477-P479 VanDerWaalsContact C-CD 3.42Å; E477-P479 WeakPolarHBondContact O-CD 3.1Å; P479-E481 PolarHBondContact O-N 3.29Å; P479-E481 VanDerWaalsContact O-N 3.08Å
480C94.8Very high96.5Very high52 Ų5255.1 Ų55.135%0.35128%0.282SS..THydrogen-bonded Turntrans63.8-12-172.5-58.80000116.5K342 Y343K342-C480 WeakPolarHBondContact CD-O 3.46Å; Y343-C480 PolarHBondContact O-N 3.13Å
481E96.6Very high96.1Very high125 Ų12550.8 Ų50.858%0.58427%0.265SS*.SBendtrans-91.8160.8175.5-70.2-59.2155.100113.1K342 Q478 P479K342-E481 WeakPolarHBondContact CA-O 3.38Å; K342-E481 WeakPolarHBondContact CB-O 3.44Å; K342-E481 WeakPolarHBondContact CG-O 3.15Å; Q478-E481 HydrophobicContact CB-CB 4.25Å; Q478-E481 PolarHBondContact O-N 3.11Å; P479-E481 PolarHBondContact O-N 3.29Å; P479-E481 VanDerWaalsContact O-N 3.08Å
482W97.8Very high95.6Very high100 Ų10055.3 Ų55.338%0.37929%0.289SS..PPolyproline II helixtrans-95117.5174-74.7106.2000111.3S340 L341 K342 H360 W362 T411S340-W482 VanDerWaalsContact CB-CE3 3.47Å; L341-W482 WeakPolarHBondContact O-CA 3.39Å; K342-W482 HydrophobicContact CB-CD2 3.74Å; K342-W482 HydrophobicContact CB-CE3 3.55Å; K342-W482 HydrophobicContact CB-CG 4.36Å; K342-W482 HydrophobicContact CB-CH2 4.24Å; K342-W482 HydrophobicContact CB-CZ2 4.36Å; K342-W482 HydrophobicContact CB-CZ3 3.82Å; H360-W482 HydrophobicContact CB-CH2 3.7Å; H360-W482 HydrophobicContact CB-CZ3 4Å; W362-W482 HydrophobicContact CB-CH2 3.94Å; W362-W482 HydrophobicContact CB-CZ3 3.76Å; T411-W482 HydrophobicContact CG2-CH2 4.17Å
483V98Very high95.2Very high16 Ų1656.8 Ų56.810%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-99.8119.6175.5-1690000109.8S340 L341 L471 A474 Q478S340-V483 CarbonylContact C-O 3.48Å; S340-V483 VanDerWaalsContact CA-O 3.25Å; S340-V483 WeakPolarHBondContact CA-O 3.09Å; L341-V483 PolarHBondContact N-O 2.9Å; L341-V483 PolarHBondContact O-N 2.85Å; L471-V483 HydrophobicContact CD1-CB 4.31Å; L471-V483 HydrophobicContact CD1-CG1 3.69Å; A474-V483 HydrophobicContact CB-CG1 3.62Å; A474-V483 HydrophobicContact CB-CG2 4.31Å; Q478-V483 HydrophobicContact CB-CG2 4.38Å
484D97.9Very high94.8Very high105 Ų10553.7 Ų53.756%0.56129%0.286SS*.EExtended strand (participates in β ladder)trans-85140.7-178.8-96.421.4000113S340 K364 L471S340-D484 WeakPolarHBondContact CB-OD1 3.39Å; S340-D484 PolarHBondContact OG-OD1 3.18Å; K364-D484 IonicContact NZ-OD1 2.82Å; K364-D484 PolarHBondContact NZ-OD1 3.48Å; K364-D484 IonicContact NZ-OD2 2.77Å; K364-D484 PolarHBondContact NZ-OD2 2.86Å; L471-D484 WeakPolarHBondContact CD1-O 3.48Å
485G96Very high94.3Very high15 Ų1557 Ų5716%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-144.1146178.300000114A338 L339A338-G485 WeakPolarHBondContact CA-O 3.21Å; L339-G485 PolarHBondContact N-O 3.37Å; L339-G485 PolarHBondContact O-N 3.29Å
