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U6 snRNA-associated Sm-like protein LSm3

Plays a role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex)1. The heptameric LSM2-8 complex binds specifically to the 3'-terminal U-tract of U6 snRNA2.

AlphaFold DB , UniProt , Accession P62310, Species HUMAN (Homo sapiens, Human), Gene LSM3, Length 102 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
1M54.5Low55.5Low243 Ų243147.4 Ų147.4100%1.19779%0.793SS**  0133.50-75.6-176.217400106.3
2A54.5Low56.8Low98 Ų98147 Ų14781%0.8179%0.79SS**  trans83.283-155.900000111.3D4A2-D4 PolarHBondContact O-N 3.29Å
3D55.8Low58.7Low157 Ų157141 Ų14184%0.8476%0.762SS**  trans-55.8125.3155.3-62.2-45.4000106.5V5D3-V5 VanDerWaalsContact C-N 3.35Å; D3-V5 PolarHBondContact O-N 2.91Å
4D52.3Low60.7Low155 Ų155136.6 Ų136.683%0.82974%0.742SS**  trans-54.2103.8171.3-77.2-52.3000107A2 D6A2-D4 PolarHBondContact O-N 3.29Å; D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 3.34Å
5V54.2Low62.8Low126 Ų126137.7 Ų137.776%0.76474%0.74SS**  trans-61.9100.3168.3-81.10000105.2D3 Q7D3-V5 VanDerWaalsContact C-N 3.35Å; D3-V5 PolarHBondContact O-N 2.91Å; V5-Q7 PolarHBondContact O-N 3.38Å
6D51.7Low64.6Low149 Ų149135.6 Ų135.680%0.79772%0.724SS**  trans-48.597.7167.5-83.3-42.3000106.6D4 Q8D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 3.34Å; D6-Q8 PolarHBondContact O-N 3.13Å
7Q53.3Low66.1Low174 Ų174134.2 Ų134.281%0.81373%0.725SS**  trans-64.593.6163.5-70.1178.719.100102.5V5 Q9V5-Q7 PolarHBondContact O-N 3.38Å; Q7-Q9 PolarHBondContact O-N 2.61Å
8Q54.9Low67.5Low175 Ų175129.4 Ų129.482%0.81870%0.698SS**  trans-5592.8167.5-78.5176.5-26.300105.2D6 T10D6-Q8 PolarHBondContact O-N 3.13Å; Q8-T10 PolarHBondContact O-N 2.97Å
9Q55.2Low68.8Low177 Ų177122.9 Ų122.983%0.82766%0.663SS**  trans-62.398.9172.8-162.2167.730.300102.5Q7 T11Q7-Q9 PolarHBondContact O-N 2.61Å; Q9-T11 VanDerWaalsContact C-N 3.27Å; Q9-T11 PolarHBondContact O-N 2.69Å
10T58.6Low70Confident99 Ų99120.9 Ų120.961%0.60765%0.652SS**  trans-60.898.9-175.549.60000106.1Q8 N12Q8-T10 PolarHBondContact O-N 2.97Å; T10-N12 PolarHBondContact O-N 3.46Å
11T65.5Low71.1Confident68 Ų68116 Ų11642%0.41763%0.625SS.*  trans-62.3137.6176.6450000106.5Q9 T13Q9-T11 VanDerWaalsContact C-N 3.27Å; Q9-T11 PolarHBondContact O-N 2.69Å; T11-T13 WeakPolarHBondContact CB-OG1 3.4Å; T11-T13 PolarHBondContact O-N 2.9Å; T11-T13 PolarHBondContact OG1-OG1 2.86Å
12N71.2Confident73Confident143 Ų143107.9 Ų107.977%0.76558%0.581SS**SBendtrans-71.414.1171.3-74.6-20.1000111.7T10T10-N12 PolarHBondContact O-N 3.46Å
13T81.9Confident74.8Confident69 Ų69105.2 Ų105.242%0.42355%0.553SS.*  trans-81141.9174.850.30000109.1T11 E15T11-T13 WeakPolarHBondContact CB-OG1 3.4Å; T11-T13 PolarHBondContact O-N 2.9Å; T11-T13 PolarHBondContact OG1-OG1 2.86Å; T13-E15 PolarHBondContact OG1-OE1 3.4Å; T13-E15 VanDerWaalsContact OG1-OE1 3.13Å
14V86.9Confident76.6Confident79 Ų7997.8 Ų97.848%0.47951%0.513SS..  trans-90.8110.8170.1178.60000106.6D19 L20 L23V14-D19 HydrophobicContact CG1-CB 4.38Å; V14-L20 HydrophobicContact CG1-CD2 4.06Å; V14-L20 HydrophobicContact CG1-CG 3.99Å; V14-L20 HydrophobicContact CG2-CD2 3.77Å; V14-L20 HydrophobicContact CG2-CG 4.47Å; V14-L23 HydrophobicContact CG2-CD1 3.61Å
15E91.3Very high78.7Confident153 Ų15393.7 Ų93.772%0.71549%0.491SS*.  trans-106.7-36.5178.8-66.8179.1-165.400110.6T13 D19T13-E15 PolarHBondContact OG1-OE1 3.4Å; T13-E15 VanDerWaalsContact OG1-OE1 3.13Å; E15-D19 PolarHBondContact N-OD2 2.96Å
16E91.9Very high80.7Confident104 Ų10492.3 Ų92.349%0.48648%0.48SS..SBendtrans-128.1158.8175.861176-167.100112.7L18 D19E16-L18 HydrophobicContact CG-CB 4.47Å; E16-L18 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact O-N 3.13Å; E16-D19 WeakPolarHBondContact CG-OD2 3.3Å; E16-D19 PolarHBondContact N-OD2 2.79Å; E16-D19 VanDerWaalsContact O-CB 3.3Å; E16-D19 WeakPolarHBondContact O-CB 3.36Å; E16-D19 PolarHBondContact O-N 2.87Å
17P90.1Very high82.8Confident113 Ų11388.5 Ų88.573%0.73446%0.457SS*.Hα-helixtrans-55.8-32.6-179.3-27.435.8000114.3D19 L20P17-D19 VanDerWaalsContact C-N 3.26Å; P17-D19 PolarHBondContact O-N 2.85Å; P17-L20 WeakPolarHBondContact O-CB 3.45Å; P17-L20 PolarHBondContact O-N 2.86Å
18L92.3Very high84.8Confident47 Ų4786 Ų8625%0.24644%0.44CS..Hα-helixtrans-69.8-23-179.9-167.163.6000112.6E16 L20 I21 R22 Y46 L50E16-L18 HydrophobicContact CG-CB 4.47Å; E16-L18 PolarHBondContact O-N 2.91Å; E16-L18 VanDerWaalsContact O-N 3.13Å; L18-L20 PolarHBondContact O-N 2.88Å; L18-I21 HydrophobicContact CD1-CB 4.27Å; L18-I21 HydrophobicContact CD1-CG1 4.22Å; L18-I21 WeakPolarHBondContact O-CB 3.48Å; L18-I21 PolarHBondContact O-N 2.84Å; L18-R22 PolarHBondContact O-N 2.89Å; L18-Y46 HydrophobicContact CD1-CD2 4.06Å; L18-Y46 HydrophobicContact CD1-CE2 3.72Å; L18-Y46 HydrophobicContact CD2-CE2 4.16Å; L18-Y46 HydrophobicContact CG-CE2 3.85Å; L18-L50 HydrophobicContact CD1-CD2 3.94Å
19D92Very high86.9Confident7 Ų777.9 Ų77.94%0.03740%0.402CS..Hα-helixtrans-61.4-31.7174.8-67.9-35.6000111.5V14 E15 E16 P17 I21 R22 L23V14-D19 HydrophobicContact CG1-CB 4.38Å; E15-D19 PolarHBondContact N-OD2 2.96Å; E16-D19 WeakPolarHBondContact CG-OD2 3.3Å; E16-D19 PolarHBondContact N-OD2 2.79Å; E16-D19 VanDerWaalsContact O-CB 3.3Å; E16-D19 WeakPolarHBondContact O-CB 3.36Å; E16-D19 PolarHBondContact O-N 2.87Å; P17-D19 VanDerWaalsContact C-N 3.26Å; P17-D19 PolarHBondContact O-N 2.85Å; D19-I21 VanDerWaalsContact C-N 3.26Å; D19-I21 PolarHBondContact O-N 2.71Å; D19-R22 WeakPolarHBondContact O-CB 3.32Å; D19-R22 PolarHBondContact O-N 3.4Å; D19-R22 IonicContact OD1-CZ 2.67Å; D19-R22 IonicContact OD1-NE 3.68Å; D19-R22 IonicContact OD1-NH1 2.67Å; D19-R22 PolarHBondContact OD1-NH1 2.83Å; D19-R22 IonicContact OD1-NH2 2.65Å; D19-R22 PolarHBondContact OD1-NH2 2.92Å; D19-R22 VanDerWaalsContact OD1-NH2 3.09Å; D19-L23 WeakPolarHBondContact O-CB 3.39Å; D19-L23 WeakPolarHBondContact O-CG 3.47Å; D19-L23 PolarHBondContact O-N 2.82Å
