A0A3Q0KTD9_SCHMA Loading...

Signal peptidase complex subunit 3

Essential component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Essential for the SPC catalytic activity, possibly by stabilizing and positioning the active center of the complex close to the lumenal surface.

AlphaFold DB , UniProt , Accession A0A3Q0KTD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 179 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
1M58.3Low87.9Confident246 Ų246115.4 Ų115.4100%1.21260%0.604SS**  0122.50-66.5171.7113.400108S3M1-S3 PolarHBondContact O-N 2.93Å
2H78.2Confident88.5Confident139 Ų139115.7 Ų115.764%0.64461%0.606SS**  trans-74113175.8-77-69.9000109.7T6 R7H2-T6 WeakPolarHBondContact CA-OG1 3.38Å; H2-T6 WeakPolarHBondContact CB-OG1 3.34Å; H2-T6 PolarHBondContact ND1-OG1 2.89Å; H2-R7 HydrophobicContact CB-CG 4.06Å
3S89.2Confident89Confident71 Ų71113.1 Ų113.150%0.49760%0.598SS.*  trans-60.5151.2168.9173.60000110M1 M5 T6 R7M1-S3 PolarHBondContact O-N 2.93Å; S3-M5 PolarHBondContact O-N 2.64Å; S3-M5 VanDerWaalsContact O-N 3.15Å; S3-M5 PolarHBondContact OG-N 2.87Å; S3-T6 PolarHBondContact N-OG1 3.28Å; S3-T6 VanDerWaalsContact N-OG1 3.12Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; S3-R7 PolarHBondContact O-N 3.29Å; S3-R7 VanDerWaalsContact O-N 3.15Å
4I91.5Very high89.5Confident137 Ų137113.2 Ų113.270%0.70360%0.598SS**Hα-helixtrans-49.6-40.9174.4-65.7168.2000110.3T6 R7 C8I4-T6 VanDerWaalsContact C-N 3.35Å; I4-T6 PolarHBondContact O-N 2.85Å; I4-R7 PolarHBondContact O-N 2.85Å; I4-R7 VanDerWaalsContact O-N 3.17Å; I4-C8 PolarHBondContact O-N 2.61Å; I4-C8 PolarHBondContact O-SG 2.9Å
5M90.4Very high89.9Confident144 Ų144111.4 Ų111.471%0.70959%0.594SS**Hα-helixtrans-60.4-40.8177.4-169.362.5178.400112.9S3 C8 S9S3-M5 PolarHBondContact O-N 2.64Å; S3-M5 VanDerWaalsContact O-N 3.15Å; S3-M5 PolarHBondContact OG-N 2.87Å; M5-C8 PolarHBondContact O-N 2.65Å; M5-S9 WeakPolarHBondContact O-CB 3.43Å; M5-S9 PolarHBondContact O-N 3.45Å
6T92.4Very high90.4Very high58 Ų58111.4 Ų111.436%0.35659%0.593SS.*Hα-helixtrans-67-38.1177.261.60000111.6H2 S3 I4 S9 T10H2-T6 WeakPolarHBondContact CA-OG1 3.38Å; H2-T6 WeakPolarHBondContact CB-OG1 3.34Å; H2-T6 PolarHBondContact ND1-OG1 2.89Å; S3-T6 PolarHBondContact N-OG1 3.28Å; S3-T6 VanDerWaalsContact N-OG1 3.12Å; S3-T6 PolarHBondContact O-N 3.11Å; S3-T6 PolarHBondContact O-OG1 3.18Å; I4-T6 VanDerWaalsContact C-N 3.35Å; I4-T6 PolarHBondContact O-N 2.85Å; T6-S9 PolarHBondContact O-N 3.17Å; T6-T10 WeakPolarHBondContact O-CG2 3.35Å; T6-T10 PolarHBondContact O-N 3.32Å; T6-T10 PolarHBondContact O-OG1 3.43Å
7R93.3Very high90.7Very high158 Ų158109.8 Ų109.860%0.59659%0.589SS**Hα-helixtrans-66-44.2176.1-65.3-177.4175.7-174.7-2.2111.6H2 S3 I4 T10 L11H2-R7 HydrophobicContact CB-CG 4.06Å; S3-R7 PolarHBondContact O-N 3.29Å; S3-R7 VanDerWaalsContact O-N 3.15Å; I4-R7 PolarHBondContact O-N 2.85Å; I4-R7 VanDerWaalsContact O-N 3.17Å; R7-T10 WeakPolarHBondContact CA-OG1 3.36Å; R7-T10 PolarHBondContact O-N 3.24Å; R7-T10 PolarHBondContact O-OG1 3.05Å; R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.72Å
8C92.4Very high91.1Very high60 Ų60107 Ų10741%0.40558%0.583SS.*Hα-helixtrans-60.2-45.3174.3-69.90000111.8I4 M5 T10 L11 L12I4-C8 PolarHBondContact O-N 2.61Å; I4-C8 PolarHBondContact O-SG 2.9Å; M5-C8 PolarHBondContact O-N 2.65Å; C8-T10 PolarHBondContact O-N 3.38Å; C8-L11 PolarHBondContact O-N 2.88Å; C8-L12 WeakPolarHBondContact O-CB 3.48Å; C8-L12 WeakPolarHBondContact O-CG 3.5Å; C8-L12 PolarHBondContact O-N 3.16Å
9S93.9Very high91.3Very high63 Ų63108.5 Ų108.544%0.44158%0.58SS.*Hα-helixtrans-61.3-42.7176.8178.40000112.2M5 T6 L11 L12 T13M5-S9 WeakPolarHBondContact O-CB 3.43Å; M5-S9 PolarHBondContact O-N 3.45Å; T6-S9 PolarHBondContact O-N 3.17Å; S9-L11 PolarHBondContact O-N 2.86Å; S9-L12 PolarHBondContact O-N 2.85Å; S9-T13 WeakPolarHBondContact O-CB 3.3Å; S9-T13 PolarHBondContact O-N 3.45Å; S9-T13 PolarHBondContact O-OG1 2.84Å
10T93Very high91.6Very high84 Ų84107.3 Ų107.352%0.51558%0.577SS.*Hα-helixtrans-64.1-39.717650.60000112.6T6 R7 C8 T13 L14T6-T10 WeakPolarHBondContact O-CG2 3.35Å; T6-T10 PolarHBondContact O-N 3.32Å; T6-T10 PolarHBondContact O-OG1 3.43Å; R7-T10 WeakPolarHBondContact CA-OG1 3.36Å; R7-T10 PolarHBondContact O-N 3.24Å; R7-T10 PolarHBondContact O-OG1 3.05Å; C8-T10 PolarHBondContact O-N 3.38Å; T10-T13 PolarHBondContact O-N 3.09Å; T10-L14 WeakPolarHBondContact O-CB 3.47Å; T10-L14 PolarHBondContact O-N 3.21Å
11L94.2Very high91.8Very high109 Ų109104.2 Ų104.257%0.57157%0.566SS**Hα-helixtrans-65.6-46.7176.8-73.7171.4000111.4R7 C8 S9 T13 L14 T15R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.72Å; C8-L11 PolarHBondContact O-N 2.88Å; S9-L11 PolarHBondContact O-N 2.86Å; L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 PolarHBondContact O-N 3.21Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-T15 WeakPolarHBondContact O-CG2 3.31Å; L11-T15 PolarHBondContact O-N 3.35Å; L11-T15 PolarHBondContact O-OG1 3.07Å
12L95.3Very high93.5Very high119 Ų11997.1 Ų97.162%0.62353%0.533SS*.Hα-helixtrans-61.7-40.7176.6-73.2171000112.3C8 S9 T15 L16C8-L12 WeakPolarHBondContact O-CB 3.48Å; C8-L12 WeakPolarHBondContact O-CG 3.5Å; C8-L12 PolarHBondContact O-N 3.16Å; S9-L12 PolarHBondContact O-N 2.85Å; L12-T15 WeakPolarHBondContact CA-OG1 3.44Å; L12-T15 PolarHBondContact O-OG1 3.32Å; L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.89Å
13T95.2Very high94.3Very high82 Ų8292.3 Ų92.350%0.50351%0.511SS..Hα-helixtrans-65.7-42.4178.4-55.40000110.7S9 T10 L11 T17S9-T13 WeakPolarHBondContact O-CB 3.3Å; S9-T13 PolarHBondContact O-N 3.45Å; S9-T13 PolarHBondContact O-OG1 2.84Å; T10-T13 PolarHBondContact O-N 3.09Å; L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 PolarHBondContact O-N 3.21Å; T13-T17 WeakPolarHBondContact O-CB 3.15Å; T13-T17 PolarHBondContact O-N 2.78Å; T13-T17 PolarHBondContact O-OG1 2.81Å
14L95.5Very high94.6Very high115 Ų11593.3 Ų93.360%0.60251%0.51SS*.Hα-helixtrans-65-45.3177.5-179.666.1000111.8T10 L11 T17 A18T10-L14 WeakPolarHBondContact O-CB 3.47Å; T10-L14 PolarHBondContact O-N 3.21Å; L11-L14 PolarHBondContact O-N 2.89Å; L14-T17 WeakPolarHBondContact CA-OG1 3.13Å; L14-T17 PolarHBondContact O-N 3.03Å; L14-T17 PolarHBondContact O-OG1 2.92Å; L14-A18 VanDerWaalsContact O-CB 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.31Å
15T96.4Very high94.7Very high86 Ų8693.2 Ų93.253%0.52851%0.505SS..Hα-helixtrans-66-39.9179.254.90000111.5L11 L12 Y19L11-T15 WeakPolarHBondContact O-CG2 3.31Å; L11-T15 PolarHBondContact O-N 3.35Å; L11-T15 PolarHBondContact O-OG1 3.07Å; L12-T15 WeakPolarHBondContact CA-OG1 3.44Å; L12-T15 PolarHBondContact O-OG1 3.32Å; T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.05Å
16L96.8Very high94.8Very high112 Ų11288.1 Ų88.159%0.58648%0.483SS*.Hα-helixtrans-67.6-45.2177.3-173.361.3000111.9L12 A18 Y19 T20L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 PolarHBondContact O-N 2.89Å; L16-A18 PolarHBondContact O-N 2.82Å; L16-Y19 PolarHBondContact O-N 2.85Å; L16-T20 WeakPolarHBondContact O-CB 3.42Å; L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 2.81Å
17T96.8Very high94.9Very high84 Ų8487.6 Ų87.652%0.51548%0.476SS..Hα-helixtrans-64.1-41176.835.50000112.2T13 L14 T20 A21T13-T17 WeakPolarHBondContact O-CB 3.15Å; T13-T17 PolarHBondContact O-N 2.78Å; T13-T17 PolarHBondContact O-OG1 2.81Å; L14-T17 WeakPolarHBondContact CA-OG1 3.13Å; L14-T17 PolarHBondContact O-N 3.03Å; L14-T17 PolarHBondContact O-OG1 2.92Å; T17-T20 PolarHBondContact O-N 2.84Å; T17-A21 WeakPolarHBondContact O-CB 3.33Å; T17-A21 PolarHBondContact O-N 3.24Å
18A96.4Very high94.9Very high59 Ų5984.7 Ų84.749%0.48847%0.472SS..Hα-helixtrans-61.2-43.7173.600000111.8L14 L16 A21 L22L14-A18 VanDerWaalsContact O-CB 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 3.31Å; L16-A18 PolarHBondContact O-N 2.82Å; A18-A21 PolarHBondContact O-N 3.42Å; A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 2.73Å
19Y96Very high94.9Very high135 Ų13584.3 Ų84.353%0.52947%0.47SS..Hα-helixtrans-65.5-44176.6-171.6-103.7000112T15 L16 A21 L22 M23T15-Y19 WeakPolarHBondContact O-CB 3.36Å; T15-Y19 PolarHBondContact O-N 3.05Å; L16-Y19 PolarHBondContact O-N 2.85Å; Y19-A21 PolarHBondContact O-N 2.89Å; Y19-L22 PolarHBondContact O-N 2.93Å; Y19-M23 HydrophobicContact CD1-CG 3.91Å; Y19-M23 HydrophobicContact CE1-CE 4.01Å; Y19-M23 HydrophobicContact CE1-CG 3.62Å; Y19-M23 HydrophobicContact CE1-SD 4.13Å; Y19-M23 HydrophobicContact CE2-CG 4.36Å; Y19-M23 HydrophobicContact CE2-SD 4.44Å; Y19-M23 HydrophobicContact CG-CG 4.4Å; Y19-M23 WeakPolarHBondContact O-CB 3.43Å; Y19-M23 WeakPolarHBondContact O-CG 3.33Å; Y19-M23 PolarHBondContact O-N 2.91Å
20T96.1Very high94.9Very high84 Ų8482.1 Ų82.152%0.51545%0.454SS..Hα-helixtrans-61-43175.8-60.50000111.7L16 T17 M23 L24L16-T20 WeakPolarHBondContact O-CB 3.42Å; L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 2.81Å; T17-T20 PolarHBondContact O-N 2.84Å; T20-M23 PolarHBondContact O-N 3Å; T20-L24 WeakPolarHBondContact O-CB 3.5Å; T20-L24 PolarHBondContact O-N 2.82Å
21A96.4Very high94.7Very high43 Ų4381 Ų8136%0.35545%0.447SS..Hα-helixtrans-62.7-44.8175.900000111.4T17 A18 Y19 M23 L24 F25T17-A21 WeakPolarHBondContact O-CB 3.33Å; T17-A21 PolarHBondContact O-N 3.24Å; A18-A21 PolarHBondContact O-N 3.42Å; Y19-A21 PolarHBondContact O-N 2.89Å; A21-M23 PolarHBondContact O-N 2.95Å; A21-L24 PolarHBondContact O-N 3.05Å; A21-F25 HydrophobicContact CB-CE2 4.32Å; A21-F25 WeakPolarHBondContact O-CD2 2.98Å; A21-F25 WeakPolarHBondContact O-CG 3.06Å; A21-F25 PolarHBondContact O-N 2.73Å
22L95.2Very high94.3Very high97 Ų9780.9 Ų80.951%0.50846%0.455SS..Hα-helixtrans-60.5-45.2175.7-178134.1000111.8A18 Y19 L24 F25 C26A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 2.73Å; Y19-L22 PolarHBondContact O-N 2.93Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 2.88Å; L22-F25 PolarHBondContact O-N 3.02Å; L22-C26 WeakPolarHBondContact O-CB 3.23Å; L22-C26 PolarHBondContact O-N 2.78Å; L22-C26 PolarHBondContact O-SG 3.05Å; L22-C26 VanDerWaalsContact O-SG 3.33Å