486L97.2Very high93.8Very high89 Ų8960 Ų6047%0.46632%0.317SS..EExtended strand (participates in β ladder)trans-128.4104173.5-178.367.3000108L336 L337 A338L336-L486 HydrophobicContact CB-CD1 3.69Å; L336-L486 HydrophobicContact CB-CG 4.15Å; L336-L486 HydrophobicContact CD1-CD1 4.25Å; L336-L486 HydrophobicContact CD1-CD2 3.94Å; L336-L486 HydrophobicContact CD1-CG 4.04Å; L337-L486 WeakPolarHBondContact O-CA 3.47Å; A338-L486 HydrophobicContact CB-CD1 3.84Å
487L97.4Very high92.4Very high4 Ų466.5 Ų66.52%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-120147.5-165.2-67.6175.6000113L336 L337 L447 E467 E468 L471L336-L487 CarbonylContact C-O 3.59Å; L336-L487 WeakPolarHBondContact CA-O 3.25Å; L337-L487 PolarHBondContact N-O 2.6Å; L337-L487 PolarHBondContact O-N 3.06Å; L447-L487 HydrophobicContact CD2-CD1 3.37Å; E467-L487 HydrophobicContact CB-CD2 3.78Å; E468-L487 HydrophobicContact CG-CD1 4.3Å; E468-L487 HydrophobicContact CG-CD2 4.31Å; L471-L487 HydrophobicContact CD2-CD1 3.65Å; L471-L487 HydrophobicContact CD2-CG 4.38Å
488P95Very high92.2Very high33 Ų3362.5 Ų62.521%0.21434%0.342CS..EExtended strand (participates in β ladder)trans-66.6133.3177.627.5-33.9000111.9S333 R490S333-P488 WeakPolarHBondContact OG-CB 3.48Å; P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 HydrophobicContact CG-CG 4.34Å; P488-R490 PolarHBondContact O-N 2.62Å
489L95.4Very high92.1Very high1 Ų160.5 Ų60.51%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-7882.3170-74.9164.6000109.8S333 R334 G335 L337 A366 L369 L431S333-L489 WeakPolarHBondContact CA-O 3.35Å; S333-L489 PolarHBondContact OG-N 2.84Å; S333-L489 PolarHBondContact OG-O 2.64Å; R334-L489 PolarHBondContact N-O 2.71Å; R334-L489 VanDerWaalsContact N-O 3.13Å; G335-L489 PolarHBondContact O-N 2.99Å; L337-L489 HydrophobicContact CB-CD1 4.48Å; L337-L489 HydrophobicContact CB-CD2 3.96Å; L337-L489 HydrophobicContact CB-CG 4.07Å; L337-L489 HydrophobicContact CD2-CD2 4.41Å; A366-L489 HydrophobicContact CB-CD1 4.25Å; L369-L489 HydrophobicContact CD2-CD1 3.55Å; L431-L489 HydrophobicContact CB-CD1 4.39Å; L431-L489 HydrophobicContact CB-CD2 3.79Å; L431-L489 HydrophobicContact CD2-CD1 3.59Å
490R93.6Very high92Very high15 Ų1560.4 Ų60.46%0.05733%0.332CS..EExtended strand (participates in β ladder)trans-61.8140.3-177-57.6-162.2-75.8126.6-20.4112.4P332 G443 G444 D463 E468 P488 N492 L493P332-R490 WeakPolarHBondContact O-CA 3.1Å; G443-R490 CarbonylContact C-O 3.57Å; G443-R490 WeakPolarHBondContact CA-O 3.49Å; G444-R490 PolarHBondContact N-O 3.28Å; G444-R490 WeakPolarHBondContact O-CA 3.37Å; G444-R490 WeakPolarHBondContact O-CB 3.2Å; G444-R490 PolarHBondContact O-N 3.3Å; D463-R490 PolarHBondContact O-NH2 3.41Å; D463-R490 IonicContact OD2-CZ 3.07Å; D463-R490 IonicContact OD2-NH1 3.83Å; D463-R490 PolarHBondContact OD2-NH1 2.94Å; D463-R490 IonicContact OD2-NH2 3.88Å; D463-R490 PolarHBondContact OD2-NH2 3.48Å; E468-R490 IonicContact OE1-CZ 3.34Å; E468-R490 IonicContact OE1-NE 