20L92Very high88.9Confident82 Ų8272.1 Ų72.143%0.42937%0.373SS..Hα-helixtrans-62.3-36.6175-68.4172.3000111.9V14 P17 L18 S24V14-L20 HydrophobicContact CG1-CD2 4.06Å; V14-L20 HydrophobicContact CG1-CG 3.99Å; V14-L20 HydrophobicContact CG2-CD2 3.77Å; V14-L20 HydrophobicContact CG2-CG 4.47Å; P17-L20 WeakPolarHBondContact O-CB 3.45Å; P17-L20 PolarHBondContact O-N 2.86Å; L18-L20 PolarHBondContact O-N 2.88Å; L20-S24 PolarHBondContact O-N 2.66Å; L20-S24 PolarHBondContact O-OG 3.26Å
21I94.1Very high90.8Very high18 Ų1867.4 Ų67.49%0.09234%0.344CS..Hα-helixtrans-71.1-43.8175.5-51.9-57.9000109.8L18 D19 L23 S24 L25 L43 Y46 L50 M52 V95L18-I21 HydrophobicContact CD1-CB 4.27Å; L18-I21 HydrophobicContact CD1-CG1 4.22Å; L18-I21 WeakPolarHBondContact O-CB 3.48Å; L18-I21 PolarHBondContact O-N 2.84Å; D19-I21 VanDerWaalsContact C-N 3.26Å; D19-I21 PolarHBondContact O-N 2.71Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 2.78Å; I21-S24 WeakPolarHBondContact O-CB 3.41Å; I21-S24 PolarHBondContact O-N 2.78Å; I21-L25 PolarHBondContact O-N 2.86Å; I21-L43 HydrophobicContact CG2-CD2 3.88Å; I21-Y46 HydrophobicContact CG2-CD1 3.94Å; I21-Y46 HydrophobicContact CG2-CD2 3.8Å; I21-Y46 HydrophobicContact CG2-CE1 4.37Å; I21-Y46 HydrophobicContact CG2-CE2 4.23Å; I21-Y46 HydrophobicContact CG2-CG 3.66Å; I21-L50 HydrophobicContact CG1-CD2 4.07Å; I21-M52 HydrophobicContact CG2-CE 4.1Å; I21-V95 HydrophobicContact CD1-CB 3.8Å; I21-V95 HydrophobicContact CD1-CG1 3.64Å; I21-V95 HydrophobicContact CD1-CG2 4.27Å
22R93Very high92.3Very high73 Ų7365.8 Ų65.828%0.27533%0.331SS..Hα-helixtrans-55.1-47175-167.5176.469.3-145.2-3111.9L18 D19 S24 L25 Y46L18-R22 PolarHBondContact O-N 2.89Å; D19-R22 WeakPolarHBondContact O-CB 3.32Å; D19-R22 PolarHBondContact O-N 3.4Å; D19-R22 IonicContact OD1-CZ 2.67Å; D19-R22 IonicContact OD1-NE 3.68Å; D19-R22 IonicContact OD1-NH1 2.67Å; D19-R22 PolarHBondContact OD1-NH1 2.83Å; D19-R22 IonicContact OD1-NH2 2.65Å; D19-R22 PolarHBondContact OD1-NH2 2.92Å; D19-R22 VanDerWaalsContact OD1-NH2 3.09Å; R22-S24 PolarHBondContact O-N 2.85Å; R22-L25 HydrophobicContact CG-CD1 4.49Å; R22-L25 WeakPolarHBondContact O-CB 3.25Å; R22-L25 WeakPolarHBondContact O-CG 3.36Å; R22-L25 PolarHBondContact O-N 2.81Å; R22-Y46 HydrophobicContact CB-CE1 4.33Å; R22-Y46 WeakPolarHBondContact CB-OH 3.43Å; R22-Y46 WeakPolarHBondContact CG-OH 3.48Å
23L92.7Very high93.6Very high41 Ų4159.5 Ų59.522%0.21530%0.298CS..Hα-helixtrans-68.1-17.8179.7-70170.6000113.1V14 D19 I21V14-L23 HydrophobicContact CG2-CD1 3.61Å; D19-L23 WeakPolarHBondContact O-CB 3.39Å; D19-L23 WeakPolarHBondContact O-CG 3.47Å; D19-L23 PolarHBondContact O-N 2.82Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 2.78Å
24S93.9Very high94.3Very high2 Ų264 Ų641%0.01431%0.307CS..THydrogen-bonded Turntrans-92.12.3176.9-53.90000113L20 I21 R22 E27L20-S24 PolarHBondContact O-N 2.66Å; L20-S24 PolarHBondContact O-OG 3.26Å; I21-S24 WeakPolarHBondContact O-CB 3.41Å; I21-S24 PolarHBondContact O-N 2.78Å; R22-S24 PolarHBondContact O-N 2.85Å; S24-E27 PolarHBondContact O-N 2.86Å
25L95.9Very high94.6Very high69 Ų6967.2 Ų67.236%0.36132%0.321SS..THydrogen-bonded Turntrans-57.3140.2173.3-81.6173.4000110.3I21 R22 E27 L43 Y46I21-L25 PolarHBondContact O-N 2.86Å; R22-L25 HydrophobicContact CG-CD1 4.49Å; R22-L25 WeakPolarHBondContact O-CB 3.25Å; R22-L25 WeakPolarHBondContact O-CG 3.36Å; R22-L25 PolarHBondContact O-N 2.81Å; L25-E27 PolarHBondContact O-N 3.18Å; L25-E27 VanDerWaalsContact O-N 3.13Å; L25-L43 HydrophobicContact CD2-CD2 4.36Å; L25-L43 HydrophobicContact CD2-CG 4.24Å; L25-Y46 HydrophobicContact CD1-CE1 3.99Å; L25-Y46 HydrophobicContact CD2-CD1 3.87Å; L25-Y46 HydrophobicContact CD2-CE1 4.13Å; L25-Y46 HydrophobicContact CG-CD1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 3.99Å
26D96.1Very high94.6Very high97 Ų9764.1 Ų64.152%0.51931%0.31SS..THydrogen-bonded Turntrans67.6-1.1-178-150.154.3000115.1R42 L43D26-R42 WeakPolarHBondContact O-CG 3.2Å; D26-R42 PolarHBondContact O-NE 2.89Å; D26-R42 IonicContact OD1-CZ 3.09Å; D26-R42 IonicContact OD1-NE 3.05Å; D26-R42 PolarHBondContact OD1-NE 3.2Å; D26-R42 VanDerWaalsContact OD1-NE 3.13Å; D26-R42 IonicContact OD1-NH1 3.81Å; D26-R42 IonicContact OD1-NH2 2.78Å; D26-R42 PolarHBondContact OD1-NH2 3.27Å; D26-R42 IonicContact OD2-CZ 2.93Å; D26-R42 IonicContact OD2-NE 3.13Å; D26-R42 IonicContact OD2-NH2 2.61Å; D26-R42 PolarHBondContact OD2-NH2 2.83Å; D26-L43 PolarHBondContact N-O 2.85Å
27E96.3Very high94.9Very high69 Ų6962.6 Ų62.632%0.32230%0.3SS..SBendtrans-101.2162.1177.4-54.6-167114.500112.5S24 L25 R42 L43 P98S24-E27 PolarHBondContact O-N 2.86Å; L25-E27 PolarHBondContact O-N 3.18Å; L25-E27 VanDerWaalsContact O-N 3.13Å; E27-R42 CarbonylContact O-C 3.53Å; E27-R42 VanDerWaalsContact O-CA 3.3Å; E27-R42 WeakPolarHBondContact O-CA 3.45Å; E27-L43 PolarHBondContact O-N 2.84Å; E27-P98 HydrophobicContact CB-CG 3.84Å; E27-P98 VanDerWaalsContact CD-CG 3.46Å; E27-P98 HydrophobicContact CG-CG 4.27Å; E27-P98 WeakPolarHBondContact OE2-CG 3.49Å
28R96.3Very high95.2Very high122 Ų12259.6 Ų59.646%0.4628%0.276SS..EExtended strand (participates in β ladder)trans-84115.3175.9-166.4172.8-175.892.4-0.2110.1R40 G41 D56R28-R40 PolarHBondContact NH2-O 2.9Å; R28-G41 CarbonylContact C-O 3.59Å; R28-G41 WeakPolarHBondContact CA-O 3.35Å; R28-D56 PolarHBondContact NH1-O 2.78Å; R28-D56 PolarHBondContact NH2-O 3.4Å
29I97.4Very high95.5Very high4 Ų457.3 Ų57.32%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-107.8162.3-17963166.1000111.7V31 R40 G41 L43 M52 L54 V95I29-V31 HydrophobicContact CD1-CG2 3.63Å; I29-V31 HydrophobicContact CG1-CG2 4.11Å; I29-R40 WeakPolarHBondContact O-CA 3.45Å; I29-G41 PolarHBondContact N-O 2.67Å; I29-G41 PolarHBondContact O-N 3.2Å; I29-L43 HydrophobicContact CD1-CB 3.96Å; I29-L43 HydrophobicContact CD1-CD1 4.12Å; I29-L43 HydrophobicContact CD1-CD2 4.27Å; I29-L43 HydrophobicContact CD1-CG 4.33Å; I29-L43 HydrophobicContact CG1-CB 4.19Å; I29-L43 HydrophobicContact CG2-CB 4.38Å; I29-M52 HydrophobicContact CD1-SD 3.94Å; I29-L54 HydrophobicContact CD1-CD2 3.97Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; I29-V95 HydrophobicContact CD1-CG1 3.9Å