23M94.7Very high94Very high38 Ų3878.1 Ų78.119%0.18744%0.44CS..Hα-helixtrans-61.8-39.8176.8-71.8-66.2-97.300111.9Y19 T20 A21 C26 F27 I155Y19-M23 HydrophobicContact CD1-CG 3.91Å; Y19-M23 HydrophobicContact CE1-CE 4.01Å; Y19-M23 HydrophobicContact CE1-CG 3.62Å; Y19-M23 HydrophobicContact CE1-SD 4.13Å; Y19-M23 HydrophobicContact CE2-CG 4.36Å; Y19-M23 HydrophobicContact CE2-SD 4.44Å; Y19-M23 HydrophobicContact CG-CG 4.4Å; Y19-M23 WeakPolarHBondContact O-CB 3.43Å; Y19-M23 WeakPolarHBondContact O-CG 3.33Å; Y19-M23 PolarHBondContact O-N 2.91Å; T20-M23 PolarHBondContact O-N 3Å; A21-M23 PolarHBondContact O-N 2.95Å; M23-C26 PolarHBondContact O-N 2.82Å; M23-F27 WeakPolarHBondContact O-CB 3.33Å; M23-F27 PolarHBondContact O-N 2.89Å; M23-I155 HydrophobicContact CB-CG1 4.15Å; M23-I155 HydrophobicContact CE-CB 3.63Å; M23-I155 HydrophobicContact CE-CD1 3.99Å; M23-I155 HydrophobicContact CE-CG1 3.98Å; M23-I155 HydrophobicContact CE-CG2 4.31Å; M23-I155 WeakPolarHBondContact O-CG2 3.38Å; M23-I155 HydrophobicContact SD-CB 3.99Å; M23-I155 HydrophobicContact SD-CG1 4.43Å; M23-I155 HydrophobicContact SD-CG2 4Å
24L95Very high93.6Very high92 Ų9281.8 Ų81.848%0.48245%0.445SS..Hα-helixtrans-65-43.3174.6-178.3142.4000111.8T20 A21 L22 F27 L28T20-L24 WeakPolarHBondContact O-CB 3.5Å; T20-L24 PolarHBondContact O-N 2.82Å; A21-L24 PolarHBondContact O-N 3.05Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 2.88Å; L24-F27 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CD2-CD1 3.55Å; L24-L28 HydrophobicContact CD2-CG 4.26Å; L24-L28 HydrophobicContact CG-CD1 4.32Å; L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.29Å; L24-L28 PolarHBondContact O-N 2.78Å
25F94.1Very high93.3Very high136 Ų13678.1 Ų78.160%0.59643%0.428SS*.Hα-helixtrans-67.2-38.5175.3-67.1-52.3000112.6A21 L22 F27 L28 S29A21-F25 HydrophobicContact CB-CE2 4.32Å; A21-F25 WeakPolarHBondContact O-CD2 2.98Å; A21-F25 WeakPolarHBondContact O-CG 3.06Å; A21-F25 PolarHBondContact O-N 2.73Å; L22-F25 PolarHBondContact O-N 3.02Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 2.88Å; F25-L28 PolarHBondContact O-N 2.84Å; F25-S29 VanDerWaalsContact O-CB 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.29Å; F25-S29 PolarHBondContact O-N 3.2Å; F25-S29 PolarHBondContact O-OG 3.46Å; F25-S29 VanDerWaalsContact O-OG 3.11Å
26C92.7Very high93.1Very high36 Ų3676.7 Ų76.724%0.24342%0.422CS..Hα-helixtrans-60.4-42.8172.4-73.40000111.4L22 M23 S29 T30 I155L22-C26 WeakPolarHBondContact O-CB 3.23Å; L22-C26 PolarHBondContact O-N 2.78Å; L22-C26 PolarHBondContact O-SG 3.05Å; L22-C26 VanDerWaalsContact O-SG 3.33Å; M23-C26 PolarHBondContact O-N 2.82Å; C26-S29 PolarHBondContact O-OG 2.81Å; C26-T30 PolarHBondContact O-N 3.36Å; C26-T30 PolarHBondContact O-OG1 2.89Å; C26-I155 HydrophobicContact CB-CG2 3.88Å
27F93.7Very high92.9Very high47 Ų4771.4 Ų71.421%0.20639%0.394CS..Hα-helixtrans-63-53.7174.6173.2-118.7000112M23 L24 F25 S29 T30 V31 I155 W157M23-F27 WeakPolarHBondContact O-CB 3.33Å; M23-F27 PolarHBondContact O-N 2.89Å; L24-F27 PolarHBondContact O-N 2.87Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 2.88Å; F27-S29 VanDerWaalsContact C-N 3.26Å; F27-S29 PolarHBondContact O-N 2.93Å; F27-T30 PolarHBondContact O-N 2.92Å; F27-T30 PolarHBondContact O-OG1 3.43Å; F27-V31 HydrophobicContact CE2-CG2 4.44Å; F27-V31 HydrophobicContact CZ-CG2 4.25Å; F27-V31 PolarHBondContact O-N 3.5Å; F27-I155 HydrophobicContact CB-CG2 4.39Å; F27-W157 HydrophobicContact CE2-CD2 4.31Å; F27-W157 HydrophobicContact CE2-CG 4.14Å; F27-W157 HydrophobicContact CZ-CD2 4.13Å; F27-W157 AromaticContact CZ-CE2 3.86Å; F27-W157 HydrophobicContact CZ-CG 4.35Å; F27-W157 HydrophobicContact CZ-CZ2 4.28Å; F27-W157 AromaticContact CZ-NE1 3.9Å
28L93.8Very high92.9Very high97 Ų9771.1 Ų71.151%0.50840%0.395SS..Hα-helixtrans-60.3-34.9-179.4-70.6178.9000112.9L24 F25 T30 V31L24-L28 HydrophobicContact CD2-CD1 3.55Å; L24-L28 HydrophobicContact CD2-CG 4.26Å; L24-L28 HydrophobicContact CG-CD1 4.32Å; L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.29Å; L24-L28 PolarHBondContact O-N 2.78Å; F25-L28 PolarHBondContact O-N 2.84Å; L28-T30 PolarHBondContact O-N 2.79Å; L28-V31 WeakPolarHBondContact O-CG1 3.34Å
29S93Very high92.9Very high53 Ų5368.9 Ų68.937%0.37138%0.376SS..Hα-helixtrans-69.1-18.9177.568.20000113.7F25 C26 F27 I33 W81F25-S29 VanDerWaalsContact O-CB 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.29Å; F25-S29 PolarHBondContact O-N 3.2Å; F25-S29 PolarHBondContact O-OG 3.46Å; F25-S29 VanDerWaalsContact O-OG 3.11Å; C26-S29 PolarHBondContact O-OG 2.81Å; F27-S29 VanDerWaalsContact C-N 3.26Å; F27-S29 PolarHBondContact O-N 2.93Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-W81 PolarHBondContact OG-NE1 2.64Å; S29-W81 VanDerWaalsContact OG-NE1 3.15Å
30T92.1Very high92.9Very high17 Ų1767.7 Ų67.710%0.10438%0.378CS..Hα-helixtrans-113.8-11.5-174.855.20000114.7C26 F27 L28 S32 I33 W81 N82C26-T30 PolarHBondContact O-N 3.36Å; C26-T30 PolarHBondContact O-OG1 2.89Å; F27-T30 PolarHBondContact O-N 2.92Å; F27-T30 PolarHBondContact O-OG1 3.43Å; L28-T30 PolarHBondContact O-N 2.79Å; T30-S32 PolarHBondContact O-N 2.92Å; T30-S32 VanDerWaalsContact O-N 3.13Å; T30-I33 HydrophobicContact CG2-CD1 4.33Å; T30-I33 PolarHBondContact O-N 2.88Å; T30-W81 HydrophobicContact CG2-CZ2 3.77Å; T30-N82 HydrophobicContact CG2-CB 3.53Å; T30-N82 PolarHBondContact OG1-ND2 3.34Å
31V89.1Confident92.9Very high60 Ų6064 Ų6436%0.36436%0.356SS..THydrogen-bonded Turntrans-57.1-31.3-178.2740000113.7F27 L28F27-V31 HydrophobicContact CE2-CG2 4.44Å; F27-V31 HydrophobicContact CZ-CG2 4.25Å; F27-V31 PolarHBondContact O-N 3.5Å; L28-V31 WeakPolarHBondContact O-CG1 3.34Å
32S86.5Confident92.9Very high106 Ų10665.6 Ų65.674%0.74136%0.358SS*.THydrogen-bonded Turntrans-96.1-2.4-178.5-54.60000113.9T30 R34T30-S32 PolarHBondContact O-N 2.92Å; T30-S32 VanDerWaalsContact O-N 3.13Å; S32-R34 PolarHBondContact O-N 2.81Å
33I89.2Confident92.8Very high62 Ų6262 Ų6232%0.31834%0.34SS..  trans-90.1109-176.2-61.2178000108.9S29 T30 W81S29-I33 WeakPolarHBondContact O-CD1 3.45Å; T30-I33 HydrophobicContact CG2-CD1 4.33Å; T30-I33 PolarHBondContact O-N 2.88Å; I33-W81 HydrophobicContact CD1-CH2 3.5Å; I33-W81 HydrophobicContact CD1-CZ2 3.94Å; I33-W81 HydrophobicContact CD1-CZ3 4.23Å
34R86.7Confident92.7Very high158 Ų15863 Ų6360%0.59636%0.36SS*.  trans-126.881.2176.5-68.5-176.1-178.6-100.42.6110.8S32 D161S32-R34 PolarHBondContact O-N 2.81Å; R34-D161 IonicContact NH1-OD1 2.73Å
35P88.8Confident92.5Very high39 Ų3965.5 Ų65.525%0.25336%0.363SS..  trans-74.3140.3177.332.5-31.3000109.1L78P35-L78 HydrophobicContact CB-CD2 3.78Å; P35-L78 HydrophobicContact CG-CB 4.43Å; P35-L78 HydrophobicContact CG-CD2 3.74Å; P35-L78 WeakPolarHBondContact O-CD2 3.29Å
36S91.7Very high92.5Very high55 Ų5560.1 Ų60.139%0.38534%0.344SS..  trans-111.1150.9173.3177.40000109.7H77 N164S36-H77 PolarHBondContact O-NE2 3.22Å; S36-N164 PolarHBondContact OG-ND2 3.45Å; S36-N164 PolarHBondContact OG-OD1 3.12Å; S36-N164 VanDerWaalsContact OG-OD1 3.1Å
37A93.9Very high92.5Very high1 Ų159.5 Ų59.51%0.00834%0.338CS..  trans-120.2142178.900000110.9L75 L78 W149 N164A37-L75 HydrophobicContact CB-CD2 3.66Å; A37-L78 HydrophobicContact CB-CD1 4.25Å; A37-L78 HydrophobicContact CB-CD2 4.21Å; A37-L78 HydrophobicContact CB-CG 4.41Å; A37-W149 HydrophobicContact CB-CH2 3.79Å; A37-W149 HydrophobicContact CB-CZ2 4.39Å; A37-W149 HydrophobicContact CB-CZ3 4.45Å; A37-N164 PolarHBondContact O-N 3.07Å
38S95.1Very high92.5Very high78 Ų7857.2 Ų57.255%0.54533%0.328SS..BIsolated β-bridgetrans-76.1136.5169.853.70000110.3S73 N164S38-S73 PolarHBondContact O-OG 3.44Å; S38-N164 WeakPolarHBondContact CA-O 3.04Å
39V96.3Very high92.4Very high13 Ų1353.4 Ų53.48%0.07931%0.308CS..  trans-127.1125.8-179.4-170.30000109.1I41 L71 L147 W149 N164 G165V39-I41 HydrophobicContact CG1-CD1 3.88Å; V39-I41 HydrophobicContact CG1-CG1 3.57Å; V39-L71 HydrophobicContact CG1-CD1 3.66Å; V39-L147 HydrophobicContact CG1-CB 3.78Å; V39-L147 HydrophobicContact CG1-CD2 3.8Å; V39-L147 HydrophobicContact CG1-CG 4.44Å; V39-L147 HydrophobicContact CG2-CB 4.2Å; V39-L147 HydrophobicContact CG2-CD2 3.87Å; V39-W149 HydrophobicContact CG2-CZ3 4.5Å; V39-N164 PolarHBondContact N-O 3.27Å; V39-G165 WeakPolarHBondContact O-CA 3.42Å
40D96.7Very high92.2Very high109 Ų10956.8 Ų56.858%0.58331%0.313SS*.EExtended strand (participates in β ladder)trans-105.7121.3171.3-175.616.6000108.7S72D40-S72 PolarHBondContact N-O 2.77Å; D40-S72 PolarHBondContact O-N 2.88Å
41I96.5Very high91.9Very high7 Ų756.9 Ų56.94%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-127.7131.7-176.1-49.2178.6000107.2V39 I69 D70 L71 L90 L145 L147 H167V39-I41 HydrophobicContact CG1-CD1 3.88Å; V39-I41 HydrophobicContact CG1-CG1 3.57Å; I41-I69 HydrophobicContact CG2-CG2 4.1Å; I41-D70 WeakPolarHBondContact CA-O 3.46Å; I41-L71 HydrophobicContact CD1-CD1 4.48Å; I41-L71 HydrophobicContact CG1-CD1 3.86Å; I41-L90 HydrophobicContact CD1-CD1 3.94Å; I41-L145 HydrophobicContact CG2-CB 4.14Å; I41-L145 HydrophobicContact CG2-CD1 4.04Å; I41-L147 HydrophobicContact CD1-CB 4.38Å; I41-H167 HydrophobicContact CB-CB 3.88Å; I41-H167 HydrophobicContact CG2-CB 4.03Å; I41-H167 VanDerWaalsContact O-CB 3.29Å; I41-H167 WeakPolarHBondContact O-CB 3.44Å; I41-H167 PolarHBondContact O-ND1 2.66Å
42N95.9Very high91.7Very high77 Ų7757.3 Ų57.341%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-137.5146.2172-166.92.7000110I69 D70N42-I69 CarbonylContact O-C 3.57Å; N42-I69 WeakPolarHBondContact O-CA 3.24Å; N42-D70 HydrophobicContact CB-CB 4.19Å; N42-D70 PolarHBondContact N-O 2.86Å; N42-D70 PolarHBondContact O-N 3.02Å
43V93.8Very high91.2Very high20 Ų2053.2 Ų53.212%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-108.4117.3178.21780000108.8A46 T68 L145 F169V43-A46 HydrophobicContact CG1-CB 4.39Å; V43-T68 CarbonylContact C-O 3.59Å; V43-T68 WeakPolarHBondContact CA-O 3.29Å; V43-L145 HydrophobicContact CG2-CD1 3.32Å; V43-L145 HydrophobicContact CG2-CG 4.5Å; V43-F169 HydrophobicContact CB-CB 4.34Å; V43-F169 HydrophobicContact CB-CD1 4.37Å; V43-F169 HydrophobicContact CB-CG 4.21Å; V43-F169 HydrophobicContact CG1-CD1 4.5Å; V43-F169 HydrophobicContact CG1-CD2 4.12Å; V43-F169 HydrophobicContact CG1-CE2 4.46Å; V43-F169 HydrophobicContact CG1-CG 4.15Å; V43-F169 HydrophobicContact CG2-CB 4.45Å; V43-F169 HydrophobicContact CG2-CD1 3.7Å; V43-F169 HydrophobicContact CG2-CE1 4.1Å; V43-F169 HydrophobicContact CG2-CG 4.04Å
44G91.2Very high90.5Very high59 Ų5959.7 Ų59.761%0.60831%0.307SS*.EExtended strand (participates in β ladder)trans-82.7-46.8-179.600000113.2T68G44-T68 PolarHBondContact N-O 2.87Å