2.68Å; E468-R490 PolarHBondContact OE1-NE 3.17Å; E468-R490 IonicContact OE1-NH2 3.51Å; E468-R490 IonicContact OE2-CZ 3.53Å; E468-R490 IonicContact OE2-NE 3.2Å; E468-R490 PolarHBondContact OE2-NE 2.71Å; E468-R490 IonicContact OE2-NH2 2.91Å; E468-R490 PolarHBondContact OE2-NH2 3.41Å; P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 HydrophobicContact CG-CG 4.34Å; P488-R490 PolarHBondContact O-N 2.62Å; R490-N492 PolarHBondContact NH1-OD1 3.11Å; R490-L493 HydrophobicContact CB-CG 4.49Å
491T89.9Confident91.8Very high45 Ų4560.9 Ų60.928%0.27633%0.331SS..SBendtrans-90.3-25.816952.30000112.6L331 P332 R334 L493L331-T491 WeakPolarHBondContact O-CB 3.48Å; L331-T491 WeakPolarHBondContact O-CG2 3.38Å; L331-T491 PolarHBondContact O-OG1 3.06Å; P332-T491 PolarHBondContact O-N 2.86Å; R334-T491 HydrophobicContact CG-CG2 4.1Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 3.25Å
492N87Confident91.5Very high107 Ų10756.9 Ų56.957%0.57232%0.315SS*.  trans-93.927.5-169.472.2-13.9000114.2R490 A494R490-N492 PolarHBondContact NH1-OD1 3.11Å; N492-A494 PolarHBondContact O-N 2.83Å
493L90.1Very high91.1Very high31 Ų3154 Ų5416%0.16231%0.311CS..PPolyproline II helixtrans-56.1126.3173.9-72.7165.7000109.8R446 R490 T491R446-L493 HydrophobicContact CB-CD2 4.29Å; R446-L493 HydrophobicContact CG-CD2 3.79Å; R490-L493 HydrophobicContact CB-CG 4.49Å; T491-L493 VanDerWaalsContact C-N 3.34Å; T491-L493 PolarHBondContact O-N 3.25Å
494A88.4Confident90.6Very high24 Ų2456.7 Ų56.720%0.19833%0.326CS..PPolyproline II helixtrans-59.3143.5178.100000111.2R446 P460 D463 N492R446-A494 VanDerWaalsContact CZ-O 3.25Å; R446-A494 PolarHBondContact NH1-O 2.84Å; R446-A494 PolarHBondContact NH2-O 2.95Å; P460-A494 HydrophobicContact CB-CB 4.21Å; P460-A494 VanDerWaalsContact O-CB 3.23Å; P460-A494 WeakPolarHBondContact O-CB 3.44Å; D463-A494 HydrophobicContact CB-CB 4.38Å; N492-A494 PolarHBondContact O-N 2.83Å
495P87.5Confident90Very high90 Ų9053 Ų5358%0.58431%0.308SS*.PPolyproline II helixtrans-59153.4173.527.5-35000110.4P460 T497P460-P495 WeakPolarHBondContact CG-O 3.39Å; P495-T497 VanDerWaalsContact C-N 3.28Å; P495-T497 PolarHBondContact O-N 3.32Å
496R84.9Confident89.5Confident63 Ų6356.2 Ų56.224%0.23832%0.321CS..  trans-79.9-8.5-177.3-63.1-173.5-171.9173.32.3114.2E428E428-R496 IonicContact OE1-CZ 3.75Å; E428-R496 IonicContact OE1-NE 3.23Å; E428-R496 IonicContact OE1-NH2 3.38Å; E428-R496 PolarHBondContact OE1-NH2 2.96Å; E428-R496 IonicContact OE2-CZ 3.46Å; E428-R496 IonicContact OE2-NE 2.84Å; E428-R496 PolarHBondContact OE2-NE 3.47Å; E428-R496 IonicContact OE2-NH2 3.23Å; E428-R496 PolarHBondContact OE2-NH2 2.99Å
497T67.8Low88.8Confident172 Ų17253.2 Ų53.2100%1.05531%0.308SS*.  trans-92.50-174.954.80000112.6P495P495-T497 VanDerWaalsContact C-N 3.28Å; P495-T497 PolarHBondContact O-N 3.32Å

Retrieved 497 of 497 residues in 272.1 ms (Link to these results)