30Y97.7Very high95.8Very high55 Ų5563.2 Ų63.222%0.21629%0.286CS..EExtended strand (participates in β ladder)trans-108134.4167169.4-93000110.1K32 E38 L39 R40 L94 V95 A96Y30-K32 HydrophobicContact CE1-CB 4.09Å; Y30-E38 HydrophobicContact CE2-CB 3.97Å; Y30-E38 HydrophobicContact CE2-CG 4.13Å; Y30-E38 VanDerWaalsContact CE2-OE2 3.3Å; Y30-E38 WeakPolarHBondContact CE2-OE2 3.19Å; Y30-E38 WeakPolarHBondContact OH-CG 3.31Å; Y30-E38 PolarHBondContact OH-OE1 2.65Å; Y30-E38 PolarHBondContact OH-OE2 2.67Å; Y30-L39 CarbonylContact C-O 3.51Å; Y30-L39 WeakPolarHBondContact CA-O 3.45Å; Y30-R40 HydrophobicContact CD2-CG 3.85Å; Y30-L94 HydrophobicContact CD1-CD1 4.05Å; Y30-L94 HydrophobicContact CE1-CD1 3.97Å; Y30-V95 WeakPolarHBondContact O-CA 3.28Å; Y30-A96 HydrophobicContact CD1-CB 4.09Å; Y30-A96 PolarHBondContact N-O 3.13Å; Y30-A96 VanDerWaalsContact N-O 3.17Å; Y30-A96 PolarHBondContact O-N 3.19Å
31V98.1Very high96.1Very high0 Ų059.3 Ų59.30%027%0.265CS..EExtended strand (participates in β ladder)trans-128.1119.1177.8-172.40000109.1I29 M33 L39 M52 L54 V92 L94 V95I29-V31 HydrophobicContact CD1-CG2 3.63Å; I29-V31 HydrophobicContact CG1-CG2 4.11Å; V31-M33 HydrophobicContact CG1-CG 4.46Å; V31-M33 HydrophobicContact CG1-SD 3.7Å; V31-L39 HydrophobicContact CB-CB 4.23Å; V31-L39 PolarHBondContact N-O 2.94Å; V31-L39 PolarHBondContact O-N 2.8Å; V31-M52 HydrophobicContact CG2-SD 4.32Å; V31-L54 HydrophobicContact CG2-CD1 4.3Å; V31-V92 HydrophobicContact CG1-CG1 3.97Å; V31-V92 HydrophobicContact CG1-CG2 4.12Å; V31-L94 WeakPolarHBondContact CA-O 3.47Å; V31-V95 HydrophobicContact CG1-CG2 4.38Å; V31-V95 HydrophobicContact CG2-CG1 4.41Å; V31-V95 HydrophobicContact CG2-CG2 4.49Å
32K98Very high96.3Very high34 Ų3462.7 Ų62.715%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-87.6125.7167.1-174.366.9170.4-176.90107.8Y30 D36 E38 V93 L94Y30-K32 HydrophobicContact CE1-CB 4.09Å; K32-D36 IonicContact NZ-OD1 2.76Å; K32-D36 PolarHBondContact NZ-OD1 3.03Å; K32-D36 VanDerWaalsContact NZ-OD1 3.13Å; K32-E38 HydrophobicContact CD-CG 3.47Å; K32-E38 VanDerWaalsContact CD-CG 3.47Å; K32-E38 IonicContact NZ-OE1 3.95Å; K32-E38 PolarHBondContact NZ-OE1 3.48Å; K32-V93 HydrophobicContact CB-CB 4.49Å; K32-V93 HydrophobicContact CG-CB 4.37Å; K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 2.85Å; K32-L94 HydrophobicContact CB-CD2 3.55Å; K32-L94 HydrophobicContact CB-CG 3.61Å; K32-L94 HydrophobicContact CG-CD2 4.16Å; K32-L94 PolarHBondContact N-O 3.43Å; K32-L94 PolarHBondContact O-N 3.29Å
33M97.6Very high96.5Very high12 Ų1259.2 Ų59.26%0.05926%0.264CS..EExtended strand (participates in β ladder)trans-102.1165.1173.1-57.1-63.6-70.100109.6V31 R37 L39 V87 G91 V92V31-M33 HydrophobicContact CG1-CG 4.46Å; V31-M33 HydrophobicContact CG1-SD 3.7Å; M33-R37 WeakPolarHBondContact CA-O 3.3Å; M33-R37 HydrophobicContact CB-CB 3.99Å; M33-R37 HydrophobicContact CB-CG 4.16Å; M33-R37 WeakPolarHBondContact CB-O 3.33Å; M33-R37 HydrophobicContact CG-CG 4.39Å; M33-R37 PolarHBondContact N-O 3.32Å; M33-L39 HydrophobicContact CG-CD1 3.89Å; M33-L39 HydrophobicContact CG-CG 4.15Å; M33-L39 HydrophobicContact SD-CD1 4.22Å; M33-V87 HydrophobicContact CE-CG1 3.58Å; M33-V87 HydrophobicContact SD-CG1 3.69Å; M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.24Å; M33-G91 WeakPolarHBondContact CA-O 3.39Å; M33-G91 VanDerWaalsContact CE-C 3.43Å; M33-V92 HydrophobicContact CE-CG2 4.11Å; M33-V92 HydrophobicContact SD-CB 4.31Å; M33-V92 HydrophobicContact SD-CG2 3.66Å
34R96.1Very high96.8Very high162 Ų16261.2 Ų61.261%0.61127%0.272SS*.THydrogen-bonded Turntrans-57.3159.7167-64.5-178.8-171.8-153.71.4111.1D90 G91 V93R34-D90 PolarHBondContact NE-O 2.75Å; R34-D90 PolarHBondContact NH2-O 2.89Å; R34-G91 PolarHBondContact N-O 3.36Å; R34-V93 HydrophobicContact CG-CG2 3.85Å
35N93.4Very high97Very high147 Ų14763.3 Ų63.379%0.78629%0.289SS*.THydrogen-bonded Turntrans60.644.7176.9-49.5-27.1000113R37N35-R37 PolarHBondContact O-N 3.09Å
36D92.7Very high97.1Very high88 Ų8863.1 Ų63.147%0.47128%0.284SS..THydrogen-bonded Turntrans5036.3175.5-68.5-61.6000115.7K32 T62K32-D36 IonicContact NZ-OD1 2.76Å; K32-D36 PolarHBondContact NZ-OD1 3.03Å; K32-D36 VanDerWaalsContact NZ-OD1 3.13Å; D36-T62 PolarHBondContact O-N 2.88Å; D36-T62 VanDerWaalsContact O-N 3.12Å
37R96.7Very high97.1Very high73 Ų7361.3 Ų61.328%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-102.3133.6176176.5176.7175.1-149.6-0.8109.9M33 N35 E59 T60 V61M33-R37 WeakPolarHBondContact CA-O 3.3Å; M33-R37 HydrophobicContact CB-CB 3.99Å; M33-R37 HydrophobicContact CB-CG 4.16Å; M33-R37 WeakPolarHBondContact CB-O 3.33Å; M33-R37 HydrophobicContact CG-CG 4.39Å; M33-R37 PolarHBondContact N-O 3.32Å; N35-R37 PolarHBondContact O-N 3.09Å; R37-E59 HydrophobicContact CG-CG 4.3Å; R37-E59 IonicContact CZ-OE1 2.67Å; R37-E59 IonicContact NE-OE1 3.3Å; R37-E59 PolarHBondContact NE-OE1 3.36Å; R37-E59 IonicContact NH2-OE1 3.04Å; R37-E59 PolarHBondContact NH2-OE1 2.67Å; R37-T60 WeakPolarHBondContact CA-O 3Å; R37-V61 HydrophobicContact CB-CG2 4.42Å; R37-V61 HydrophobicContact CG-CG2 4.12Å
38E98Very high97.1Very high49 Ų4966 Ų6623%0.22930%0.296CS..EExtended strand (participates in β ladder)trans-130.4134.8-175-66.7-177-159.900109.6Y30 K32 E59 T60Y30-E38 HydrophobicContact CE2-CB 3.97Å; Y30-E38 HydrophobicContact CE2-CG 4.13Å; Y30-E38 VanDerWaalsContact CE2-OE2 3.3Å; Y30-E38 WeakPolarHBondContact CE2-OE2 3.19Å; Y30-E38 WeakPolarHBondContact OH-CG 3.31Å; Y30-E38 PolarHBondContact OH-OE1 2.65Å; Y30-E38 PolarHBondContact OH-OE2 2.67Å; K32-E38 HydrophobicContact CD-CG 3.47Å; K32-E38 VanDerWaalsContact CD-CG 3.47Å; K32-E38 IonicContact NZ-OE1 3.95Å; K32-E38 PolarHBondContact NZ-OE1 3.48Å; E38-E59 CarbonylContact O-C 3.49Å; E38-E59 WeakPolarHBondContact O-CA 3.21Å; E38-T60 PolarHBondContact N-O 3Å; E38-T60 PolarHBondContact O-N 3.16Å