45R92.4Very high89.9Confident146 Ų14657.8 Ų57.855%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-143.9131.5-177.9-172.317477.2162.17.1109.7I47 I67 T68R45-I47 HydrophobicContact CG-CD1 4.13Å; R45-I47 HydrophobicContact CG-CG1 4.14Å; R45-I47 VanDerWaalsContact CZ-CD1 3.43Å; R45-I67 CarbonylContact O-C 3.51Å; R45-I67 VanDerWaalsContact O-CA 3.3Å; R45-I67 WeakPolarHBondContact O-CA 3.37Å; R45-T68 PolarHBondContact O-N 3.3Å
46A93.4Very high88.9Confident23 Ų2359.7 Ų59.719%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-124.3127.2173.700000109.1V43 I67 F169 F171V43-A46 HydrophobicContact CG1-CB 4.39Å; A46-I67 HydrophobicContact CB-CG2 3.96Å; A46-F169 HydrophobicContact CB-CD2 3.93Å; A46-F169 HydrophobicContact CB-CE2 3.7Å; A46-F171 HydrophobicContact CB-CD1 3.81Å; A46-F171 HydrophobicContact CB-CE1 3.86Å
47I92.8Very high87.5Confident22 Ų2267 Ų6711%0.11335%0.348CS..EExtended strand (participates in β ladder)trans-129.2145.7-179.8-67.9167.8000108R45 G65 L66 V176 I178R45-I47 HydrophobicContact CG-CD1 4.13Å; R45-I47 HydrophobicContact CG-CG1 4.14Å; R45-I47 VanDerWaalsContact CZ-CD1 3.43Å; I47-G65 CarbonylContact O-C 3.5Å; I47-G65 VanDerWaalsContact O-CA 3.26Å; I47-G65 WeakPolarHBondContact O-CA 3.3Å; I47-L66 PolarHBondContact N-O 3.38Å; I47-L66 PolarHBondContact O-N 2.85Å; I47-V176 HydrophobicContact CG2-CB 3.77Å; I47-V176 HydrophobicContact CG2-CG1 4.41Å; I47-V176 HydrophobicContact CG2-CG2 4.5Å; I47-I178 HydrophobicContact CG2-CD1 4.14Å; I47-I178 HydrophobicContact CG2-CG1 3.84Å
48V93Very high86Confident0 Ų069.9 Ų69.90%037%0.368CS..EExtended strand (participates in β ladder)trans-122.6132.8170.6-1710000108.5D63 L137 F171 Y175 V176V48-D63 HydrophobicContact CG1-CB 4Å; V48-L137 HydrophobicContact CG1-CB 4.19Å; V48-L137 HydrophobicContact CG2-CB 4.22Å; V48-F171 HydrophobicContact CG2-CB 3.86Å; V48-F171 HydrophobicContact CG2-CD1 3.25Å; V48-F171 HydrophobicContact CG2-CE1 3.85Å; V48-F171 HydrophobicContact CG2-CG 3.67Å; V48-Y175 HydrophobicContact CB-CD1 4.39Å; V48-Y175 HydrophobicContact CG1-CD1 3.98Å; V48-Y175 HydrophobicContact CG1-CE1 3.74Å; V48-Y175 WeakPolarHBondContact O-CA 3.34Å; V48-V176 PolarHBondContact O-N 2.81Å
49D91.6Very high84.7Confident17 Ų1769.7 Ų69.79%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-121.7169170.3-162.14.8000109.7L64 V176 I178D49-L64 PolarHBondContact N-O 2.8Å; D49-L64 PolarHBondContact O-N 2.94Å; D49-V176 WeakPolarHBondContact CB-O 3.33Å; D49-I178 HydrophobicContact CB-CB 4.22Å; D49-I178 HydrophobicContact CB-CD1 3.47Å; D49-I178 VanDerWaalsContact CB-CD1 3.47Å; D49-I178 HydrophobicContact CB-CG1 3.71Å; D49-I178 PolarHBondContact OD2-N 3.36Å
50R89.3Confident83.8Confident124 Ų12473.9 Ų73.947%0.46840%0.397SS..EExtended strand (participates in β ladder)trans-97.9126.5170.2-63.1-173.7-175.7132.2-6.1109.4Y175R50-Y175 HydrophobicContact CG-CD1 3.67Å; R50-Y175 HydrophobicContact CG-CD2 4.25Å; R50-Y175 HydrophobicContact CG-CE1 3.5Å; R50-Y175 VanDerWaalsContact CG-CE1 3.5Å; R50-Y175 HydrophobicContact CG-CE2 4.12Å; R50-Y175 HydrophobicContact CG-CG 4.03Å; R50-Y175 VanDerWaalsContact NH2-CD2 3.28Å
51A86.7Confident83.2Confident18 Ų1871.8 Ų71.815%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-112.5136.7172.500000110.2Q61 N62 L64 W131A51-Q61 CarbonylContact O-C 3.52Å; A51-Q61 WeakPolarHBondContact O-CA 3.46Å; A51-N62 PolarHBondContact N-O 3.2Å; A51-N62 PolarHBondContact O-N 2.95Å; A51-L64 HydrophobicContact CB-CB 3.86Å; A51-L64 HydrophobicContact CB-CD1 4.46Å; A51-L64 HydrophobicContact CB-CD2 4.19Å; A51-L64 HydrophobicContact CB-CG 4.41Å; A51-W131 HydrophobicContact CB-CH2 3.74Å; A51-W131 HydrophobicContact CB-CZ3 3.62Å
52D83.2Confident82.8Confident69 Ų6971.5 Ų71.537%0.36938%0.382SS..EExtended strand (participates in β ladder)trans-72.7129.7173-57.3-46.9000109.5Y54 Q61D52-Y54 HydrophobicContact CB-CE1 4.41Å; D52-Y54 HydrophobicContact CB-CE2 4Å; D52-Y54 WeakPolarHBondContact O-CD2 3.39Å; D52-Y54 WeakPolarHBondContact O-CE2 3.49Å; D52-Q61 WeakPolarHBondContact OD1-CG 3.15Å; D52-Q61 PolarHBondContact OD1-NE2 2.89Å
53D76.5Confident82.6Confident20 Ų2067.9 Ų67.911%0.10736%0.363CS..  trans-88.5107.1171.5-170.4-11.7000109.9T55 H60 N62 W131D53-T55 VanDerWaalsContact C-N 3.29Å; D53-T55 WeakPolarHBondContact OD1-CB 3.22Å; D53-T55 PolarHBondContact OD1-N 2.99Å; D53-T55 PolarHBondContact OD1-OG1 3.15Å; D53-T55 PolarHBondContact OD2-OG1 2.67Å; D53-H60 PolarHBondContact N-O 3.27Å; D53-N62 PolarHBondContact OD2-ND2 2.83Å; D53-W131 HydrophobicContact CB-CZ2 4.23Å
54Y75.1Confident82.6Confident199 Ų19968 Ų6878%0.7836%0.362SS*.THydrogen-bonded Turntrans-82.6-4.8179.4-61.6-80.6000113.6D52D52-Y54 HydrophobicContact CB-CE1 4.41Å; D52-Y54 HydrophobicContact CB-CE2 4Å; D52-Y54 WeakPolarHBondContact O-CD2 3.39Å; D52-Y54 WeakPolarHBondContact O-CE2 3.49Å
55T73.9Confident82.6Confident117 Ų11765.1 Ų65.172%0.71833%0.333SS*.THydrogen-bonded Turntrans-81.5-22179.770.20000112.3D53D53-T55 VanDerWaalsContact C-N 3.29Å; D53-T55 WeakPolarHBondContact OD1-CB 3.22Å; D53-T55 PolarHBondContact OD1-N 2.99Å; D53-T55 PolarHBondContact OD1-OG1 3.15Å; D53-T55 PolarHBondContact OD2-OG1 2.67Å
56L69Low82.6Confident79 Ų7959.5 Ų59.541%0.41431%0.314SS..SBendtrans-95.5137.2175.5-61.6174.3000109.7S58 H60L56-S58 PolarHBondContact O-N 2.97Å; L56-S58 VanDerWaalsContact O-N 3.11Å; L56-H60 HydrophobicContact CD1-CB 4.05Å
57H61.6Low82.7Confident210 Ų21058.4 Ų58.497%0.97231%0.305SS*.SBendtrans-64.3-16.7-179.4-87.571.8000113.6
58S62.2Low82.8Confident61 Ų6158.3 Ų58.343%0.42731%0.305SS..SBendtrans-100.4135.8171.355.30000108.5L56 H60L56-S58 PolarHBondContact O-N 2.97Å; L56-S58 VanDerWaalsContact O-N 3.11Å; S58-H60 PolarHBondContact O-N 2.81Å; S58-H60 PolarHBondContact OG-ND1 2.9Å
59G68.5Low82.9Confident74 Ų7458.3 Ų58.376%0.76331%0.305SS*.  trans-63.262.1174.900000113.6
60H77.3Confident83.1Confident100 Ų10059.8 Ų59.846%0.46331%0.313SS..  trans-66.6136.3170.8-98.372.2000107.7D53 L56 S58D53-H60 PolarHBondContact N-O 3.27Å; L56-H60 HydrophobicContact CD1-CB 4.05Å; S58-H60 PolarHBondContact O-N 2.81Å; S58-H60 PolarHBondContact OG-ND1 2.9Å
61Q83.4Confident83.5Confident66 Ų6653.9 Ų53.931%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-107.3134.3174.3-64.8-169.2-32.200108.1A51 D52 Y135A51-Q61 CarbonylContact O-C 3.52Å; A51-Q61 WeakPolarHBondContact O-CA 3.46Å; D52-Q61 WeakPolarHBondContact OD1-CG 3.15Å; D52-Q61 PolarHBondContact OD1-NE2 2.89Å; Q61-Y135 HydrophobicContact CB-CE1 4.41Å; Q61-Y135 WeakPolarHBondContact O-CE1 3.29Å; Q61-Y135 PolarHBondContact O-OH 3.43Å
62N89.2Confident83.9Confident1 Ų155.7 Ų55.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-115.2151.2179.1-75.5-15.5000109.3A51 D53 L64 W131 D132 G134A51-N62 PolarHBondContact N-O 3.2Å; A51-N62 PolarHBondContact O-N 2.95Å; D53-N62 PolarHBondContact OD2-ND2 2.83Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-W131 HydrophobicContact CB-CH2 4.38Å; N62-W131 HydrophobicContact CB-CZ2 3.66Å; N62-W131 WeakPolarHBondContact ND2-CZ2 3.44Å; N62-W131 PolarHBondContact ND2-NE1 2.91Å; N62-D132 VanDerWaalsContact CB-O 3.29Å; N62-D132 WeakPolarHBondContact CB-O 3.46Å; N62-G134 PolarHBondContact OD1-N 3.15Å
63D91.6Very high84.5Confident0 Ų052.7 Ų52.70%029%0.287CS..EExtended strand (participates in β ladder)trans-70.9127.8174.1-81.7-2.1000110.3V48 D132 G134 Y135 L137 I138 Y175V48-D63 HydrophobicContact CG1-CB 4Å; D63-D132 HydrophobicContact CB-CB 4.39Å; D63-D132 PolarHBondContact O-N 2.82Å; D63-D132 VanDerWaalsContact O-N 3.16Å; D63-G134 PolarHBondContact N-O 3.15Å; D63-Y135 WeakPolarHBondContact OD1-CD1 3.36Å; D63-Y135 WeakPolarHBondContact OD2-CA 3.36Å; D63-L137 HydrophobicContact CB-CB 3.88Å; D63-L137 HydrophobicContact CB-CD1 3.95Å; D63-L137 HydrophobicContact CB-CG 3.96Å; D63-L137 PolarHBondContact OD2-N 2.95Å; D63-L137 VanDerWaalsContact OD2-N 3.09Å; D63-I138 PolarHBondContact OD2-N 3.19Å; D63-Y175 WeakPolarHBondContact OD1-CE1 3.43Å; D63-Y175 VanDerWaalsContact OD1-CZ 3.27Å; D63-Y175 PolarHBondContact OD1-OH 3.32Å
64L92.3Very high85.4Confident22 Ų2254.5 Ų54.512%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-113.9101.2174.7-170.377.1000109.3D49 A51 N62 Y129 W131D49-L64 PolarHBondContact N-O 2.8Å; D49-L64 PolarHBondContact O-N 2.94Å; A51-L64 HydrophobicContact CB-CB 3.86Å; A51-L64 HydrophobicContact CB-CD1 4.46Å; A51-L64 HydrophobicContact CB-CD2 4.19Å; A51-L64 HydrophobicContact CB-CG 4.41Å; N62-L64 PolarHBondContact O-N 2.91Å; L64-Y129 HydrophobicContact CD1-CD1 4.11Å; L64-Y129 HydrophobicContact CD1-CG 3.79Å; L64-Y129 HydrophobicContact CD2-CD1 4.03Å; L64-Y129 HydrophobicContact CD2-CE1 4.39Å; L64-Y129 HydrophobicContact CD2-CG 4.41Å; L64-Y129 HydrophobicContact CG-CD1 4.11Å; L64-Y129 HydrophobicContact CG-CG 4.31Å; L64-W131 HydrophobicContact CD1-CE3 3.41Å; L64-W131 VanDerWaalsContact CD1-CE3 3.41Å; L64-W131 HydrophobicContact CD1-CZ3 3.75Å
65G92.2Very high86.3Confident0 Ų045 Ų450%026%0.264CS..EExtended strand (participates in β ladder)trans-85.1143.2173.700000112.6I47 F130I47-G65 CarbonylContact O-C 3.5Å; I47-G65 VanDerWaalsContact O-CA 3.26Å; I47-G65 WeakPolarHBondContact O-CA 3.3Å; G65-F130 PolarHBondContact N-O 2.86Å; G65-F130 WeakPolarHBondContact O-CB 3.44Å; G65-F130 PolarHBondContact O-N 3.23Å
66L92.5Very high87.2Confident28 Ų2843.6 Ų43.615%0.14725%0.252CS..EExtended strand (participates in β ladder)trans-127.5125.5167-170.572.8000109.1I47 T125 Y129 I178I47-L66 PolarHBondContact N-O 3.38Å; I47-L66 PolarHBondContact O-N 2.85Å; L66-T125 HydrophobicContact CD1-CG2 3.51Å; L66-T125 HydrophobicContact CD2-CG2 4.2Å; L66-T125 HydrophobicContact CG-CG2 3.97Å; L66-Y129 HydrophobicContact CD1-CD1 4.05Å; L66-Y129 HydrophobicContact CD1-CE1 4.05Å; L66-I178 HydrophobicContact CB-CD1 3.96Å; L66-I178 HydrophobicContact CD2-CG2 4.42Å
67I94.1Very high88.4Confident0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-122148.1179.467.8167.3000112R45 A46 I69 L106 S126 L145 F169 F171R45-I67 CarbonylContact O-C 3.51Å; R45-I67 VanDerWaalsContact O-CA 3.3Å; R45-I67 WeakPolarHBondContact O-CA 3.37Å; A46-I67 HydrophobicContact CB-CG2 3.96Å; I67-I69 HydrophobicContact CD1-CD1 3.46Å; I67-I69 VanDerWaalsContact CD1-CD1 3.46Å; I67-I69 HydrophobicContact CD1-CG1 3.66Å; I67-I69 HydrophobicContact CG1-CD1 3.75Å; I67-I69 HydrophobicContact CG1-CG1 3.79Å; I67-L106 HydrophobicContact CD1-CD1 3.33Å; I67-L106 HydrophobicContact CG1-CD1 4Å; I67-S126 PolarHBondContact O-N 2.71Å; I67-L145 HydrophobicContact CD1-CD1 4.02Å; I67-L145 HydrophobicContact CD1-CD2 4.1Å; I67-F169 HydrophobicContact CD1-CE1 4.45Å; I67-F169 HydrophobicContact CD1-CZ 4.23Å; I67-F169 HydrophobicContact CG2-CE2 4.02Å; I67-F169 HydrophobicContact CG2-CZ 3.89Å; I67-F171 HydrophobicContact CG2-CE1 3.7Å; I67-F171 HydrophobicContact CG2-CZ 3.68Å
68T95.1Very high89.9Confident19 Ų1934.6 Ų34.612%0.11721%0.208CC..EExtended strand (participates in β ladder)trans-110.3123.9173.5-58.20000108.7V43 G44 R45 K123 M124V43-T68 CarbonylContact C-O 3.59Å; V43-T68 WeakPolarHBondContact CA-O 3.29Å; G44-T68 PolarHBondContact N-O 2.87Å; R45-T68 PolarHBondContact O-N 3.3Å; T68-K123 VanDerWaalsContact CG2-CA 3.48Å; T68-K123 HydrophobicContact CG2-CB 3.89Å; T68-K123 HydrophobicContact CG2-CG 4.42Å; T68-M124 CarbonylContact C-O 3.49Å; T68-M124 WeakPolarHBondContact CA-O 3.27Å
69I95.8Very high91.4Very high0 Ų033.5 Ų33.50%020%0.196CC..EExtended strand (participates in β ladder)trans-123.7134.6-165.4-49.7170.9000109.2I41 N42 I67 L90 M124I41-I69 HydrophobicContact CG2-CG2 4.1Å; N42-I69 CarbonylContact O-C 3.57Å; N42-I69 WeakPolarHBondContact O-CA 3.24Å; I67-I69 HydrophobicContact CD1-CD1 3.46Å; I67-I69 VanDerWaalsContact CD1-CD1 3.46Å; I67-I69 HydrophobicContact CD1-CG1 3.66Å; I67-I69 HydrophobicContact CG1-CD1 3.75Å; I67-I69 HydrophobicContact CG1-CG1 3.79Å; I69-L90 HydrophobicContact CD1-CD2 3.31Å; I69-L90 HydrophobicContact CG1-CD2 4.48Å; I69-L90 HydrophobicContact CG2-CD2 4.1Å; I69-M124 PolarHBondContact N-O 2.89Å; I69-M124 WeakPolarHBondContact O-CB 3.46Å; I69-M124 PolarHBondContact O-N 3.12Å
70D96.5Very high92.6Very high48 Ų4831.4 Ų31.426%0.25717%0.167SC..EExtended strand (participates in β ladder)trans-99.8125.7162-63.6-27.5000107.5I41 N42 Y121 K122 K123I41-D70 WeakPolarHBondContact CA-O 3.46Å; N42-D70 HydrophobicContact CB-CB 4.19Å; N42-D70 PolarHBondContact N-O 2.86Å; N42-D70 PolarHBondContact O-N 3.02Å; D70-Y121 CarbonylContact C-O 3.52Å; D70-Y121 WeakPolarHBondContact CA-O 3.2Å; D70-K122 VanDerWaalsContact OD1-CA 3.25Å; D70-K122 WeakPolarHBondContact OD1-CA 3.22Å; D70-K123 PolarHBondContact OD1-N 2.93Å
71L96.5Very high93.3Very high1 Ų133.5 Ų33.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-131.7120.7-177.8177.365.4000109.6V39 I41 W107 L119 Y121 L147V39-L71 HydrophobicContact CG1-CD1 3.66Å; I41-L71 HydrophobicContact CD1-CD1 4.48Å; I41-L71 HydrophobicContact CG1-CD1 3.86Å; L71-W107 HydrophobicContact CD2-CH2 4.46Å; L71-W107 HydrophobicContact CD2-CZ3 4.19Å; L71-L119 HydrophobicContact CD2-CD1 3.95Å; L71-L119 HydrophobicContact CG-CD1 4.47Å; L71-Y121 HydrophobicContact CD2-CD2 4.41Å; L71-Y121 PolarHBondContact N-O 3.03Å; L71-Y121 PolarHBondContact O-N 2.98Å; L71-L147 HydrophobicContact CD1-CD2 4.32Å; L71-L147 HydrophobicContact CD2-CD1 4.25Å
72S96.2Very high93.8Very high56 Ų5630.8 Ų30.839%0.39216%0.158SC..EExtended strand (participates in β ladder)trans-128.8124.3176.8-172.60000110.7D40 L119D40-S72 PolarHBondContact N-O 2.77Å; D40-S72 PolarHBondContact O-N 2.88Å; S72-L119 CarbonylContact C-O 3.58Å; S72-L119 VanDerWaalsContact CA-O 3.27Å; S72-L119 WeakPolarHBondContact CA-O 3.45Å
73S95.7Very high94.1Very high5 Ų530.9 Ų30.94%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-161.7136.6174.5-173.10000111.6S38 L75 L119S38-S73 PolarHBondContact O-OG 3.44Å; S73-L75 WeakPolarHBondContact OG-CD2 3.41Å; S73-L119 PolarHBondContact N-O 2.98Å; S73-L119 PolarHBondContact O-N 2.98Å
74S94.7Very high94.3Very high58 Ų5836.3 Ų36.341%0.40618%0.183SC..EExtended strand (participates in β ladder)trans-91.8123.4167.752.10000109.6H77S74-H77 PolarHBondContact O-CE1 2.8Å
75L94.8Very high94.5Very high0 Ų037.1 Ų37.10%019%0.186CC..  trans-1201.7-176.2-54.8170.7000112.3A37 S73 H77 L78 L88 I111 A117 L119 W149A37-L75 HydrophobicContact CB-CD2 3.66Å; S73-L75 WeakPolarHBondContact OG-CD2 3.41Å; L75-H77 PolarHBondContact O-N 2.76Å; L75-L78 HydrophobicContact CB-CD1 3.99Å; L75-L78 HydrophobicContact CB-CG 4.39Å; L75-L78 HydrophobicContact CD2-CD1 3.64Å; L75-L78 HydrophobicContact CG-CD1 4.38Å; L75-L78 VanDerWaalsContact O-CB 3.26Å; L75-L78 WeakPolarHBondContact O-CB 3.45Å; L75-L78 WeakPolarHBondContact O-CG 2.95Å; L75-L78 PolarHBondContact O-N 2.83Å; L75-L88 HydrophobicContact CD1-CD1 3.83Å; L75-L88 HydrophobicContact CD1-CD2 3.4Å; L75-L88 VanDerWaalsContact CD1-CD2 3.4Å; L75-L88 HydrophobicContact CD1-CG 4.24Å; L75-L88 HydrophobicContact CD2-CD2 4.46Å; L75-I111 HydrophobicContact CD1-CD1 4.04Å; L75-A117 WeakPolarHBondContact CA-O 3.5Å; L75-A117 HydrophobicContact CB-CB 4.14Å; L75-A117 VanDerWaalsContact CB-O 3.27Å; L75-A117 WeakPolarHBondContact CB-O 3.48Å; L75-A117 PolarHBondContact N-O 2.9Å; L75-L119 HydrophobicContact CD1-CD1 3.72Å; L75-L119 HydrophobicContact CD1-CD2 4.42Å; L75-L119 HydrophobicContact CD1-CG 3.79Å; L75-W149 HydrophobicContact CD2-CZ3 4.41Å
76D92.9Very high94.7Very high87 Ų8737.1 Ų37.147%0.46519%0.186SC..G310 helixtrans-56.9-37.8-176.1-68.4-44.8000112L78 F79 A117D76-L78 PolarHBondContact O-N 2.8Å; D76-F79 PolarHBondContact O-N 2.9Å; D76-A117 PolarHBondContact N-O 3.33Å; D76-A117 WeakPolarHBondContact OD1-CA 3.4Å; D76-A117 WeakPolarHBondContact OD1-CB 3.42Å; D76-A117 PolarHBondContact OD1-N 3.18Å
77H92.7Very high94.9Very high97 Ų9738.6 Ų38.645%0.44919%0.191SC..G310 helixtrans-71-12.1179.264.9-75.5000114.1S36 S74 L75 F79S36-H77 PolarHBondContact O-NE2 3.22Å; S74-H77 PolarHBondContact O-CE1 2.8Å; L75-H77 PolarHBondContact O-N 2.76Å; H77-F79 VanDerWaalsContact C-N 3.26Å
78L94.2Very high95Very high3 Ų338.6 Ų38.62%0.01619%0.191CC..G310 helixtrans-73-21.9174.1-56.8-176000111.8P35 A37 L75 D76 N80 L86 W149P35-L78 HydrophobicContact CB-CD2 3.78Å; P35-L78 HydrophobicContact CG-CB 4.43Å; P35-L78 HydrophobicContact CG-CD2 3.74Å; P35-L78 WeakPolarHBondContact O-CD2 3.29Å; A37-L78 HydrophobicContact CB-CD1 4.25Å; A37-L78 HydrophobicContact CB-CD2 4.21Å; A37-L78 HydrophobicContact CB-CG 4.41Å; L75-L78 HydrophobicContact CB-CD1 3.99Å; L75-L78 HydrophobicContact CB-CG 4.39Å; L75-L78 HydrophobicContact CD2-CD1 3.64Å; L75-L78 HydrophobicContact CG-CD1 4.38Å; L75-L78 VanDerWaalsContact O-CB 3.26Å; L75-L78 WeakPolarHBondContact O-CB 3.45Å; L75-L78 WeakPolarHBondContact O-CG 2.95Å; L75-L78 PolarHBondContact O-N 2.83Å; D76-L78 PolarHBondContact O-N 2.8Å; L78-N80 PolarHBondContact O-N 2.96Å; L78-L86 HydrophobicContact CB-CD1 3.9Å; L78-L86 HydrophobicContact CD1-CD1 3.89Å; L78-W149 HydrophobicContact CD1-CD2 4.09Å; L78-W149 HydrophobicContact CD1-CH2 4.24Å; L78-W149 HydrophobicContact CD1-CZ2 3.65Å; L78-W149 HydrophobicContact CD2-CZ2 4.09Å
79F94.2Very high95.2Very high38 Ų3839.7 Ų39.717%0.16719%0.194CC..  trans-84.596.2179-70.1-90.8000111.6D76 H77 V83 L86 I111 R113 A117D76-F79 PolarHBondContact O-N 2.9Å; H77-F79 VanDerWaalsContact C-N 3.26Å; F79-V83 HydrophobicContact CD1-CB 4.15Å; F79-V83 HydrophobicContact CD1-CG1 3.65Å; F79-V83 HydrophobicContact CE1-CG1 3.89Å; F79-V83 HydrophobicContact CG-CG1 4.44Å; F79-L86 HydrophobicContact CD2-CD1 4.11Å; F79-L86 HydrophobicContact CE1-CD1 4.47Å; F79-L86 HydrophobicContact CE1-CG 4.06Å; F79-L86 HydrophobicContact CE2-CD1 3.4Å; F79-L86 VanDerWaalsContact CE2-CD1 3.4Å; F79-L86 HydrophobicContact CE2-CG 3.89Å; F79-L86 HydrophobicContact CZ-CB 4.23Å; F79-L86 HydrophobicContact CZ-CD1 3.63Å; F79-L86 HydrophobicContact CZ-CG 3.55Å; F79-I111 HydrophobicContact CE2-CG2 3.94Å; F79-I111 HydrophobicContact CZ-CB 4.13Å; F79-I111 HydrophobicContact CZ-CG2 3.64Å; F79-R113 HydrophobicContact CD1-CB 4.21Å; F79-R113 HydrophobicContact CE1-CB 4.37Å; F79-A117 HydrophobicContact CD2-CB 4.03Å; F79-A117 HydrophobicContact CE2-CB 3.51Å
80N92.2Very high95.2Very high31 Ų3139.7 Ų39.717%0.16619%0.194CC..  trans-77.6-153.9167.96244.8000111.4L78 N82 V83 R113L78-N80 PolarHBondContact O-N 2.96Å; N80-N82 WeakPolarHBondContact OD1-CA 3.43Å; N80-N82 PolarHBondContact OD1-N 3.37Å; N80-V83 WeakPolarHBondContact OD1-CG2 3.43Å; N80-V83 PolarHBondContact OD1-N 3.08Å; N80-R113 PolarHBondContact O-NH1 3.01Å; N80-R113 PolarHBondContact O-NH2 2.89Å
81W91.9Very high95.2Very high144 Ų14437.4 Ų37.455%0.54518%0.182SC..SBendtrans-85.9-17.1175.254.990.1000114.6S29 T30 I33 R113S29-W81 PolarHBondContact OG-NE1 2.64Å; S29-W81 VanDerWaalsContact OG-NE1 3.15Å; T30-W81 HydrophobicContact CG2-CZ2 3.77Å; I33-W81 HydrophobicContact CD1-CH2 3.5Å; I33-W81 HydrophobicContact CD1-CZ2 3.94Å; I33-W81 HydrophobicContact CD1-CZ3 4.23Å; W81-R113 PolarHBondContact O-NH2 3.43Å
82N94.6Very high95.3Very high8 Ų837.4 Ų37.44%0.04318%0.181CC..SBendtrans-98.2-23.5-178.4-167.322.4000113.5T30 N80 K84 P153 N154 I155T30-N82 HydrophobicContact CG2-CB 3.53Å; T30-N82 PolarHBondContact OG1-ND2 3.34Å; N80-N82 WeakPolarHBondContact OD1-CA 3.43Å; N80-N82 PolarHBondContact OD1-N 3.37Å; N82-K84 PolarHBondContact O-N 3.03Å; N82-P153 CarbonylContact O-C 3.47Å; N82-P153 WeakPolarHBondContact O-CA 3.49Å; N82-N154 PolarHBondContact O-N 2.91Å; N82-N154 PolarHBondContact O-ND2 3.48Å; N82-N154 VanDerWaalsContact O-ND2 3.12Å; N82-N154 PolarHBondContact OD1-N 3.48Å; N82-I155 PolarHBondContact ND2-O 3.26Å; N82-I155 PolarHBondContact OD1-N 2.98Å
83V95.2Very high95.3Very high3 Ų337.8 Ų37.82%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-63.9116.4-179.8179.50000112.8F79 N80 L86 R113 T151F79-V83 HydrophobicContact CD1-CB 4.15Å; F79-V83 HydrophobicContact CD1-CG1 3.65Å; F79-V83 HydrophobicContact CE1-CG1 3.89Å; F79-V83 HydrophobicContact CG-CG1 4.44Å; N80-V83 WeakPolarHBondContact OD1-CG2 3.43Å; N80-V83 PolarHBondContact OD1-N 3.08Å; V83-L86 HydrophobicContact CG1-CD2 3.92Å; V83-L86 HydrophobicContact CG1-CG 4.39Å; V83-R113 PolarHBondContact O-NE 3.1Å; V83-R113 PolarHBondContact O-NH2 2.93Å; V83-T151 HydrophobicContact CB-CG2 4.32Å; V83-T151 HydrophobicContact CG1-CG2 3.91Å; V83-T151 HydrophobicContact CG2-CG2 3.48Å; V83-T151 VanDerWaalsContact CG2-CG2 3.48Å
84K95.3Very high95.3Very high115 Ų11537.9 Ų37.950%0.518%0.176SC..EExtended strand (participates in β ladder)trans-79.8-47.8176.6-176.3177.3175.8179.10111.6N82 R113 I152 N154N82-K84 PolarHBondContact O-N 3.03Å; K84-R113 WeakPolarHBondContact O-CB 3.28Å; K84-R113 PolarHBondContact O-N 2.75Å; K84-I152 WeakPolarHBondContact CB-O 3.3Å; K84-I152 PolarHBondContact N-O 3.18Å; K84-N154 WeakPolarHBondContact CB-OD1 3.37Å