39L98.3Very high97Very high0 Ų067 Ų670%031%0.306CS..EExtended strand (participates in β ladder)trans-121.7135.6-179.2-52.2174000109.4Y30 V31 M33 L54 V57 E59 L85 V87Y30-L39 CarbonylContact C-O 3.51Å; Y30-L39 WeakPolarHBondContact CA-O 3.45Å; V31-L39 HydrophobicContact CB-CB 4.23Å; V31-L39 PolarHBondContact N-O 2.94Å; V31-L39 PolarHBondContact O-N 2.8Å; M33-L39 HydrophobicContact CG-CD1 3.89Å; M33-L39 HydrophobicContact CG-CG 4.15Å; M33-L39 HydrophobicContact SD-CD1 4.22Å; L39-L54 HydrophobicContact CB-CD1 4.22Å; L39-L54 HydrophobicContact CD1-CD1 4.22Å; L39-V57 HydrophobicContact CB-CG1 4.17Å; L39-V57 HydrophobicContact CD2-CG1 4.13Å; L39-E59 HydrophobicContact CD2-CB 3.73Å; L39-E59 HydrophobicContact CD2-CG 3.63Å; L39-E59 WeakPolarHBondContact CD2-OE1 3.46Å; L39-L85 HydrophobicContact CD1-CD2 3.92Å; L39-L85 HydrophobicContact CD2-CD2 3.87Å; L39-V87 HydrophobicContact CD1-CG1 4.21Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å
40R97.7Very high97Very high131 Ų13169.4 Ų69.449%0.49432%0.318SS..EExtended strand (participates in β ladder)trans-126.2113.9168.4-69.5179.2176.6-166.1-2.8108.7R28 I29 Y30 V57 E58R28-R40 PolarHBondContact NH2-O 2.9Å; I29-R40 WeakPolarHBondContact O-CA 3.45Å; Y30-R40 HydrophobicContact CD2-CG 3.85Å; R40-V57 CarbonylContact O-C 3.59Å; R40-V57 WeakPolarHBondContact O-CA 3.36Å; R40-E58 HydrophobicContact CB-CB 4.48Å; R40-E58 PolarHBondContact N-O 3.36Å; R40-E58 PolarHBondContact O-N 3.38Å
41G97.9Very high97Very high0 Ų068.1 Ų68.10%032%0.315CS..EExtended strand (participates in β ladder)trans-161.5167.3-17500000112R28 I29 G55R28-G41 CarbonylContact C-O 3.59Å; R28-G41 WeakPolarHBondContact CA-O 3.35Å; I29-G41 PolarHBondContact N-O 2.67Å; I29-G41 PolarHBondContact O-N 3.2Å; G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.41Å
42R97.9Very high97Very high89 Ų8968.2 Ų68.234%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-77.2128.2175.7-168.1-179.5-172.2-163.52.8110D26 E27 H44 L54 G55D26-R42 WeakPolarHBondContact O-CG 3.2Å; D26-R42 PolarHBondContact O-NE 2.89Å; D26-R42 IonicContact OD1-CZ 3.09Å; D26-R42 IonicContact OD1-NE 3.05Å; D26-R42 PolarHBondContact OD1-NE 3.2Å; D26-R42 VanDerWaalsContact OD1-NE 3.13Å; D26-R42 IonicContact OD1-NH1 3.81Å; D26-R42 IonicContact OD1-NH2 2.78Å; D26-R42 PolarHBondContact OD1-NH2 3.27Å; D26-R42 IonicContact OD2-CZ 2.93Å; D26-R42 IonicContact OD2-NE 3.13Å; D26-R42 IonicContact OD2-NH2 2.61Å; D26-R42 PolarHBondContact OD2-NH2 2.83Å; E27-R42 CarbonylContact O-C 3.53Å; E27-R42 VanDerWaalsContact O-CA 3.3Å; E27-R42 WeakPolarHBondContact O-CA 3.45Å; R42-H44 PolarHBondContact O-CD2 2.82Å; R42-H44 PolarHBondContact O-N 2.93Å; R42-L54 CarbonylContact O-C 3.54Å; R42-L54 VanDerWaalsContact O-CA 3.25Å; R42-L54 WeakPolarHBondContact O-CA 3.08Å; R42-G55 PolarHBondContact N-O 3Å; R42-G55 PolarHBondContact O-N 3.13Å
43L98.3Very high97Very high0 Ų069.1 Ų69.10%032%0.322CS..EExtended strand (participates in β ladder)trans-79.9111.8177.8-178.963.9000110.5I21 L25 D26 E27 I29 A45 Y46 M52 L54I21-L43 HydrophobicContact CG2-CD2 3.88Å; L25-L43 HydrophobicContact CD2-CD2 4.36Å; L25-L43 HydrophobicContact CD2-CG 4.24Å; D26-L43 PolarHBondContact N-O 2.85Å; E27-L43 PolarHBondContact O-N 2.84Å; I29-L43 HydrophobicContact CD1-CB 3.96Å; I29-L43 HydrophobicContact CD1-CD1 4.12Å; I29-L43 HydrophobicContact CD1-CD2 4.27Å; I29-L43 HydrophobicContact CD1-CG 4.33Å; I29-L43 HydrophobicContact CG1-CB 4.19Å; I29-L43 HydrophobicContact CG2-CB 4.38Å; L43-A45 WeakPolarHBondContact CD1-O 3.06Å; L43-Y46 HydrophobicContact CD2-CD1 4.49Å; L43-M52 HydrophobicContact CD1-CB 3.86Å; L43-M52 HydrophobicContact CD1-CG 3.87Å; L43-M52 HydrophobicContact CD1-SD 3.87Å; L43-L54 HydrophobicContact CB-CD2 4.27Å; L43-L54 HydrophobicContact CD1-CD2 3.74Å
44H98.1Very high97.1Very high83 Ų8368.6 Ų68.638%0.38432%0.319SS..EExtended strand (participates in β ladder)trans-91.5-40.2178.3-75.7-98.6000113.1R42 I53 G55R42-H44 PolarHBondContact O-CD2 2.82Å; R42-H44 PolarHBondContact O-N 2.93Å; H44-I53 HydrophobicContact CB-CB 4.2Å; H44-I53 HydrophobicContact CB-CG2 4.05Å; H44-I53 WeakPolarHBondContact CB-O 3.41Å; H44-I53 PolarHBondContact N-O 2.88Å; H44-G55 PolarHBondContact CD2-N 3.17Å
45A98.1Very high97.2Very high45 Ų4561 Ų6137%0.37229%0.291SS..EExtended strand (participates in β ladder)trans-154.6153.6-177.500000109.9L43 M52 I53L43-A45 WeakPolarHBondContact CD1-O 3.06Å; A45-M52 VanDerWaalsContact O-CA 3.31Å; A45-M52 WeakPolarHBondContact O-CA 3.17Å; A45-I53 HydrophobicContact CB-CB 4.24Å; A45-I53 HydrophobicContact CB-CG1 4.18Å; A45-I53 PolarHBondContact O-N 2.75Å
46Y97.5Very high97.4Very high65 Ų6559.2 Ų59.226%0.25528%0.281SS..EExtended strand (participates in β ladder)trans-145.6167172.673.7-80.4000111L18 I21 R22 L25 L43 N51L18-Y46 HydrophobicContact CD1-CD2 4.06Å; L18-Y46 HydrophobicContact CD1-CE2 3.72Å; L18-Y46 HydrophobicContact CD2-CE2 4.16Å; L18-Y46 HydrophobicContact CG-CE2 3.85Å; I21-Y46 HydrophobicContact CG2-CD1 3.94Å; I21-Y46 HydrophobicContact CG2-CD2 3.8Å; I21-Y46 HydrophobicContact CG2-CE1 4.37Å; I21-Y46 HydrophobicContact CG2-CE2 4.23Å; I21-Y46 HydrophobicContact CG2-CG 3.66Å; R22-Y46 HydrophobicContact CB-CE1 4.33Å; R22-Y46 WeakPolarHBondContact CB-OH 3.43Å; R22-Y46 WeakPolarHBondContact CG-OH 3.48Å; L25-Y46 HydrophobicContact CD1-CE1 3.99Å; L25-Y46 HydrophobicContact CD2-CD1 3.87Å; L25-Y46 HydrophobicContact CD2-CE1 4.13Å; L25-Y46 HydrophobicContact CG-CD1 4.2Å; L25-Y46 HydrophobicContact CG-CE1 3.99Å; L43-Y46 HydrophobicContact CD2-CD1 4.49Å; Y46-N51 WeakPolarHBondContact CA-O 3.36Å
47D96.6Very high97.7Very high59 Ų5955 Ų5532%0.31626%0.259SS..  trans-131.1179.9170.26920.8000112.2H49 L50 N51D47-H49 PolarHBondContact O-N 3.26Å; D47-H49 WeakPolarHBondContact OD1-CA 3.48Å; D47-H49 WeakPolarHBondContact OD1-CB 3.41Å; D47-H49 PolarHBondContact OD1-N 3.02Å; D47-L50 PolarHBondContact O-N 3.38Å; D47-L50 PolarHBondContact OD1-N 2.83Å; D47-L50 VanDerWaalsContact OD1-N 3.16Å; D47-N51 PolarHBondContact N-O 2.76Å; D47-N51 PolarHBondContact OD1-N 3.01Å; D47-N51 PolarHBondContact OD1-ND2 3.37Å; D47-N51 WeakPolarHBondContact OD2-CB 3.18Å; D47-N51 PolarHBondContact OD2-ND2 3.09Å
48Q95.8Very high97.8Very high169 Ų16953.7 Ų53.779%0.7926%0.256SS*.THydrogen-bonded Turntrans-64-20.8-179.9-173.2177.1-14.700113.6L50Q48-L50 VanDerWaalsContact C-N 3.26Å
49H96Very high97.8Very high142 Ų14251.5 Ų51.566%0.65725%0.246SC*.THydrogen-bonded Turntrans-86.72.4175.5-60.6-60.9000112.5D47 N51 G89D47-H49 PolarHBondContact O-N 3.26Å; D47-H49 WeakPolarHBondContact OD1-CA 3.48Å; D47-H49 WeakPolarHBondContact OD1-CB 3.41Å; D47-H49 PolarHBondContact OD1-N 3.02Å; H49-N51 PolarHBondContact O-N 3.22Å; H49-G89 WeakPolarHBondContact O-CA 3.42Å
50L96.4Very high97.8Very high54 Ų5452.5 Ų52.528%0.28325%0.252SS..  trans59.327.7-171.6-59.8174.2000113L18 I21 D47 Q48 M52 G89L18-L50 HydrophobicContact CD1-CD2 3.94Å; I21-L50 HydrophobicContact CG1-CD2 4.07Å; D47-L50 PolarHBondContact O-N 3.38Å; D47-L50 PolarHBondContact OD1-N 2.83Å; D47-L50 VanDerWaalsContact OD1-N 3.16Å; Q48-L50 VanDerWaalsContact C-N 3.26Å; L50-M52 HydrophobicContact CB-CE 4.37Å; L50-M52 HydrophobicContact CD2-CE 4.09Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å
51N98Very high97.7Very high28 Ų2848.2 Ų48.215%0.1524%0.24CC..  trans-66141.7159-56.9-53.5000107.8Y46 D47 H49 F86 V87 R88 G89Y46-N51 WeakPolarHBondContact CA-O 3.36Å; D47-N51 PolarHBondContact N-O 2.76Å; D47-N51 PolarHBondContact OD1-N 3.01Å; D47-N51 PolarHBondContact OD1-ND2 3.37Å; D47-N51 WeakPolarHBondContact OD2-CB 3.18Å; D47-N51 PolarHBondContact OD2-ND2 3.09Å; H49-N51 PolarHBondContact O-N 3.22Å; N51-F86 HydrophobicContact CB-CE2 4.1Å; N51-F86 HydrophobicContact CB-CZ 4.11Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.25Å; N51-V87 WeakPolarHBondContact CA-O 3.3Å; N51-R88 WeakPolarHBondContact OD1-CA 3.3Å; N51-G89 PolarHBondContact OD1-N 2.99Å
52M98.2Very high97.4Very high2 Ų250.3 Ų50.31%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-135.8146.5-176.1-59.2-179.7176.800111.6I21 I29 V31 L43 A45 L50 L54 V87 V95I21-M52 HydrophobicContact CG2-CE 4.1Å; I29-M52 HydrophobicContact CD1-SD 3.94Å; V31-M52 HydrophobicContact CG2-SD 4.32Å; L43-M52 HydrophobicContact CD1-CB 3.86Å; L43-M52 HydrophobicContact CD1-CG 3.87Å; L43-M52 HydrophobicContact CD1-SD 3.87Å; A45-M52 VanDerWaalsContact O-CA 3.31Å; A45-M52 WeakPolarHBondContact O-CA 3.17Å; L50-M52 HydrophobicContact CB-CE 4.37Å; L50-M52 HydrophobicContact CD2-CE 4.09Å; M52-L54 HydrophobicContact CB-CD2 4.13Å; M52-L54 HydrophobicContact CB-CG 4.36Å; M52-V87 HydrophobicContact CB-CB 4.2Å; M52-V87 PolarHBondContact N-O 2.78Å; M52-V87 PolarHBondContact O-N 2.83Å; M52-V95 HydrophobicContact CE-CG1 4.29Å; M52-V95 HydrophobicContact CE-CG2 3.62Å
53I98.5Very high97.1Very high54 Ų5448.9 Ų48.928%0.27725%0.254SS..EExtended strand (participates in β ladder)trans-101.9116.4162.3-56.7-63.1000107.2H44 A45 M84 F86H44-I53 HydrophobicContact CB-CB 4.2Å; H44-I53 HydrophobicContact CB-CG2 4.05Å; H44-I53 WeakPolarHBondContact CB-O 3.41Å; H44-I53 PolarHBondContact N-O 2.88Å; A45-I53 HydrophobicContact CB-CB 4.24Å; A45-I53 HydrophobicContact CB-CG1 4.18Å; A45-I53 PolarHBondContact O-N 2.75Å; I53-M84 HydrophobicContact CG2-CG 4.3Å; I53-F86 HydrophobicContact CD1-CB 4.22Å; I53-F86 HydrophobicContact CD1-CD2 3.67Å; I53-F86 HydrophobicContact CD1-CG 4.44Å
54L98.6Very high96.6Very high0 Ų053.3 Ų53.30%028%0.277CS..EExtended strand (participates in β ladder)trans-109.2138.8176.5-56.9-174.8000110.8I29 V31 L39 R42 L43 M52 V57 M84 L85 V87I29-L54 HydrophobicContact CD1-CD2 3.97Å; I29-L54 HydrophobicContact CG1-CD2 4.25Å; V31-L54 HydrophobicContact CG2-CD1 4.3Å; L39-L54 HydrophobicContact CB-CD1 4.22Å; L39-L54 HydrophobicContact CD1-CD1 4.22Å; R42-L54 CarbonylContact O-C 3.54Å; R42-L54 VanDerWaalsContact O-CA 3.25Å; R42-L54 WeakPolarHBondContact O-CA 3.08Å; L43-L54 HydrophobicContact CB-CD2 4.27Å; L43-L54 HydrophobicContact CD1-CD2 3.74Å; M52-L54 HydrophobicContact CB-CD2 4.13Å; M52-L54 HydrophobicContact CB-CG 4.36Å; L54-V57 HydrophobicContact CB-CG2 3.42Å; L54-V57 VanDerWaalsContact CB-CG2 3.42Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.46Å; L54-L85 PolarHBondContact N-O 2.87Å; L54-L85 PolarHBondContact O-N 3.1Å; L54-V87 HydrophobicContact CD1-CG2 3.77Å; L54-V87 HydrophobicContact CG-CG2 3.97Å
55G98.5Very high96Very high2 Ų253.4 Ų53.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-110.3155173.700000111.9G41 R42 H44 V57 P83G41-G55 CarbonylContact C-O 3.58Å; G41-G55 WeakPolarHBondContact CA-O 3.41Å; R42-G55 PolarHBondContact N-O 3Å; R42-G55 PolarHBondContact O-N 3.13Å; H44-G55 PolarHBondContact CD2-N 3.17Å; G55-V57 VanDerWaalsContact C-N 3.29Å; G55-V57 PolarHBondContact O-N 2.86Å; G55-P83 CarbonylContact C-O 3.6Å; G55-P83 WeakPolarHBondContact CA-O 3.41Å
56D98.2Very high95.5Very high110 Ų11056.5 Ų56.559%0.58829%0.287SS*.EExtended strand (participates in β ladder)trans47.950.2177.9-59.6-44.7000113R28 P83R28-D56 PolarHBondContact NH1-O 2.78Å; R28-D56 PolarHBondContact NH2-O 3.4Å; D56-P83 PolarHBondContact N-O 3.38Å
57V98.5Very high94.9Very high1 Ų155.9 Ų55.91%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-84.3124.2-168-171.10000110.6L39 R40 L54 G55 N81 I82 L85L39-V57 HydrophobicContact CB-CG1 4.17Å; L39-V57 HydrophobicContact CD2-CG1 4.13Å; R40-V57 CarbonylContact O-C 3.59Å; R40-V57 WeakPolarHBondContact O-CA 3.36Å; L54-V57 HydrophobicContact CB-CG2 3.42Å; L54-V57 VanDerWaalsContact CB-CG2 3.42Å; G55-V57 VanDerWaalsContact C-N 3.29Å; G55-V57 PolarHBondContact O-N 2.86Å; V57-N81 CarbonylContact O-C 3.57Å; V57-N81 VanDerWaalsContact O-CA 3.3Å; V57-N81 WeakPolarHBondContact O-CA 3.48Å; V57-I82 HydrophobicContact CB-CB 4.35Å; V57-I82 WeakPolarHBondContact CB-O 3.44Å; V57-I82 PolarHBondContact N-O 3.28Å; V57-I82 PolarHBondContact O-N 3.14Å; V57-L85 HydrophobicContact CG1-CD2 4.07Å; V57-L85 HydrophobicContact CG2-CB 3.96Å
58E98.3Very high94.5Very high45 Ų4561.5 Ų61.521%0.2131%0.312CS..EExtended strand (participates in β ladder)trans-91.8116.9159.8-176.6-17615500107.9R40 K79R40-E58 HydrophobicContact CB-CB 4.48Å; R40-E58 PolarHBondContact N-O 3.36Å; R40-E58 PolarHBondContact O-N 3.38Å; E58-K79 IonicContact OE1-NZ 2.6Å; E58-K79 PolarHBondContact OE1-NZ 2.96Å