85Q96.5Very high95.3Very high38 Ų3842.2 Ų42.218%0.17819%0.188CC..EExtended strand (participates in β ladder)trans-157.3156.6-177.264.4-177.532.700110.6I110 I111 R112 I152Q85-I110 HydrophobicContact CB-CG2 4.33Å; Q85-I111 CarbonylContact C-O 3.51Å; Q85-I111 VanDerWaalsContact CA-O 3.22Å; Q85-I111 WeakPolarHBondContact CA-O 3.33Å; Q85-I111 WeakPolarHBondContact CB-O 3.48Å; Q85-R112 HydrophobicContact CB-CG 4.33Å; Q85-I152 HydrophobicContact CG-CB 3.82Å; Q85-I152 HydrophobicContact CG-CD1 3.83Å; Q85-I152 HydrophobicContact CG-CG1 4.35Å; Q85-I152 HydrophobicContact CG-CG2 4.17Å; Q85-I152 PolarHBondContact N-O 2.94Å; Q85-I152 VanDerWaalsContact NE2-CD1 3.26Å; Q85-I152 WeakPolarHBondContact O-CB 3.47Å; Q85-I152 PolarHBondContact O-N 3.13Å
86L96.8Very high95.1Very high0 Ų043.4 Ų43.40%020%0.197CC..EExtended strand (participates in β ladder)trans-107.9133.7168.6-60177.8000108.5L78 F79 V83 L88 I110 I111 T151L78-L86 HydrophobicContact CB-CD1 3.9Å; L78-L86 HydrophobicContact CD1-CD1 3.89Å; F79-L86 HydrophobicContact CD2-CD1 4.11Å; F79-L86 HydrophobicContact CE1-CD1 4.47Å; F79-L86 HydrophobicContact CE1-CG 4.06Å; F79-L86 HydrophobicContact CE2-CD1 3.4Å; F79-L86 VanDerWaalsContact CE2-CD1 3.4Å; F79-L86 HydrophobicContact CE2-CG 3.89Å; F79-L86 HydrophobicContact CZ-CB 4.23Å; F79-L86 HydrophobicContact CZ-CD1 3.63Å; F79-L86 HydrophobicContact CZ-CG 3.55Å; V83-L86 HydrophobicContact CG1-CD2 3.92Å; V83-L86 HydrophobicContact CG1-CG 4.39Å; L86-L88 HydrophobicContact CB-CD1 4.35Å; L86-I110 WeakPolarHBondContact O-CA 3.49Å; L86-I111 PolarHBondContact N-O 2.64Å; L86-I111 PolarHBondContact O-N 2.93Å; L86-T151 HydrophobicContact CD2-CG2 3.92Å
87F97.2Very high95Very high60 Ų6044.7 Ų44.726%0.26321%0.212SC..EExtended strand (participates in β ladder)trans-103.1105.4166.9175.2-97.2000108Y89 D108 I110 W149 N150F87-Y89 AromaticContact CD1-CD1 3.79Å; F87-Y89 HydrophobicContact CD1-CD1 3.79Å; F87-Y89 HydrophobicContact CD1-CE1 4.35Å; F87-Y89 AromaticContact CE1-CD1 3.65Å; F87-Y89 HydrophobicContact CE1-CD1 3.65Å; F87-Y89 HydrophobicContact CE1-CE1 4.42Å; F87-Y89 HydrophobicContact CE1-CG 4.3Å; F87-D108 HydrophobicContact CE2-CB 4.26Å; F87-D108 HydrophobicContact CZ-CB 4.1Å; F87-I110 HydrophobicContact CD2-CD1 4.3Å; F87-I110 HydrophobicContact CD2-CG1 3.7Å; F87-I110 HydrophobicContact CE2-CG1 4.4Å; F87-W149 CarbonylContact O-C 3.6Å; F87-W149 WeakPolarHBondContact O-CA 3.16Å; F87-W149 WeakPolarHBondContact O-CB 3.5Å; F87-N150 HydrophobicContact CB-CB 4.29Å; F87-N150 PolarHBondContact N-O 3.06Å; F87-N150 PolarHBondContact O-N 3.04Å
88L97.1Very high94.8Very high0 Ų046.4 Ų46.40%023%0.225CC..EExtended strand (participates in β ladder)trans-95.1144-179.3-65.9129.7000110L75 L86 W107 D108 K109 I111 L119 L147 S148 W149L75-L88 HydrophobicContact CD1-CD1 3.83Å; L75-L88 HydrophobicContact CD1-CD2 3.4Å; L75-L88 VanDerWaalsContact CD1-CD2 3.4Å; L75-L88 HydrophobicContact CD1-CG 4.24Å; L75-L88 HydrophobicContact CD2-CD2 4.46Å; L86-L88 HydrophobicContact CB-CD1 4.35Å; L88-W107 HydrophobicContact CB-CZ3 4.34Å; L88-D108 CarbonylContact O-C 3.59Å; L88-D108 WeakPolarHBondContact O-CA 3.23Å; L88-K109 WeakPolarHBondContact CB-O 3.48Å; L88-K109 PolarHBondContact N-O 2.78Å; L88-K109 PolarHBondContact O-N 3.18Å; L88-I111 HydrophobicContact CD1-CB 4.26Å; L88-I111 HydrophobicContact CD1-CD1 3.33Å; L88-I111 HydrophobicContact CD1-CG1 3.54Å; L88-L119 HydrophobicContact CD2-CD1 4.47Å; L88-L147 HydrophobicContact CD2-CD1 4.41Å; L88-L147 HydrophobicContact CD2-CD2 4.2Å; L88-L147 HydrophobicContact CD2-CG 4.4Å; L88-S148 WeakPolarHBondContact CA-O 3.4Å; L88-W149 HydrophobicContact CD2-CB 3.84Å; L88-W149 HydrophobicContact CD2-CD2 4.48Å; L88-W149 HydrophobicContact CD2-CE3 4.13Å; L88-W149 HydrophobicContact CD2-CG 4.4Å; L88-W149 HydrophobicContact CG-CB 4Å
89Y97.3Very high94.7Very high42 Ų4250 Ų5017%0.16524%0.244CC..EExtended strand (participates in β ladder)trans-146.8140.5172.256.4-82.6000110.5F87 V105 W107 S148 N150F87-Y89 AromaticContact CD1-CD1 3.79Å; F87-Y89 HydrophobicContact CD1-CD1 3.79Å; F87-Y89 HydrophobicContact CD1-CE1 4.35Å; F87-Y89 AromaticContact CE1-CD1 3.65Å; F87-Y89 HydrophobicContact CE1-CD1 3.65Å; F87-Y89 HydrophobicContact CE1-CE1 4.42Å; F87-Y89 HydrophobicContact CE1-CG 4.3Å; Y89-V105 HydrophobicContact CD2-CG2 4.19Å; Y89-W107 CarbonylContact C-O 3.6Å; Y89-W107 VanDerWaalsContact CA-O 3.24Å; Y89-W107 WeakPolarHBondContact CA-O 3.29Å; Y89-S148 PolarHBondContact N-O 3.2Å; Y89-S148 PolarHBondContact O-N 3.43Å; Y89-S148 VanDerWaalsContact O-O 3.08Å; Y89-N150 WeakPolarHBondContact CE1-OD1 3.4Å
90L97Very high94.6Very high0 Ų057.5 Ų57.50%028%0.277CS..EExtended strand (participates in β ladder)trans-97.9116.1173.3-175.173.8000107.8I41 I69 L106 W107 L145 L147I41-L90 HydrophobicContact CD1-CD1 3.94Å; I69-L90 HydrophobicContact CD1-CD2 3.31Å; I69-L90 HydrophobicContact CG1-CD2 4.48Å; I69-L90 HydrophobicContact CG2-CD2 4.1Å; L90-L106 PolarHBondContact O-N 2.91Å; L90-W107 HydrophobicContact CB-CB 4.18Å; L90-W107 HydrophobicContact CB-CE3 4.29Å; L90-W107 PolarHBondContact N-O 2.99Å; L90-L145 HydrophobicContact CD1-CB 4.47Å; L90-L147 HydrophobicContact CB-CD1 4.48Å; L90-L147 HydrophobicContact CD1-CB 4.32Å
91S97Very high94.7Very high0 Ų061 Ų610%030%0.295CS..EExtended strand (participates in β ladder)trans-104.3145.5176.444.30000111.4V104 L145 T146S91-V104 CarbonylContact C-O 3.52Å; S91-V104 VanDerWaalsContact CA-O 3.29Å; S91-V104 WeakPolarHBondContact CA-O 3.39Å; S91-L145 WeakPolarHBondContact O-CA 3.26Å; S91-T146 PolarHBondContact N-O 3.5Å; S91-T146 PolarHBondContact O-N 3.26Å; S91-T146 PolarHBondContact OG-O 3.5Å; S91-T146 PolarHBondContact OG-OG1 2.87Å
92A96.9Very high94.8Very high0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-108.7129.9167.100000109.5Q103 V104 L106 F130 V143 T144 L145A92-Q103 WeakPolarHBondContact O-CA 3.35Å; A92-V104 PolarHBondContact N-O 3.26Å; A92-V104 PolarHBondContact O-N 3.37Å; A92-L106 HydrophobicContact CB-CD1 3.7Å; A92-L106 HydrophobicContact CB-CG 4.14Å; A92-F130 HydrophobicContact CB-CD2 4.32Å; A92-F130 HydrophobicContact CB-CE2 3.35Å; A92-F130 HydrophobicContact CB-CZ 3.52Å; A92-V143 HydrophobicContact CB-CG1 4.05Å; A92-T144 CarbonylContact C-O 3.53Å; A92-T144 WeakPolarHBondContact CA-O 3.45Å; A92-L145 HydrophobicContact CB-CD2 3.59Å
93E96.5Very high94.8Very high64 Ų6460 Ų6030%0.29930%0.296SS..EExtended strand (participates in β ladder)trans-113.2132.4175.1-70.1179.2-164.300110L101 N102 Q103 V143 T144E93-L101 HydrophobicContact CB-CD1 4.13Å; E93-L101 HydrophobicContact CG-CD1 4.24Å; E93-N102 VanDerWaalsContact CA-O 3.29Å; E93-N102 WeakPolarHBondContact CA-O 3.47Å; E93-Q103 HydrophobicContact CG-CB 4.25Å; E93-Q103 HydrophobicContact CG-CG 3.89Å; E93-Q103 PolarHBondContact OE1-NE2 2.92Å; E93-V143 CarbonylContact O-C 3.6Å; E93-V143 WeakPolarHBondContact O-CA 3.37Å; E93-T144 PolarHBondContact N-O 2.81Å; E93-T144 PolarHBondContact O-N 3.37Å
94Y95.7Very high94.8Very high7 Ų761.4 Ų61.43%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-153.1171.1-178.165-72.8000110.4N102 V104 F130 D132 L137Y94-N102 HydrophobicContact CD1-CB 3.73Å; Y94-N102 HydrophobicContact CD2-CB 4.05Å; Y94-N102 HydrophobicContact CE1-CB 3.28Å; Y94-N102 HydrophobicContact CE2-CB 3.67Å; Y94-N102 VanDerWaalsContact CE2-ND2 3.33Å; Y94-N102 WeakPolarHBondContact CE2-ND2 3.25Å; Y94-N102 HydrophobicContact CG-CB 4.09Å; Y94-N102 PolarHBondContact N-O 3.27Å; Y94-N102 PolarHBondContact O-N 2.84Å; Y94-V104 HydrophobicContact CE1-CG2 4.04Å; Y94-F130 AromaticContact CD1-CE1 3.8Å; Y94-F130 HydrophobicContact CD1-CE1 3.8Å; Y94-F130 AromaticContact CD1-CZ 3.59Å; Y94-F130 HydrophobicContact CD1-CZ 3.59Å; Y94-F130 AromaticContact CE1-CE1 3.28Å; Y94-F130 HydrophobicContact CE1-CE1 3.28Å; Y94-F130 AromaticContact CE1-CZ 3.59Å; Y94-F130 HydrophobicContact CE1-CZ 3.59Å; Y94-F130 HydrophobicContact CG-CZ 4.35Å; Y94-F130 AromaticContact CZ-CE1 3.69Å; Y94-D132 HydrophobicContact CE2-CB 4.44Å; Y94-D132 WeakPolarHBondContact OH-CB 3.32Å; Y94-D132 PolarHBondContact OH-OD1 3.47Å; Y94-L137 HydrophobicContact CD2-CD2 3.94Å; Y94-L137 HydrophobicContact CE1-CD2 4.38Å; Y94-L137 HydrophobicContact CE2-CD2 3.56Å; Y94-L137 HydrophobicContact CG-CD2 4.48Å
95K94.8Very high94.9Very high150 Ų15058.8 Ų58.865%0.65230%0.298SS*.  trans-117.9142.2176.8-56.2-169.6175.61710109.7K100 N140K95-K100 WeakPolarHBondContact CE-O 3.47Å; K95-K100 WeakPolarHBondContact CG-O 3.38Å; K95-N140 PolarHBondContact O-ND2 2.73Å
96S92Very high94.8Very high25 Ų2557 Ų5718%0.17529%0.29CS..  trans-119.2176.217067.20000110.3D98 N99 N102S96-D98 PolarHBondContact O-N 2.85Å; S96-N99 PolarHBondContact N-O 3.46Å; S96-N99 VanDerWaalsContact N-O 3.07Å; S96-N99 VanDerWaalsContact O-O 3.13Å; S96-N99 PolarHBondContact OG-N 3.27Å; S96-N102 WeakPolarHBondContact CB-ND2 3.42Å; S96-N102 PolarHBondContact OG-ND2 3.4Å
97S89.3Confident94.8Very high114 Ų11457.9 Ų57.980%0.79729%0.293SS*.SBendtrans-54.8-41.5173.338.20000112.4
98D88.8Confident94.8Very high132 Ų13256.5 Ų56.571%0.70629%0.289SS*.SBendtrans-92.5-25.5-170.7-56-69.7000112.4S96S96-D98 PolarHBondContact O-N 2.85Å
99N91.7Very high94.8Very high79 Ų7959.2 Ų59.242%0.42230%0.301SS..  trans-125.5126.8-174.6-67.5-52000112.8S96 L101 N102S96-N99 PolarHBondContact N-O 3.46Å; S96-N99 VanDerWaalsContact N-O 3.07Å; S96-N99 VanDerWaalsContact O-O 3.13Å; S96-N99 PolarHBondContact OG-N 3.27Å; N99-L101 PolarHBondContact O-N 3.44Å; N99-N102 WeakPolarHBondContact CB-OD1 3.43Å; N99-N102 PolarHBondContact ND2-OD1 2.93Å
100K92.7Very high94.7Very high196 Ų19661.4 Ų61.485%0.85231%0.314SS*.SBendtrans-66.8-23.4176.4-67.1-175.1-179178.10113.7K95K95-K100 WeakPolarHBondContact CE-O 3.47Å; K95-K100 WeakPolarHBondContact CG-O 3.38Å
101L93.7Very high94.7Very high105 Ų10561.5 Ų61.555%0.5532%0.315SS..  trans-154.7116.2178.9177.666.4000108.5E93 N99E93-L101 HydrophobicContact CB-CD1 4.13Å; E93-L101 HydrophobicContact CG-CD1 4.24Å; N99-L101 PolarHBondContact O-N 3.44Å
102N94.7Very high94.7Very high20 Ų2069.6 Ų69.611%0.10735%0.345CS..EExtended strand (participates in β ladder)trans-107.2135.9166.2-64.2-42.3000108.2E93 Y94 S96 N99E93-N102 VanDerWaalsContact CA-O 3.29Å; E93-N102 WeakPolarHBondContact CA-O 3.47Å; Y94-N102 HydrophobicContact CD1-CB 3.73Å; Y94-N102 HydrophobicContact CD2-CB 4.05Å; Y94-N102 HydrophobicContact CE1-CB 3.28Å; Y94-N102 HydrophobicContact CE2-CB 3.67Å; Y94-N102 VanDerWaalsContact CE2-ND2 3.33Å; Y94-N102 WeakPolarHBondContact CE2-ND2 3.25Å; Y94-N102 HydrophobicContact CG-CB 4.09Å; Y94-N102 PolarHBondContact N-O 3.27Å; Y94-N102 PolarHBondContact O-N 2.84Å; S96-N102 WeakPolarHBondContact CB-ND2 3.42Å; S96-N102 PolarHBondContact OG-ND2 3.4Å; N99-N102 WeakPolarHBondContact CB-OD1 3.43Å; N99-N102 PolarHBondContact ND2-OD1 2.93Å
103Q94.8Very high94.5Very high109 Ų10974.6 Ų74.651%0.50936%0.364SS..EExtended strand (participates in β ladder)trans-131.4122.7177.7-171.6177.312.800110A92 E93A92-Q103 WeakPolarHBondContact O-CA 3.35Å; E93-Q103 HydrophobicContact CG-CB 4.25Å; E93-Q103 HydrophobicContact CG-CG 3.89Å; E93-Q103 PolarHBondContact OE1-NE2 2.92Å
104V95.1Very high94.3Very high33 Ų3375.6 Ų75.620%0.239%0.392CS..EExtended strand (participates in β ladder)trans-128.1137.6-177.8179.70000109.9S91 A92 Y94 L106 F130S91-V104 CarbonylContact C-O 3.52Å; S91-V104 VanDerWaalsContact CA-O 3.29Å; S91-V104 WeakPolarHBondContact CA-O 3.39Å; A92-V104 PolarHBondContact N-O 3.26Å; A92-V104 PolarHBondContact O-N 3.37Å; Y94-V104 HydrophobicContact CE1-CG2 4.04Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; V104-F130 HydrophobicContact CB-CE1 4.26Å; V104-F130 HydrophobicContact CG2-CE1 4.21Å
105V96.7Very high94.2Very high60 Ų6078 Ų7836%0.36441%0.409SS..EExtended strand (participates in β ladder)trans-88121.7174.3176.90000109.5Y89 Y128Y89-V105 HydrophobicContact CD2-CG2 4.19Å; V105-Y128 HydrophobicContact CG1-CD2 4.49Å; V105-Y128 WeakPolarHBondContact O-CD2 3.25Å
106L95.9Very high94.1Very high0 Ų077.9 Ų77.90%041%0.409CS..EExtended strand (participates in β ladder)trans-100.2-23.2-176.4-60.2-176000113.1I67 L90 A92 V104 K127 Y128 F130 L145I67-L106 HydrophobicContact CD1-CD1 3.33Å; I67-L106 HydrophobicContact CG1-CD1 4Å; L90-L106 PolarHBondContact O-N 2.91Å; A92-L106 HydrophobicContact CB-CD1 3.7Å; A92-L106 HydrophobicContact CB-CG 4.14Å; V104-L106 HydrophobicContact CG1-CD2 4.02Å; L106-K127 PolarHBondContact O-N 3.2Å; L106-Y128 PolarHBondContact O-N 3.22Å; L106-F130 HydrophobicContact CD1-CD2 3.7Å; L106-F130 HydrophobicContact CD1-CE2 3.99Å; L106-F130 HydrophobicContact CD2-CB 3.75Å; L106-F130 HydrophobicContact CD2-CD1 4.4Å; L106-F130 HydrophobicContact CD2-CD2 3.69Å; L106-F130 HydrophobicContact CD2-CE2 4.37Å; L106-F130 HydrophobicContact CD2-CG 3.7Å; L106-F130 HydrophobicContact CG-CD2 4.31Å; L106-L145 HydrophobicContact CD1-CD2 3.9Å
107W96.6Very high94.1Very high19 Ų1976.7 Ų76.77%0.07240%0.401CS..EExtended strand (participates in β ladder)trans-157.5148.4-179176.692.7000110.7L71 L88 Y89 L90 K109 L119 Y121 M124 L147L71-W107 HydrophobicContact CD2-CH2 4.46Å; L71-W107 HydrophobicContact CD2-CZ3 4.19Å; L88-W107 HydrophobicContact CB-CZ3 4.34Å; Y89-W107 CarbonylContact C-O 3.6Å; Y89-W107 VanDerWaalsContact CA-O 3.24Å; Y89-W107 WeakPolarHBondContact CA-O 3.29Å; L90-W107 HydrophobicContact CB-CB 4.18Å; L90-W107 HydrophobicContact CB-CE3 4.29Å; L90-W107 PolarHBondContact N-O 2.99Å; W107-K109 HydrophobicContact CH2-CB 3.26Å; W107-K109 HydrophobicContact CH2-CD 3.77Å; W107-K109 HydrophobicContact CH2-CG 4.16Å; W107-K109 HydrophobicContact CZ2-CB 3.45Å; W107-K109 VanDerWaalsContact CZ2-CB 3.45Å; W107-K109 HydrophobicContact CZ2-CD 3.77Å; W107-K109 HydrophobicContact CZ2-CG 4.21Å; W107-K109 HydrophobicContact CZ3-CB 3.91Å; W107-L119 HydrophobicContact CH2-CD1 4.43Å; W107-L119 HydrophobicContact CH2-CD2 4.46Å; W107-Y121 AromaticContact CH2-CE2 3.97Å; W107-Y121 HydrophobicContact CH2-CE2 3.97Å; W107-Y121 HydrophobicContact CZ2-CD2 4.35Å; W107-Y121 AromaticContact CZ2-CE2 3.6Å; W107-Y121 HydrophobicContact CZ2-CE2 3.6Å; W107-M124 HydrophobicContact CB-CE 4.24Å; W107-M124 HydrophobicContact CD2-CE 3.93Å; W107-M124 HydrophobicContact CG-CE 3.66Å; W107-M124 HydrophobicContact CG-SD 4.36Å; W107-M124 HydrophobicContact CZ2-SD 4.48Å; W107-M124 PolarHBondContact NE1-SD 2.93Å; W107-M124 VanDerWaalsContact NE1-SD 3.36Å; W107-L147 HydrophobicContact CZ3-CD1 4.32Å
108D96.9Very high94.3Very high31 Ų3175.2 Ų75.217%0.16638%0.381CS..EExtended strand (participates in β ladder)trans-143.1151.4176.471.1-68000111.7F87 L88 K127 Y128F87-D108 HydrophobicContact CE2-CB 4.26Å; F87-D108 HydrophobicContact CZ-CB 4.1Å; L88-D108 CarbonylContact O-C 3.59Å; L88-D108 WeakPolarHBondContact O-CA 3.23Å; D108-K127 WeakPolarHBondContact OD1-CD 3.42Å; D108-K127 IonicContact OD1-NZ 3.44Å; D108-K127 PolarHBondContact OD1-NZ 3.27Å; D108-K127 IonicContact OD2-NZ 3.71Å; D108-K127 PolarHBondContact OD2-NZ 2.76Å; D108-Y128 WeakPolarHBondContact OD1-CE2 3.47Å; D108-Y128 PolarHBondContact OD1-OH 3.25Å
109K96.1Very high94.6Very high57 Ų5768.9 Ų68.925%0.24835%0.348CS..EExtended strand (participates in β ladder)trans-152137.6174.8-177.3178.3-179.7-173.50111.8L88 W107 I111 L119 Y121L88-K109 WeakPolarHBondContact CB-O 3.48Å; L88-K109 PolarHBondContact N-O 2.78Å; L88-K109 PolarHBondContact O-N 3.18Å; W107-K109 HydrophobicContact CH2-CB 3.26Å; W107-K109 HydrophobicContact CH2-CD 3.77Å; W107-K109 HydrophobicContact CH2-CG 4.16Å; W107-K109 HydrophobicContact CZ2-CB 3.45Å; W107-K109 VanDerWaalsContact CZ2-CB 3.45Å; W107-K109 HydrophobicContact CZ2-CD 3.77Å; W107-K109 HydrophobicContact CZ2-CG 4.21Å; W107-K109 HydrophobicContact CZ3-CB 3.91Å; K109-I111 HydrophobicContact CD-CG1 4.28Å; K109-I111 HydrophobicContact CG-CG1 4.29Å; K109-L119 HydrophobicContact CD-CD2 4.2Å; K109-Y121 WeakPolarHBondContact CD-OH 3.48Å; K109-Y121 WeakPolarHBondContact CE-OH 3.35Å; K109-Y121 PolarHBondContact NZ-OH 3.18Å
110I96.9Very high94.7Very high88 Ų8869 Ų6945%0.45135%0.351SS..EExtended strand (participates in β ladder)trans-95.6125.4169.6-62.9167.3000109.2Q85 L86 F87 R112Q85-I110 HydrophobicContact CB-CG2 4.33Å; L86-I110 WeakPolarHBondContact O-CA 3.49Å; F87-I110 HydrophobicContact CD2-CD1 4.3Å; F87-I110 HydrophobicContact CD2-CG1 3.7Å; F87-I110 HydrophobicContact CE2-CG1 4.4Å; I110-R112 HydrophobicContact CG2-CG 4.36Å
111I96.6Very high94.9Very high2 Ų263 Ų631%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-110.6121.7171-58.3-177.4000108.2L75 F79 Q85 L86 L88 K109 S115 A117 L119L75-I111 HydrophobicContact CD1-CD1 4.04Å; F79-I111 HydrophobicContact CE2-CG2 3.94Å; F79-I111 HydrophobicContact CZ-CB 4.13Å; F79-I111 HydrophobicContact CZ-CG2 3.64Å; Q85-I111 CarbonylContact C-O 3.51Å; Q85-I111 VanDerWaalsContact CA-O 3.22Å; Q85-I111 WeakPolarHBondContact CA-O 3.33Å; Q85-I111 WeakPolarHBondContact CB-O 3.48Å; L86-I111 PolarHBondContact N-O 2.64Å; L86-I111 PolarHBondContact O-N 2.93Å; L88-I111 HydrophobicContact CD1-CB 4.26Å; L88-I111 HydrophobicContact CD1-CD1 3.33Å; L88-I111 HydrophobicContact CD1-CG1 3.54Å; K109-I111 HydrophobicContact CD-CG1 4.28Å; K109-I111 HydrophobicContact CG-CG1 4.29Å; I111-S115 WeakPolarHBondContact CG2-OG 3.26Å; I111-A117 HydrophobicContact CD1-CB 4.35Å; I111-A117 HydrophobicContact CG2-CB 3.8Å; I111-L119 HydrophobicContact CD1-CD2 3.88Å
112R96.3Very high94.9Very high171 Ų17166.3 Ų66.365%0.64533%0.333SS*.EExtended strand (participates in β ladder)trans-92.6151.4178-67.8-178.7174.6166.40.7110.4Q85 I110 G114 S115Q85-R112 HydrophobicContact CB-CG 4.33Å; I110-R112 HydrophobicContact CG2-CG 4.36Å; R112-G114 PolarHBondContact O-N 3.4Å; R112-S115 PolarHBondContact N-OG 2.95Å; R112-S115 WeakPolarHBondContact O-CB 3.36Å; R112-S115 PolarHBondContact O-N 3.34Å; R112-S115 VanDerWaalsContact O-N 3.08Å; R112-S115 PolarHBondContact O-OG 3.48Å
113R93.5Very high94.9Very high104 Ų10473.3 Ų73.339%0.39236%0.363SS..THydrogen-bonded Turntrans-51.9135.6171.4177.4-176.1-69.2-94.3-4.6110.8F79 N80 W81 V83 K84 S115F79-R113 HydrophobicContact CD1-CB 4.21Å; F79-R113 HydrophobicContact CE1-CB 4.37Å; N80-R113 PolarHBondContact O-NH1 3.01Å; N80-R113 PolarHBondContact O-NH2 2.89Å; W81-R113 PolarHBondContact O-NH2 3.43Å; V83-R113 PolarHBondContact O-NE 3.1Å; V83-R113 PolarHBondContact O-NH2 2.93Å; K84-R113 WeakPolarHBondContact O-CB 3.28Å; K84-R113 PolarHBondContact O-N 2.75Å; R113-S115 VanDerWaalsContact C-N 3.27Å; R113-S115 PolarHBondContact O-N 3.48Å
114G92.4Very high94.8Very high86 Ų8669.4 Ų69.489%0.88735%0.345SS*.THydrogen-bonded Turntrans84.9-7.2-18000000114.5R112R112-G114 PolarHBondContact O-N 3.4Å
115S93.8Very high94.7Very high56 Ų5671.4 Ų71.439%0.39236%0.357SS..SBendtrans-87157.5166.168.80000110.8I111 R112 R113 A117I111-S115 WeakPolarHBondContact CG2-OG 3.26Å; R112-S115 PolarHBondContact N-OG 2.95Å; R112-S115 WeakPolarHBondContact O-CB 3.36Å; R112-S115 PolarHBondContact O-N 3.34Å; R112-S115 VanDerWaalsContact O-N 3.08Å; R112-S115 PolarHBondContact O-OG 3.48Å; R113-S115 VanDerWaalsContact C-N 3.27Å; R113-S115 PolarHBondContact O-N 3.48Å; S115-A117 PolarHBondContact O-N 3.46Å
116K92.4Very high94.5Very high148 Ų14869 Ų6964%0.64334%0.343SS*.  trans-62.4115.2176.3-174.6175.2-176.5-170.80109.7E118K116-E118 VanDerWaalsContact C-N 3.33Å; K116-E118 WeakPolarHBondContact CE-OE2 3.4Å; K116-E118 HydrophobicContact CG-CB 4.18Å; K116-E118 IonicContact NZ-OE2 2.73Å; K116-E118 PolarHBondContact NZ-OE2 3.47Å; K116-E118 PolarHBondContact O-N 3.02Å
117A92.4Very high94.3Very high0 Ų074.4 Ų74.40%037%0.367CS..  trans-100.442-18000000112L75 D76 F79 I111 S115L75-A117 WeakPolarHBondContact CA-O 3.5Å; L75-A117 HydrophobicContact CB-CB 4.14Å; L75-A117 VanDerWaalsContact CB-O 3.27Å; L75-A117 WeakPolarHBondContact CB-O 3.48Å; L75-A117 PolarHBondContact N-O 2.9Å; D76-A117 PolarHBondContact N-O 3.33Å; D76-A117 WeakPolarHBondContact OD1-CA 3.4Å; D76-A117 WeakPolarHBondContact OD1-CB 3.42Å; D76-A117 PolarHBondContact OD1-N 3.18Å; F79-A117 HydrophobicContact CD2-CB 4.03Å; F79-A117 HydrophobicContact CE2-CB 3.51Å; I111-A117 HydrophobicContact CD1-CB 4.35Å; I111-A117 HydrophobicContact CG2-CB 3.8Å; S115-A117 PolarHBondContact O-N 3.46Å
118E93.6Very high94.2Very high83 Ų8378.4 Ų78.439%0.38838%0.382SS..EExtended strand (participates in β ladder)trans-107.6125.5169.9-159.9-171.2178.400108.3K116 V120K116-E118 VanDerWaalsContact C-N 3.33Å; K116-E118 WeakPolarHBondContact CE-OE2 3.4Å; K116-E118 HydrophobicContact CG-CB 4.18Å; K116-E118 IonicContact NZ-OE2 2.73Å; K116-E118 PolarHBondContact NZ-OE2 3.47Å; K116-E118 PolarHBondContact O-N 3.02Å; E118-V120 HydrophobicContact CG-CG2 3.91Å