59E98.3Very high94.2Very high3 Ų362 Ų621%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-101.3134.6172.2177.5178.6-85.100110R37 E38 L39 V61 K79 R80 I82R37-E59 HydrophobicContact CG-CG 4.3Å; R37-E59 IonicContact CZ-OE1 2.67Å; R37-E59 IonicContact NE-OE1 3.3Å; R37-E59 PolarHBondContact NE-OE1 3.36Å; R37-E59 IonicContact NH2-OE1 3.04Å; R37-E59 PolarHBondContact NH2-OE1 2.67Å; E38-E59 CarbonylContact O-C 3.49Å; E38-E59 WeakPolarHBondContact O-CA 3.21Å; L39-E59 HydrophobicContact CD2-CB 3.73Å; L39-E59 HydrophobicContact CD2-CG 3.63Å; L39-E59 WeakPolarHBondContact CD2-OE1 3.46Å; E59-V61 HydrophobicContact CG-CG2 4.04Å; E59-K79 CarbonylContact O-C 3.58Å; E59-K79 VanDerWaalsContact O-CA 3.28Å; E59-K79 WeakPolarHBondContact O-CA 3.35Å; E59-R80 HydrophobicContact CB-CG 4.13Å; E59-R80 PolarHBondContact N-O 3.4Å; E59-R80 PolarHBondContact O-N 2.8Å; E59-R80 IonicContact OE1-NH2 3.9Å; E59-R80 IonicContact OE2-CZ 3.62Å; E59-R80 IonicContact OE2-NE 2.78Å; E59-R80 PolarHBondContact OE2-NE 3.29Å; E59-R80 IonicContact OE2-NH2 2.69Å; E59-R80 PolarHBondContact OE2-NH2 2.72Å; E59-I82 HydrophobicContact CB-CD1 4.41Å
60T97.7Very high93.9Very high20 Ų2058.8 Ų58.812%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-119.3127.1170.9-57.50000108.9R37 E38 S77 T78 K79R37-T60 WeakPolarHBondContact CA-O 3Å; E38-T60 PolarHBondContact N-O 3Å; E38-T60 PolarHBondContact O-N 3.16Å; T60-S77 WeakPolarHBondContact CG2-OG 3.45Å; T60-T78 WeakPolarHBondContact CA-O 3.31Å; T60-K79 HydrophobicContact CG2-CG 4.26Å
61V95.9Very high93.4Very high42 Ų4265.3 Ų65.326%0.25533%0.327SS..EExtended strand (participates in β ladder)trans-119.9124.9173.9-177.10000108.1R37 E59 T63 S77 T78R37-V61 HydrophobicContact CB-CG2 4.42Å; R37-V61 HydrophobicContact CG-CG2 4.12Å; E59-V61 HydrophobicContact CG-CG2 4.04Å; V61-T63 HydrophobicContact CG1-CG2 4.32Å; V61-S77 WeakPolarHBondContact O-CA 3.44Å; V61-T78 PolarHBondContact N-O 3.01Å; V61-T78 PolarHBondContact O-N 2.84Å
62T92.9Very high93.1Very high43 Ų4370.1 Ų70.126%0.26435%0.349SS..EExtended strand (participates in β ladder)trans-99.8125.2174.9-570000109.6D36 Y75 K76D36-T62 PolarHBondContact O-N 2.88Å; D36-T62 VanDerWaalsContact O-N 3.12Å; T62-Y75 HydrophobicContact CG2-CD1 4.23Å; T62-K76 CarbonylContact C-O 3.58Å; T62-K76 VanDerWaalsContact CA-O 3.31Å; T62-K76 WeakPolarHBondContact CA-O 3.24Å
63T90.2Very high92.6Very high60 Ų6075.6 Ų75.637%0.36837%0.374SS..EExtended strand (participates in β ladder)trans-116141.8175.7570000109.6V61 K76V61-T63 HydrophobicContact CG1-CG2 4.32Å; T63-K76 PolarHBondContact N-O 2.92Å; T63-K76 PolarHBondContact O-N 3.13Å
64I88.2Confident92Very high93 Ų9376.2 Ų76.248%0.47738%0.378SS..EExtended strand (participates in β ladder)trans-96.1120.4172.5-54.6175.5000106.9E73 Y75I64-E73 HydrophobicContact CG2-CB 4.01Å; I64-E73 HydrophobicContact CG2-CG 4.06Å; I64-Y75 HydrophobicContact CD1-CE1 3.79Å; I64-Y75 HydrophobicContact CG1-CD1 3.95Å; I64-Y75 HydrophobicContact CG1-CE1 3.72Å
65E86.4Confident91.5Very high84 Ų8483.1 Ų83.139%0.39341%0.405SS..EExtended strand (participates in β ladder)trans-107.7146168.2-66.8-176.9-16500108.5I74 K76E65-I74 PolarHBondContact N-O 3.22Å; E65-I74 PolarHBondContact O-N 2.6Å; E65-K76 VanDerWaalsContact CD-NZ 3.29Å; E65-K76 WeakPolarHBondContact OE1-CD 3.44Å; E65-K76 IonicContact OE1-NZ 3.29Å; E65-K76 PolarHBondContact OE1-NZ 3.3Å; E65-K76 WeakPolarHBondContact OE2-CE 3.25Å; E65-K76 IonicContact OE2-NZ 3.44Å; E65-K76 PolarHBondContact OE2-NZ 3.03Å
66I86.6Confident91.1Very high111 Ų11187.5 Ų87.557%0.56942%0.423SS*.EExtended strand (participates in β ladder)trans-103.9126.3174.9-59.8173.4000106.8E68I66-E68 PolarHBondContact O-N 2.81Å
67D84.7Confident90.8Very high51 Ų5185.6 Ų85.627%0.27342%0.418SS..  trans-67.9122.1171.7-169.7-66.6000109.5E69 T70 Y71 E72 I74D67-E69 PolarHBondContact O-N 3.31Å; D67-E69 WeakPolarHBondContact OD1-CA 3.13Å; D67-E69 WeakPolarHBondContact OD1-CB 3.38Å; D67-E69 PolarHBondContact OD1-N 3.12Å; D67-T70 WeakPolarHBondContact CB-OG1 3.39Å; D67-T70 PolarHBondContact OD1-N 2.81Å; D67-T70 PolarHBondContact OD1-OG1 2.77Å; D67-Y71 WeakPolarHBondContact O-CA 3.34Å; D67-Y71 PolarHBondContact O-N 2.86Å; D67-E72 PolarHBondContact N-O 3.47Å; D67-I74 HydrophobicContact CB-CD1 3.96Å
68E88.3Confident90.7Very high177 Ų17789.8 Ų89.883%0.82744%0.444SS*.THydrogen-bonded Turntrans-70.3-21-176.2-64.4-173.4167.800113.1I66I66-E68 PolarHBondContact O-N 2.81Å
69E90Very high90.6Very high180 Ų18093.8 Ų93.884%0.84146%0.461SS*.THydrogen-bonded Turntrans-92.5-41-178-60.1-174174.100111.7D67D67-E69 PolarHBondContact O-N 3.31Å; D67-E69 WeakPolarHBondContact OD1-CA 3.13Å; D67-E69 WeakPolarHBondContact OD1-CB 3.38Å; D67-E69 PolarHBondContact OD1-N 3.12Å
70T89.9Confident90.5Very high75 Ų75100.4 Ų100.446%0.4649%0.486SS..THydrogen-bonded Turntrans-101.7-14.2-177.170.20000114.3D67 E72D67-T70 WeakPolarHBondContact CB-OG1 3.39Å; D67-T70 PolarHBondContact OD1-N 2.81Å; D67-T70 PolarHBondContact OD1-OG1 2.77Å; T70-E72 PolarHBondContact O-N 2.99Å; T70-E72 WeakPolarHBondContact OG1-CB 3.48Å; T70-E72 WeakPolarHBondContact OG1-CG 3.39Å; T70-E72 PolarHBondContact OG1-N 3.03Å
71Y85.5Confident90.6Very high191 Ų191106 Ų10675%0.74952%0.515SS*.  trans5821.7-171.4-61.9-80.5000114.5D67D67-Y71 WeakPolarHBondContact O-CA 3.34Å; D67-Y71 PolarHBondContact O-N 2.86Å
72E90.8Very high90.7Very high129 Ų129105.5 Ų105.560%0.60351%0.51SS*.  trans-83.2143.6176.1-66.6-177.3159.800111.4D67 T70 I74D67-E72 PolarHBondContact N-O 3.47Å; T70-E72 PolarHBondContact O-N 2.99Å; T70-E72 WeakPolarHBondContact OG1-CB 3.48Å; T70-E72 WeakPolarHBondContact OG1-CG 3.39Å; T70-E72 PolarHBondContact OG1-N 3.03Å; E72-I74 PolarHBondContact O-N 3.28Å
73E87.7Confident90.9Very high117 Ų117108.4 Ų108.455%0.54753%0.53SS..EExtended strand (participates in β ladder)trans-78.9114.7172.1-70.3-175.7177.500110.4I64 Y75I64-E73 HydrophobicContact CG2-CB 4.01Å; I64-E73 HydrophobicContact CG2-CG 4.06Å; E73-Y75 HydrophobicContact CB-CE2 4.06Å; E73-Y75 PolarHBondContact OE2-OH 3.29Å
74I87.1Confident91.3Very high67 Ų67111.7 Ų111.734%0.34454%0.543SS..EExtended strand (participates in β ladder)trans-101.3117175.8-56.4176.1000109.1E65 D67 E72 K76E65-I74 PolarHBondContact N-O 3.22Å; E65-I74 PolarHBondContact O-N 2.6Å; D67-I74 HydrophobicContact CB-CD1 3.96Å; E72-I74 PolarHBondContact O-N 3.28Å; I74-K76 HydrophobicContact CG2-CG 4.23Å; I74-K76 PolarHBondContact O-N 3.4Å