119L94.1Very high93.9Very high0 Ų083.5 Ų83.50%040%0.4CS..EExtended strand (participates in β ladder)trans-95.8116.3172-57-172.7000107.8L71 S72 S73 L75 L88 W107 K109 I111 Y121 L147L71-L119 HydrophobicContact CD2-CD1 3.95Å; L71-L119 HydrophobicContact CG-CD1 4.47Å; S72-L119 CarbonylContact C-O 3.58Å; S72-L119 VanDerWaalsContact CA-O 3.27Å; S72-L119 WeakPolarHBondContact CA-O 3.45Å; S73-L119 PolarHBondContact N-O 2.98Å; S73-L119 PolarHBondContact O-N 2.98Å; L75-L119 HydrophobicContact CD1-CD1 3.72Å; L75-L119 HydrophobicContact CD1-CD2 4.42Å; L75-L119 HydrophobicContact CD1-CG 3.79Å; L88-L119 HydrophobicContact CD2-CD1 4.47Å; W107-L119 HydrophobicContact CH2-CD1 4.43Å; W107-L119 HydrophobicContact CH2-CD2 4.46Å; K109-L119 HydrophobicContact CD-CD2 4.2Å; I111-L119 HydrophobicContact CD1-CD2 3.88Å; L119-Y121 HydrophobicContact CB-CD2 4.42Å; L119-Y121 HydrophobicContact CB-CE2 4.45Å; L119-Y121 HydrophobicContact CD2-CE2 3.99Å; L119-L147 HydrophobicContact CD1-CD2 3.98Å
120V94.9Very high93.7Very high82 Ų8280.8 Ų80.850%0.49739%0.388SS..EExtended strand (participates in β ladder)trans-136.486.7172.2-173.70000107.5E118E118-V120 HydrophobicContact CG-CG2 3.91Å
121Y95.2Very high93.4Very high69 Ų6981.4 Ų81.427%0.27139%0.385SS..EExtended strand (participates in β ladder)trans-112.1130.3178.3-66.5-66.3000109.8D70 L71 W107 K109 L119 M124D70-Y121 CarbonylContact C-O 3.52Å; D70-Y121 WeakPolarHBondContact CA-O 3.2Å; L71-Y121 HydrophobicContact CD2-CD2 4.41Å; L71-Y121 PolarHBondContact N-O 3.03Å; L71-Y121 PolarHBondContact O-N 2.98Å; W107-Y121 AromaticContact CH2-CE2 3.97Å; W107-Y121 HydrophobicContact CH2-CE2 3.97Å; W107-Y121 HydrophobicContact CZ2-CD2 4.35Å; W107-Y121 AromaticContact CZ2-CE2 3.6Å; W107-Y121 HydrophobicContact CZ2-CE2 3.6Å; K109-Y121 WeakPolarHBondContact CD-OH 3.48Å; K109-Y121 WeakPolarHBondContact CE-OH 3.35Å; K109-Y121 PolarHBondContact NZ-OH 3.18Å; L119-Y121 HydrophobicContact CB-CD2 4.42Å; L119-Y121 HydrophobicContact CB-CE2 4.45Å; L119-Y121 HydrophobicContact CD2-CE2 3.99Å; Y121-M124 HydrophobicContact CD1-SD 4.06Å; Y121-M124 HydrophobicContact CD2-SD 4.15Å; Y121-M124 HydrophobicContact CG-SD 3.86Å
122K94.6Very high93.1Very high174 Ų17481.5 Ų81.576%0.75739%0.386SS*.EExtended strand (participates in β ladder)trans-124.1133174.1-65.9-172177.3-174.90109.2D70 M124D70-K122 VanDerWaalsContact OD1-CA 3.25Å; D70-K122 WeakPolarHBondContact OD1-CA 3.22Å; K122-M124 PolarHBondContact O-N 2.65Å
123K93.7Very high92.5Very high168 Ų16879.3 Ų79.373%0.7339%0.387SS*.EExtended strand (participates in β ladder)trans52.138.3-178-59-179.3178.5-178.60112.6T68 D70 T125T68-K123 VanDerWaalsContact CG2-CA 3.48Å; T68-K123 HydrophobicContact CG2-CB 3.89Å; T68-K123 HydrophobicContact CG2-CG 4.42Å; D70-K123 PolarHBondContact OD1-N 2.93Å; K123-T125 PolarHBondContact O-N 2.59Å
124M94.6Very high92.2Very high27 Ų2775.2 Ų75.213%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-73.5124.3177-179.2178.577.800109T68 I69 W107 Y121 K122T68-M124 CarbonylContact C-O 3.49Å; T68-M124 WeakPolarHBondContact CA-O 3.27Å; I69-M124 PolarHBondContact N-O 2.89Å; I69-M124 WeakPolarHBondContact O-CB 3.46Å; I69-M124 PolarHBondContact O-N 3.12Å; W107-M124 HydrophobicContact CB-CE 4.24Å; W107-M124 HydrophobicContact CD2-CE 3.93Å; W107-M124 HydrophobicContact CG-CE 3.66Å; W107-M124 HydrophobicContact CG-SD 4.36Å; W107-M124 HydrophobicContact CZ2-SD 4.48Å; W107-M124 PolarHBondContact NE1-SD 2.93Å; W107-M124 VanDerWaalsContact NE1-SD 3.36Å; Y121-M124 HydrophobicContact CD1-SD 4.06Å; Y121-M124 HydrophobicContact CD2-SD 4.15Å; Y121-M124 HydrophobicContact CG-SD 3.86Å; K122-M124 PolarHBondContact O-N 2.65Å
125T92.9Very high92Very high74 Ų7477.2 Ų77.245%0.45436%0.359SS..EExtended strand (participates in β ladder)trans-75.1143.4170.6-57.40000109.2L66 K123 K127L66-T125 HydrophobicContact CD1-CG2 3.51Å; L66-T125 HydrophobicContact CD2-CG2 4.2Å; L66-T125 HydrophobicContact CG-CG2 3.97Å; K123-T125 PolarHBondContact O-N 2.59Å; T125-K127 PolarHBondContact O-N 2.81Å
126S91.8Very high91.8Very high10 Ų1075 Ų757%0.0735%0.346CS..PPolyproline II helixtrans-54.4138.6174.561.50000110.8I67 Y128I67-S126 PolarHBondContact O-N 2.71Å; S126-Y128 VanDerWaalsContact CB-O 3.29Å; S126-Y128 WeakPolarHBondContact CB-O 3.27Å; S126-Y128 PolarHBondContact OG-O 2.99Å
127K92.4Very high91.8Very high113 Ų11368 Ų6849%0.49132%0.315SS..SBendtrans-73.5-40.4-179.2178.2-177.9171-167.90110.7L106 D108 T125L106-K127 PolarHBondContact O-N 3.2Å; D108-K127 WeakPolarHBondContact OD1-CD 3.42Å; D108-K127 IonicContact OD1-NZ 3.44Å; D108-K127 PolarHBondContact OD1-NZ 3.27Å; D108-K127 IonicContact OD2-NZ 3.71Å; D108-K127 PolarHBondContact OD2-NZ 2.76Å; T125-K127 PolarHBondContact O-N 2.81Å
128Y94Very high91.8Very high103 Ų10370 Ų7040%0.40433%0.325SS..SBendtrans-100.7145.6171.4-53.4-64.9000108.9V105 L106 D108 S126V105-Y128 HydrophobicContact CG1-CD2 4.49Å; V105-Y128 WeakPolarHBondContact O-CD2 3.25Å; L106-Y128 PolarHBondContact O-N 3.22Å; D108-Y128 WeakPolarHBondContact OD1-CE2 3.47Å; D108-Y128 PolarHBondContact OD1-OH 3.25Å; S126-Y128 VanDerWaalsContact CB-O 3.29Å; S126-Y128 WeakPolarHBondContact CB-O 3.27Å; S126-Y128 PolarHBondContact OG-O 2.99Å
129Y89.4Confident91.8Very high138 Ų13867.5 Ų67.554%0.54132%0.322SS..  trans-66.9145.7168.8-65.5-77.5000109.6L64 L66 W131L64-Y129 HydrophobicContact CD1-CD1 4.11Å; L64-Y129 HydrophobicContact CD1-CG 3.79Å; L64-Y129 HydrophobicContact CD2-CD1 4.03Å; L64-Y129 HydrophobicContact CD2-CE1 4.39Å; L64-Y129 HydrophobicContact CD2-CG 4.41Å; L64-Y129 HydrophobicContact CG-CD1 4.11Å; L64-Y129 HydrophobicContact CG-CG 4.31Å; L66-Y129 HydrophobicContact CD1-CD1 4.05Å; L66-Y129 HydrophobicContact CD1-CE1 4.05Å; Y129-W131 VanDerWaalsContact C-N 3.34Å; Y129-W131 PolarHBondContact O-N 3.46Å
130F91.8Very high91.7Very high0 Ų068.4 Ų68.40%033%0.327CS..EExtended strand (participates in β ladder)trans-79.789.1174.4-159.7-35.2000107.6G65 A92 Y94 V104 L106 L137 V143 F171G65-F130 PolarHBondContact N-O 2.86Å; G65-F130 WeakPolarHBondContact O-CB 3.44Å; G65-F130 PolarHBondContact O-N 3.23Å; A92-F130 HydrophobicContact CB-CD2 4.32Å; A92-F130 HydrophobicContact CB-CE2 3.35Å; A92-F130 HydrophobicContact CB-CZ 3.52Å; Y94-F130 AromaticContact CD1-CE1 3.8Å; Y94-F130 HydrophobicContact CD1-CE1 3.8Å; Y94-F130 AromaticContact CD1-CZ 3.59Å; Y94-F130 HydrophobicContact CD1-CZ 3.59Å; Y94-F130 AromaticContact CE1-CE1 3.28Å; Y94-F130 HydrophobicContact CE1-CE1 3.28Å; Y94-F130 AromaticContact CE1-CZ 3.59Å; Y94-F130 HydrophobicContact CE1-CZ 3.59Å; Y94-F130 HydrophobicContact CG-CZ 4.35Å; Y94-F130 AromaticContact CZ-CE1 3.69Å; V104-F130 HydrophobicContact CB-CE1 4.26Å; V104-F130 HydrophobicContact CG2-CE1 4.21Å; L106-F130 HydrophobicContact CD1-CD2 3.7Å; L106-F130 HydrophobicContact CD1-CE2 3.99Å; L106-F130 HydrophobicContact CD2-CB 3.75Å; L106-F130 HydrophobicContact CD2-CD1 4.4Å; L106-F130 HydrophobicContact CD2-CD2 3.69Å; L106-F130 HydrophobicContact CD2-CE2 4.37Å; L106-F130 HydrophobicContact CD2-CG 3.7Å; L106-F130 HydrophobicContact CG-CD2 4.31Å; F130-L137 HydrophobicContact CB-CD1 4.35Å; F130-L137 HydrophobicContact CD1-CD1 3.63Å; F130-L137 HydrophobicContact CD1-CD2 3.76Å; F130-L137 HydrophobicContact CD1-CG 4.37Å; F130-L137 HydrophobicContact CE1-CD1 4.18Å; F130-L137 HydrophobicContact CE1-CD2 3.41Å; F130-L137 VanDerWaalsContact CE1-CD2 3.41Å; F130-L137 HydrophobicContact CE1-CG 4.46Å; F130-L137 HydrophobicContact CG-CD1 4.09Å; F130-L137 HydrophobicContact CZ-CD2 3.9Å; F130-L137 VanDerWaalsContact O-CD1 3.23Å; F130-L137 WeakPolarHBondContact O-CD1 3.38Å; F130-V143 HydrophobicContact CE2-CG1 3.74Å; F130-V143 HydrophobicContact CZ-CG1 3.95Å; F130-F171 HydrophobicContact CD2-CE2 4Å; F130-F171 AromaticContact CD2-CZ 3.71Å; F130-F171 HydrophobicContact CD2-CZ 3.71Å; F130-F171 AromaticContact CE2-CE2 3.86Å; F130-F171 HydrophobicContact CE2-CE2 3.86Å; F130-F171 HydrophobicContact CE2-CZ 4.02Å; F130-F171 HydrophobicContact CG-CZ 4.31Å; F130-F171 HydrophobicContact CZ-CE2 4.38Å
131W90.7Very high91.7Very high101 Ų10170.7 Ų70.738%0.38334%0.336SS..EExtended strand (participates in β ladder)trans-89.2129.2179.2-165.7-81.6000110.5A51 D53 N62 L64 Y129A51-W131 HydrophobicContact CB-CH2 3.74Å; A51-W131 HydrophobicContact CB-CZ3 3.62Å; D53-W131 HydrophobicContact CB-CZ2 4.23Å; N62-W131 HydrophobicContact CB-CH2 4.38Å; N62-W131 HydrophobicContact CB-CZ2 3.66Å; N62-W131 WeakPolarHBondContact ND2-CZ2 3.44Å; N62-W131 PolarHBondContact ND2-NE1 2.91Å; L64-W131 HydrophobicContact CD1-CE3 3.41Å; L64-W131 VanDerWaalsContact CD1-CE3 3.41Å; L64-W131 HydrophobicContact CD1-CZ3 3.75Å; Y129-W131 VanDerWaalsContact C-N 3.34Å; Y129-W131 PolarHBondContact O-N 3.46Å
132D90.8Very high91.6Very high5 Ų571.9 Ų71.93%0.02735%0.347CS..  trans-117.2143.4168.7179.855000110.1N62 D63 Y94 G134 G136 L137N62-D132 VanDerWaalsContact CB-O 3.29Å; N62-D132 WeakPolarHBondContact CB-O 3.46Å; D63-D132 HydrophobicContact CB-CB 4.39Å; D63-D132 PolarHBondContact O-N 2.82Å; D63-D132 VanDerWaalsContact O-N 3.16Å; Y94-D132 HydrophobicContact CE2-CB 4.44Å; Y94-D132 WeakPolarHBondContact OH-CB 3.32Å; Y94-D132 PolarHBondContact OH-OD1 3.47Å; D132-G134 PolarHBondContact O-N 2.92Å; D132-G136 WeakPolarHBondContact OD2-CA 3.5Å; D132-G136 PolarHBondContact OD2-N 3.44Å; D132-L137 HydrophobicContact CB-CD1 3.92Å; D132-L137 HydrophobicContact CB-CD2 4.09Å; D132-L137 HydrophobicContact CB-CG 3.63Å
133D84.6Confident91.7Very high124 Ų12463.6 Ų63.666%0.66331%0.311SS*.SBendtrans-84.986.2174.4-173.817.4000108.4
134G86.1Confident91.8Very high19 Ų1956.9 Ų56.920%0.19628%0.284CS..SBendtrans123.3-147.6-173.800000113.8N62 D63 D132N62-G134 PolarHBondContact OD1-N 3.15Å; D63-G134 PolarHBondContact N-O 3.15Å; D132-G134 PolarHBondContact O-N 2.92Å
135Y89.4Confident91.9Very high127 Ų12755.6 Ų55.650%0.49828%0.278SS..SBendtrans-118.134.4-173.9-54.3-67.3000112.5Q61 D63 Y175Q61-Y135 HydrophobicContact CB-CE1 4.41Å; Q61-Y135 WeakPolarHBondContact O-CE1 3.29Å; Q61-Y135 PolarHBondContact O-OH 3.43Å; D63-Y135 WeakPolarHBondContact OD1-CD1 3.36Å; D63-Y135 WeakPolarHBondContact OD2-CA 3.36Å; Y135-Y175 VanDerWaalsContact CD1-OH 3.31Å; Y135-Y175 WeakPolarHBondContact CD1-OH 3.27Å
136G89.3Confident92.1Very high11 Ų1153 Ų5311%0.11326%0.262CS..  trans-82.9-6.2-174.100000114.7D132 N140D132-G136 WeakPolarHBondContact OD2-CA 3.5Å; D132-G136 PolarHBondContact OD2-N 3.44Å; G136-N140 WeakPolarHBondContact O-CB 3.44Å; G136-N140 PolarHBondContact O-ND2 3.49Å