75Y88.2Confident91.8Very high144 Ų144108.4 Ų108.457%0.56553%0.526SS*.EExtended strand (participates in β ladder)trans-85.6111.3175.4-65.4-99.4000109.6T62 I64 E73T62-Y75 HydrophobicContact CG2-CD1 4.23Å; I64-Y75 HydrophobicContact CD1-CE1 3.79Å; I64-Y75 HydrophobicContact CG1-CD1 3.95Å; I64-Y75 HydrophobicContact CG1-CE1 3.72Å; E73-Y75 HydrophobicContact CB-CE2 4.06Å; E73-Y75 PolarHBondContact OE2-OH 3.29Å
76K90.7Very high92.3Very high94 Ų94110.5 Ų110.541%0.40953%0.534SS..EExtended strand (participates in β ladder)trans-103.2134.7173.1-68.7-168.5-172.8164.90110.3T62 T63 E65 I74T62-K76 CarbonylContact C-O 3.58Å; T62-K76 VanDerWaalsContact CA-O 3.31Å; T62-K76 WeakPolarHBondContact CA-O 3.24Å; T63-K76 PolarHBondContact N-O 2.92Å; T63-K76 PolarHBondContact O-N 3.13Å; E65-K76 VanDerWaalsContact CD-NZ 3.29Å; E65-K76 WeakPolarHBondContact OE1-CD 3.44Å; E65-K76 IonicContact OE1-NZ 3.29Å; E65-K76 PolarHBondContact OE1-NZ 3.3Å; E65-K76 WeakPolarHBondContact OE2-CE 3.25Å; E65-K76 IonicContact OE2-NZ 3.44Å; E65-K76 PolarHBondContact OE2-NZ 3.03Å; I74-K76 HydrophobicContact CG2-CG 4.23Å; I74-K76 PolarHBondContact O-N 3.4Å
77S91.9Very high92.9Very high70 Ų70105.4 Ų105.449%0.4951%0.508SS..EExtended strand (participates in β ladder)trans-114.3121176.3-169.90000109.5T60 V61T60-S77 WeakPolarHBondContact CG2-OG 3.45Å; V61-S77 WeakPolarHBondContact O-CA 3.44Å
78T94.7Very high93.5Very high90 Ų90110 Ų11055%0.55252%0.522SS*.EExtended strand (participates in β ladder)trans-104.2132.6173.9-60.80000109.5T60 V61T60-T78 WeakPolarHBondContact CA-O 3.31Å; V61-T78 PolarHBondContact N-O 3.01Å; V61-T78 PolarHBondContact O-N 2.84Å
79K96.9Very high94Very high129 Ų129102 Ų10256%0.56149%0.487SS*.EExtended strand (participates in β ladder)trans-114.1140176.8-66.6-170.8168.6-1540111.6E58 E59 T60E58-K79 IonicContact OE1-NZ 2.6Å; E58-K79 PolarHBondContact OE1-NZ 2.96Å; E59-K79 CarbonylContact O-C 3.58Å; E59-K79 VanDerWaalsContact O-CA 3.28Å; E59-K79 WeakPolarHBondContact O-CA 3.35Å; T60-K79 HydrophobicContact CG2-CG 4.26Å
80R97.1Very high94.3Very high141 Ų14197.6 Ų97.653%0.53247%0.469SS..EExtended strand (participates in β ladder)trans-145.1150.7171.263.2179.3177.8178.5-0.8112E59 I82E59-R80 HydrophobicContact CB-CG 4.13Å; E59-R80 PolarHBondContact N-O 3.4Å; E59-R80 PolarHBondContact O-N 2.8Å; E59-R80 IonicContact OE1-NH2 3.9Å; E59-R80 IonicContact OE2-CZ 3.62Å; E59-R80 IonicContact OE2-NE 2.78Å; E59-R80 PolarHBondContact OE2-NE 3.29Å; E59-R80 IonicContact OE2-NH2 2.69Å; E59-R80 PolarHBondContact OE2-NH2 2.72Å; R80-I82 HydrophobicContact CG-CD1 4.44Å; R80-I82 HydrophobicContact CG-CG1 4.36Å
81N98.2Very high94.6Very high137 Ų13794.7 Ų94.773%0.73345%0.454SS*.EExtended strand (participates in β ladder)trans-100.4133.4175.4-65-30.1000110.1V57V57-N81 CarbonylContact O-C 3.57Å; V57-N81 VanDerWaalsContact O-CA 3.3Å; V57-N81 WeakPolarHBondContact O-CA 3.48Å
82I98.2Very high95.2Very high32 Ų3286.8 Ų86.816%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-128.5115.6-178.7-52.8175.1000107.5V57 E59 R80 M84 L85V57-I82 HydrophobicContact CB-CB 4.35Å; V57-I82 WeakPolarHBondContact CB-O 3.44Å; V57-I82 PolarHBondContact N-O 3.28Å; V57-I82 PolarHBondContact O-N 3.14Å; E59-I82 HydrophobicContact CB-CD1 4.41Å; R80-I82 HydrophobicContact CG-CD1 4.44Å; R80-I82 HydrophobicContact CG-CG1 4.36Å; I82-M84 VanDerWaalsContact C-N 3.29Å; I82-M84 WeakPolarHBondContact CG2-O 3.49Å; I82-M84 PolarHBondContact O-N 3.25Å; I82-L85 HydrophobicContact CD1-CD1 4.23Å; I82-L85 HydrophobicContact CD1-CD2 4.41Å; I82-L85 HydrophobicContact CG2-CB 4.17Å; I82-L85 HydrophobicContact CG2-CD1 4.48Å
83P98.1Very high95.5Very high104 Ų10485 Ų8568%0.67542%0.423SS*.EExtended strand (participates in β ladder)trans-58.5-38.8-176.6-26.934.8000113.7G55 D56G55-P83 CarbonylContact C-O 3.6Å; G55-P83 WeakPolarHBondContact CA-O 3.41Å; D56-P83 PolarHBondContact N-O 3.38Å
84M98.1Very high95.9Very high129 Ų12983.2 Ų83.264%0.63542%0.417SS*.EExtended strand (participates in β ladder)trans-147.6132.6178.3-171.4169.3-72.600110.1I53 L54 I82I53-M84 HydrophobicContact CG2-CG 4.3Å; L54-M84 CarbonylContact O-C 3.57Å; L54-M84 WeakPolarHBondContact O-CA 3.46Å; I82-M84 VanDerWaalsContact C-N 3.29Å; I82-M84 WeakPolarHBondContact CG2-O 3.49Å; I82-M84 PolarHBondContact O-N 3.25Å
85L98.1Very high96.4Very high25 Ų2581.5 Ų81.513%0.13141%0.41CS..EExtended strand (participates in β ladder)trans-136.2126.7-175.2-177.966.9000110.5L39 L54 V57 I82 V87L39-L85 HydrophobicContact CD1-CD2 3.92Å; L39-L85 HydrophobicContact CD2-CD2 3.87Å; L54-L85 PolarHBondContact N-O 2.87Å; L54-L85 PolarHBondContact O-N 3.1Å; V57-L85 HydrophobicContact CG1-CD2 4.07Å; V57-L85 HydrophobicContact CG2-CB 3.96Å; I82-L85 HydrophobicContact CD1-CD1 4.23Å; I82-L85 HydrophobicContact CD1-CD2 4.41Å; I82-L85 HydrophobicContact CG2-CB 4.17Å; I82-L85 HydrophobicContact CG2-CD1 4.48Å; L85-V87 HydrophobicContact CD2-CG2 3.99Å; L85-V87 HydrophobicContact CG-CG2 4.11Å
86F98.2Very high96.7Very high127 Ų12776.2 Ų76.256%0.55740%0.396SS*.EExtended strand (participates in β ladder)trans-81.9125.1162.7174.9-96.1000109.2N51 I53 R88N51-F86 HydrophobicContact CB-CE2 4.1Å; N51-F86 HydrophobicContact CB-CZ 4.11Å; I53-F86 HydrophobicContact CD1-CB 4.22Å; I53-F86 HydrophobicContact CD1-CD2 3.67Å; I53-F86 HydrophobicContact CD1-CG 4.44Å; F86-R88 HydrophobicContact CE1-CB 4.15Å
87V98.3Very high96.6Very high4 Ų475 Ų752%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-108.9126.3176.6-177.10000108.3M33 L39 N51 M52 L54 L85 V92M33-V87 HydrophobicContact CE-CG1 3.58Å; M33-V87 HydrophobicContact SD-CG1 3.69Å; L39-V87 HydrophobicContact CD1-CG1 4.21Å; L39-V87 HydrophobicContact CD1-CG2 3.61Å; N51-V87 CarbonylContact C-O 3.54Å; N51-V87 VanDerWaalsContact CA-O 3.25Å; N51-V87 WeakPolarHBondContact CA-O 3.3Å; M52-V87 HydrophobicContact CB-CB 4.2Å; M52-V87 PolarHBondContact N-O 2.78Å; M52-V87 PolarHBondContact O-N 2.83Å; L54-V87 HydrophobicContact CD1-CG2 3.77Å; L54-V87 HydrophobicContact CG-CG2 3.97Å; L85-V87 HydrophobicContact CD2-CG2 3.99Å; L85-V87 HydrophobicContact CG-CG2 4.11Å; V87-V92 HydrophobicContact CG1-CG2 4.06Å
88R97.9Very high96.3Very high147 Ų14773.1 Ų73.156%0.55538%0.384SS*.  trans-86.1130.5174.8-163.1-177.8154.570.97.6109.9N51 F86 D90 G91N51-R88 WeakPolarHBondContact OD1-CA 3.3Å; F86-R88 HydrophobicContact CE1-CB 4.15Å; R88-D90 VanDerWaalsContact C-N 3.33Å; R88-D90 WeakPolarHBondContact CB-OD1 3.15Å; R88-D90 WeakPolarHBondContact CD-OD1 3.43Å; R88-D90 WeakPolarHBondContact CG-OD1 3.42Å; R88-D90 IonicContact CZ-OD2 2.72Å; R88-D90 IonicContact NE-OD1 3.06Å; R88-D90 PolarHBondContact NE-OD1 2.92Å; R88-D90 VanDerWaalsContact NE-OD1 3.14Å; R88-D90 IonicContact NE-OD2 3.13Å; R88-D90 PolarHBondContact NE-OD2 3.13Å; R88-D90 IonicContact NH2-OD2 3.14Å; R88-D90 PolarHBondContact NH2-OD2 2.76Å; R88-D90 PolarHBondContact O-N 3.46Å; R88-G91 PolarHBondContact O-N 2.85Å
89G97.7Very high95.6Very high10 Ų1076.8 Ų76.810%0.10340%0.399CS..G310 helixtrans-69.8-22.8-170.900000115.5H49 L50 N51 G91 V92H49-G89 WeakPolarHBondContact O-CA 3.42Å; L50-G89 WeakPolarHBondContact O-CA 3.33Å; N51-G89 PolarHBondContact OD1-N 2.99Å; G89-G91 PolarHBondContact O-N 3.45Å; G89-V92 WeakPolarHBondContact O-CB 3.16Å; G89-V92 PolarHBondContact O-N 3.39Å; G89-V92 VanDerWaalsContact O-N 3.1Å
90D97.3Very high94.6Very high88 Ų8879.6 Ų79.647%0.47141%0.406SS..G310 helixtrans-64.3-27.1177.162.9-17000113.8R34 R88R34-D90 PolarHBondContact NE-O 2.75Å; R34-D90 PolarHBondContact NH2-O 2.89Å; R88-D90 VanDerWaalsContact C-N 3.33Å; R88-D90 WeakPolarHBondContact CB-OD1 3.15Å; R88-D90 WeakPolarHBondContact CD-OD1 3.43Å; R88-D90 WeakPolarHBondContact CG-OD1 3.42Å; R88-D90 IonicContact CZ-OD2 2.72Å; R88-D90 IonicContact NE-OD1 3.06Å; R88-D90 PolarHBondContact NE-OD1 2.92Å; R88-D90 VanDerWaalsContact NE-OD1 3.14Å; R88-D90 IonicContact NE-OD2 3.13Å; R88-D90 PolarHBondContact NE-OD2 3.13Å; R88-D90 IonicContact NH2-OD2 3.14Å; R88-D90 PolarHBondContact NH2-OD2 2.76Å; R88-D90 PolarHBondContact O-N 3.46Å
91G96.5Very high93.4Very high13 Ų1379.5 Ų79.513%0.13442%0.421CS..G310 helixtrans-85.8-10.1175.700000114.3M33 R34 R88 G89M33-G91 CarbonylContact C-O 3.54Å; M33-G91 VanDerWaalsContact CA-O 3.24Å; M33-G91 WeakPolarHBondContact CA-O 3.39Å; M33-G91 VanDerWaalsContact CE-C 3.43Å; R34-G91 PolarHBondContact N-O 3.36Å; R88-G91 PolarHBondContact O-N 2.85Å; G89-G91 PolarHBondContact O-N 3.45Å
92V97.7Very high91.2Very high25 Ų2579.9 Ų79.915%0.15246%0.457CS..EExtended strand (participates in β ladder)trans-75.2128.6-178.3177.50000109.4V31 M33 V87 G89 V95V31-V92 HydrophobicContact CG1-CG1 3.97Å; V31-V92 HydrophobicContact CG1-CG2 4.12Å; M33-V92 HydrophobicContact CE-CG2 4.11Å; M33-V92 HydrophobicContact SD-CB 4.31Å; M33-V92 HydrophobicContact SD-CG2 3.66Å; V87-V92 HydrophobicContact CG1-CG2 4.06Å; G89-V92 WeakPolarHBondContact O-CB 3.16Å; G89-V92 PolarHBondContact O-N 3.39Å; G89-V92 VanDerWaalsContact O-N 3.1Å; V92-V95 HydrophobicContact CG1-CG2 3.68Å
93V97.4Very high90.9Very high91 Ų9182.3 Ų82.355%0.55247%0.472SS*.EExtended strand (participates in β ladder)trans-100.7-44.5175.7177.90000110.1K32 R34K32-V93 HydrophobicContact CB-CB 4.49Å; K32-V93 HydrophobicContact CG-CB 4.37Å; K32-V93 WeakPolarHBondContact O-CB 3.39Å; K32-V93 PolarHBondContact O-N 2.85Å; R34-V93 HydrophobicContact CG-CG2 3.85Å
94L95.8Very high90.5Very high81 Ų8181.1 Ų81.142%0.42446%0.461SS..EExtended strand (participates in β ladder)trans-151153.1175.777.8101.1000111.1Y30 V31 K32 A96Y30-L94 HydrophobicContact CD1-CD1 4.05Å; Y30-L94 HydrophobicContact CE1-CD1 3.97Å; V31-L94 WeakPolarHBondContact CA-O 3.47Å; K32-L94 HydrophobicContact CB-CD2 3.55Å; K32-L94 HydrophobicContact CB-CG 3.61Å; K32-L94 HydrophobicContact CG-CD2 4.16Å; K32-L94 PolarHBondContact N-O 3.43Å; K32-L94 PolarHBondContact O-N 3.29Å; L94-A96 HydrophobicContact CD1-CB 4.23Å
95V96.7Very high90.1Very high31 Ų3178.4 Ų78.419%0.18845%0.451CS..EExtended strand (participates in β ladder)trans-124.3124171.2-176.30000107.4I21 I29 Y30 V31 M52 V92I21-V95 HydrophobicContact CD1-CB 3.8Å; I21-V95 HydrophobicContact CD1-CG1 3.64Å; I21-V95 HydrophobicContact CD1-CG2 4.27Å; I29-V95 HydrophobicContact CD1-CG1 3.9Å; Y30-V95 WeakPolarHBondContact O-CA 3.28Å; V31-V95 HydrophobicContact CG1-CG2 4.38Å; V31-V95 HydrophobicContact CG2-CG1 4.41Å; V31-V95 HydrophobicContact CG2-CG2 4.49Å; M52-V95 HydrophobicContact CE-CG1 4.29Å; M52-V95 HydrophobicContact CE-CG2 3.62Å; V92-V95 HydrophobicContact CG1-CG2 3.68Å
96A95.1Very high89.6Confident33 Ų3381.6 Ų81.627%0.27347%0.47SS..EExtended strand (participates in β ladder)trans-106.3124.1175.500000109.5Y30 L94Y30-A96 HydrophobicContact CD1-CB 4.09Å; Y30-A96 PolarHBondContact N-O 3.13Å; Y30-A96 VanDerWaalsContact N-O 3.17Å; Y30-A96 PolarHBondContact O-N 3.19Å; L94-A96 HydrophobicContact CD1-CB 4.23Å
97P88.5Confident89.1Confident68 Ų6878.8 Ų78.844%0.44247%0.465SS..  trans-63.7163.6173.829.2-34.6000110.4
98P85Confident88.5Confident31 Ų3183.7 Ų83.720%0.20149%0.494CS..  trans-59.9145.9177.624.6-33.1000111.5E27 R100E27-P98 HydrophobicContact CB-CG 3.84Å; E27-P98 VanDerWaalsContact CD-CG 3.46Å; E27-P98 HydrophobicContact CG-CG 4.27Å; E27-P98 WeakPolarHBondContact OE2-CG 3.49Å; P98-R100 PolarHBondContact O-N 3.28Å
99L80.7Confident87.8Confident166 Ų16679.2 Ų79.287%0.86949%0.49SS*.  trans-66.5106.7171-67.6172.3000108.5V101L99-V101 PolarHBondContact O-N 3.4Å; L99-V101 VanDerWaalsContact O-N 3.09Å
100R77Confident87Confident188 Ų18884.5 Ų84.571%0.70952%0.519SS*.  trans-74.897.5170.4-64-177.7179.9177.5-0.1107.8P98 G102P98-R100 PolarHBondContact O-N 3.28Å; R100-G102 PolarHBondContact O-N 2.82Å
101V70.7Confident86.2Confident139 Ų13984.3 Ų84.384%0.84252%0.523SS*.  trans-74.5110.8165.7-168.30000105.8L99L99-V101 PolarHBondContact O-N 3.4Å; L99-V101 VanDerWaalsContact O-N 3.09Å
102G52.9Low85.2Confident145 Ų14590.7 Ų90.7100%1.49556%0.559SS**  trans-710175.300000112.7R100R100-G102 PolarHBondContact O-N 2.82Å

Retrieved 102 of 102 residues in 28 ms (Link to these results)

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