137L92.2Very high92.4Very high0 Ų052.5 Ų52.50%026%0.259CS..SBendtrans-94-40.6178.9-57.1-178.3000112V48 D63 Y94 F130 D132 G139 N140 F171V48-L137 HydrophobicContact CG1-CB 4.19Å; V48-L137 HydrophobicContact CG2-CB 4.22Å; D63-L137 HydrophobicContact CB-CB 3.88Å; D63-L137 HydrophobicContact CB-CD1 3.95Å; D63-L137 HydrophobicContact CB-CG 3.96Å; D63-L137 PolarHBondContact OD2-N 2.95Å; D63-L137 VanDerWaalsContact OD2-N 3.09Å; Y94-L137 HydrophobicContact CD2-CD2 3.94Å; Y94-L137 HydrophobicContact CE1-CD2 4.38Å; Y94-L137 HydrophobicContact CE2-CD2 3.56Å; Y94-L137 HydrophobicContact CG-CD2 4.48Å; F130-L137 HydrophobicContact CB-CD1 4.35Å; F130-L137 HydrophobicContact CD1-CD1 3.63Å; F130-L137 HydrophobicContact CD1-CD2 3.76Å; F130-L137 HydrophobicContact CD1-CG 4.37Å; F130-L137 HydrophobicContact CE1-CD1 4.18Å; F130-L137 HydrophobicContact CE1-CD2 3.41Å; F130-L137 VanDerWaalsContact CE1-CD2 3.41Å; F130-L137 HydrophobicContact CE1-CG 4.46Å; F130-L137 HydrophobicContact CG-CD1 4.09Å; F130-L137 HydrophobicContact CZ-CD2 3.9Å; F130-L137 VanDerWaalsContact O-CD1 3.23Å; F130-L137 WeakPolarHBondContact O-CD1 3.38Å; D132-L137 HydrophobicContact CB-CD1 3.92Å; D132-L137 HydrophobicContact CB-CD2 4.09Å; D132-L137 HydrophobicContact CB-CG 3.63Å; L137-G139 PolarHBondContact O-N 3.38Å; L137-N140 VanDerWaalsContact O-CB 3.29Å; L137-N140 WeakPolarHBondContact O-CB 3.47Å; L137-N140 PolarHBondContact O-N 3.17Å; L137-F171 HydrophobicContact CB-CD2 4.26Å; L137-F171 HydrophobicContact CB-CE2 4.43Å; L137-F171 HydrophobicContact CD2-CD2 4.5Å; L137-F171 HydrophobicContact CD2-CE2 4.13Å; L137-F171 WeakPolarHBondContact O-CB 3.18Å
138I92.5Very high92.7Very high42 Ų4247.4 Ų47.422%0.21524%0.237CC..THydrogen-bonded Turntrans-59.8125.8179.8-174.3162.4000111.2D63 N140 S173 Y175D63-I138 PolarHBondContact OD2-N 3.19Å; I138-N140 PolarHBondContact O-N 3.01Å; I138-S173 WeakPolarHBondContact CD1-O 3.41Å; I138-Y175 HydrophobicContact CB-CE1 4.15Å; I138-Y175 HydrophobicContact CB-CE2 4.43Å; I138-Y175 HydrophobicContact CD1-CD1 4.11Å; I138-Y175 HydrophobicContact CD1-CD2 3.35Å; I138-Y175 HydrophobicContact CD1-CE1 3.92Å; I138-Y175 HydrophobicContact CD1-CE2 3.08Å; I138-Y175 HydrophobicContact CD1-CG 3.86Å; I138-Y175 VanDerWaalsContact CD1-CZ 3.43Å; I138-Y175 HydrophobicContact CG1-CE2 4.31Å; I138-Y175 HydrophobicContact CG2-CE2 4.42Å; I138-Y175 WeakPolarHBondContact CG2-OH 3.37Å
139G92.2Very high92.8Very high30 Ų3042.6 Ų42.631%0.30922%0.218SC..THydrogen-bonded Turntrans63.219.1-177.600000114.4L137 D141 P172L137-G139 PolarHBondContact O-N 3.38Å; G139-D141 PolarHBondContact O-N 3.48Å; G139-P172 PolarHBondContact N-O 2.98Å
140N93.6Very high93.1Very high20 Ų2037.1 Ų37.111%0.10720%0.198CC..  trans-70.6117.7174.5-161.6-50.2000110.1K95 G136 L137 I138 N142 V143 S170 F171K95-N140 PolarHBondContact O-ND2 2.73Å; G136-N140 WeakPolarHBondContact O-CB 3.44Å; G136-N140 PolarHBondContact O-ND2 3.49Å; L137-N140 VanDerWaalsContact O-CB 3.29Å; L137-N140 WeakPolarHBondContact O-CB 3.47Å; L137-N140 PolarHBondContact O-N 3.17Å; I138-N140 PolarHBondContact O-N 3.01Å; N140-N142 PolarHBondContact OD1-N 3.25Å; N140-N142 PolarHBondContact OD1-O 3.31Å; N140-V143 HydrophobicContact CB-CG2 4.12Å; N140-S170 CarbonylContact O-C 3.56Å; N140-S170 WeakPolarHBondContact O-CA 3.42Å; N140-S170 WeakPolarHBondContact O-CB 3.37Å; N140-F171 PolarHBondContact O-N 2.74Å
141D92.9Very high93.3Very high130 Ų13038.1 Ų38.170%0.69520%0.204SC*.SBendtrans-78.2-20.1-175.1-65.6-30.7000113.4G139 S170G139-D141 PolarHBondContact O-N 3.48Å; D141-S170 PolarHBondContact O-OG 2.93Å
142N94.1Very high93.5Very high93 Ų9335.6 Ų35.650%0.49720%0.198SC..  trans-141.189.2-171.4-171.54.6000112.7N140 T144N140-N142 PolarHBondContact OD1-N 3.25Å; N140-N142 PolarHBondContact OD1-O 3.31Å; N142-T144 PolarHBondContact OD1-OG1 3.32Å
143V95.8Very high93.7Very high0 Ų036.5 Ų36.50%020%0.204CC..EExtended strand (participates in β ladder)trans-110.2117.2169.6-175.20000108.7A92 E93 F130 N140 S168 F169 F171A92-V143 HydrophobicContact CB-CG1 4.05Å; E93-V143 CarbonylContact O-C 3.6Å; E93-V143 WeakPolarHBondContact O-CA 3.37Å; F130-V143 HydrophobicContact CE2-CG1 3.74Å; F130-V143 HydrophobicContact CZ-CG1 3.95Å; N140-V143 HydrophobicContact CB-CG2 4.12Å; V143-S168 CarbonylContact O-C 3.53Å; V143-S168 VanDerWaalsContact O-CA 3.27Å; V143-S168 WeakPolarHBondContact O-CA 3.43Å; V143-F169 HydrophobicContact CB-CD1 4.16Å; V143-F169 HydrophobicContact CB-CE1 3.74Å; V143-F169 HydrophobicContact CB-CE2 4.31Å; V143-F169 HydrophobicContact CB-CZ 3.82Å; V143-F169 HydrophobicContact CG1-CD1 4.35Å; V143-F169 HydrophobicContact CG1-CE1 3.5Å; V143-F169 HydrophobicContact CG1-CZ 3.6Å; V143-F169 PolarHBondContact N-O 2.88Å; V143-F169 VanDerWaalsContact O-CD1 3.29Å; V143-F169 WeakPolarHBondContact O-CD1 3.46Å; V143-F169 PolarHBondContact O-N 3.28Å; V143-F171 HydrophobicContact CB-CE2 4.5Å; V143-F171 HydrophobicContact CG1-CE2 4.38Å; V143-F171 HydrophobicContact CG2-CD2 3.68Å; V143-F171 HydrophobicContact CG2-CE2 3.85Å
144T97Very high94.2Very high28 Ų2834.8 Ų34.817%0.17220%0.195CC..EExtended strand (participates in β ladder)trans-105.6123.9-176-61.80000110.7A92 E93 N142 T146 Y166 S168A92-T144 CarbonylContact C-O 3.53Å; A92-T144 WeakPolarHBondContact CA-O 3.45Å; E93-T144 PolarHBondContact N-O 2.81Å; E93-T144 PolarHBondContact O-N 3.37Å; N142-T144 PolarHBondContact OD1-OG1 3.32Å; T144-T146 HydrophobicContact CG2-CG2 4.33Å; T144-Y166 HydrophobicContact CG2-CD2 3.97Å; T144-Y166 HydrophobicContact CG2-CG 4.33Å; T144-S168 PolarHBondContact OG1-OG 3Å
145L97.1Very high94.5Very high0 Ų036.6 Ų36.60%020%0.199CC..EExtended strand (participates in β ladder)trans-94.2133.1175.7-63.3178.9000111I41 V43 I67 L90 S91 A92 L106 Y166 H167 F169I41-L145 HydrophobicContact CG2-CB 4.14Å; I41-L145 HydrophobicContact CG2-CD1 4.04Å; V43-L145 HydrophobicContact CG2-CD1 3.32Å; V43-L145 HydrophobicContact CG2-CG 4.5Å; I67-L145 HydrophobicContact CD1-CD1 4.02Å; I67-L145 HydrophobicContact CD1-CD2 4.1Å; L90-L145 HydrophobicContact CD1-CB 4.47Å; S91-L145 WeakPolarHBondContact O-CA 3.26Å; A92-L145 HydrophobicContact CB-CD2 3.59Å; L106-L145 HydrophobicContact CD1-CD2 3.9Å; L145-Y166 VanDerWaalsContact O-CA 3.28Å; L145-Y166 WeakPolarHBondContact O-CA 3.46Å; L145-Y166 WeakPolarHBondContact O-CB 3.26Å; L145-H167 PolarHBondContact N-O 3.01Å; L145-H167 PolarHBondContact O-N 3.44Å; L145-H167 VanDerWaalsContact O-N 3.15Å; L145-F169 HydrophobicContact CD1-CD1 4.25Å; L145-F169 HydrophobicContact CD1-CE1 3.93Å; L145-F169 HydrophobicContact CD2-CE1 4.07Å; L145-F169 HydrophobicContact CG-CD1 4.21Å; L145-F169 HydrophobicContact CG-CE1 3.78Å
146T97.4Very high94.7Very high19 Ų1932.2 Ų32.212%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-134.4133.3177.554.70000110.2S91 T144S91-T146 PolarHBondContact N-O 3.5Å; S91-T146 PolarHBondContact O-N 3.26Å; S91-T146 PolarHBondContact OG-O 3.5Å; S91-T146 PolarHBondContact OG-OG1 2.87Å; T144-T146 HydrophobicContact CG2-CG2 4.33Å
147L97.5Very high94.7Very high0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-92.3122.1170.1-176.973.2000108.6V39 I41 L71 L88 L90 W107 L119 G163V39-L147 HydrophobicContact CG1-CB 3.78Å; V39-L147 HydrophobicContact CG1-CD2 3.8Å; V39-L147 HydrophobicContact CG1-CG 4.44Å; V39-L147 HydrophobicContact CG2-CB 4.2Å; V39-L147 HydrophobicContact CG2-CD2 3.87Å; I41-L147 HydrophobicContact CD1-CB 4.38Å; L71-L147 HydrophobicContact CD1-CD2 4.32Å; L71-L147 HydrophobicContact CD2-CD1 4.25Å; L88-L147 HydrophobicContact CD2-CD1 4.41Å; L88-L147 HydrophobicContact CD2-CD2 4.2Å; L88-L147 HydrophobicContact CD2-CG 4.4Å; L90-L147 HydrophobicContact CB-CD1 4.48Å; L90-L147 HydrophobicContact CD1-CB 4.32Å; W107-L147 HydrophobicContact CZ3-CD1 4.32Å; L119-L147 HydrophobicContact CD1-CD2 3.98Å; L147-G163 PolarHBondContact O-N 2.84Å
148S97.2Very high94.7Very high5 Ų544.1 Ų44.14%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-125.3160.7175.9-62.20000110.4L88 Y89 D161 T162L88-S148 WeakPolarHBondContact CA-O 3.4Å; Y89-S148 PolarHBondContact N-O 3.2Å; Y89-S148 PolarHBondContact O-N 3.43Å; Y89-S148 VanDerWaalsContact O-O 3.08Å; S148-D161 WeakPolarHBondContact CA-O 3.45Å; S148-T162 PolarHBondContact OG-OG1 3.15Å
149W96.7Very high94.8Very high2 Ų243.8 Ų43.81%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-146153.9177.458.184.5000113.2A37 V39 L75 L78 F87 L88 D161 G163A37-W149 HydrophobicContact CB-CH2 3.79Å; A37-W149 HydrophobicContact CB-CZ2 4.39Å; A37-W149 HydrophobicContact CB-CZ3 4.45Å; V39-W149 HydrophobicContact CG2-CZ3 4.5Å; L75-W149 HydrophobicContact CD2-CZ3 4.41Å; L78-W149 HydrophobicContact CD1-CD2 4.09Å; L78-W149 HydrophobicContact CD1-CH2 4.24Å; L78-W149 HydrophobicContact CD1-CZ2 3.65Å; L78-W149 HydrophobicContact CD2-CZ2 4.09Å; F87-W149 CarbonylContact O-C 3.6Å; F87-W149 WeakPolarHBondContact O-CA 3.16Å; F87-W149 WeakPolarHBondContact O-CB 3.5Å; L88-W149 HydrophobicContact CD2-CB 3.84Å; L88-W149 HydrophobicContact CD2-CD2 4.48Å; L88-W149 HydrophobicContact CD2-CE3 4.13Å; L88-W149 HydrophobicContact CD2-CG 4.4Å; L88-W149 HydrophobicContact CG-CB 4Å; W149-D161 HydrophobicContact CZ2-CB 4.2Å; W149-D161 PolarHBondContact N-O 3.47Å; W149-D161 PolarHBondContact O-N 3.11Å; W149-G163 VanDerWaalsContact CH2-CA 3.48Å; W149-G163 VanDerWaalsContact CZ3-CA 3.45Å
150N96.3Very high94.9Very high24 Ų2448.3 Ų48.313%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-103.8122.9169.2-55-9.9000108.8F87 Y89 L158 T159 F160F87-N150 HydrophobicContact CB-CB 4.29Å; F87-N150 PolarHBondContact N-O 3.06Å; F87-N150 PolarHBondContact O-N 3.04Å; Y89-N150 WeakPolarHBondContact CE1-OD1 3.4Å; N150-L158 HydrophobicContact CB-CD1 3.84Å; N150-L158 HydrophobicContact CB-CD2 4.46Å; N150-L158 HydrophobicContact CB-CG 4.29Å; N150-T159 CarbonylContact C-O 3.57Å; N150-T159 VanDerWaalsContact CA-O 3.23Å; N150-T159 WeakPolarHBondContact CA-O 3.44Å; N150-F160 WeakPolarHBondContact ND2-CE1 3.49Å; N150-F160 WeakPolarHBondContact OD1-CD1 3.35Å; N150-F160 WeakPolarHBondContact OD1-CE1 3.42Å
151T95.4Very high94.9Very high20 Ų2048.8 Ų48.812%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-89.5108.8176.8-550000109.5V83 L86 P153 L158 T159V83-T151 HydrophobicContact CB-CG2 4.32Å; V83-T151 HydrophobicContact CG1-CG2 3.91Å; V83-T151 HydrophobicContact CG2-CG2 3.48Å; V83-T151 VanDerWaalsContact CG2-CG2 3.48Å; L86-T151 HydrophobicContact CD2-CG2 3.92Å; T151-P153 VanDerWaalsContact O-CD 3.26Å; T151-P153 WeakPolarHBondContact O-CD 3.27Å; T151-L158 WeakPolarHBondContact O-CD1 2.85Å; T151-T159 VanDerWaalsContact CB-OG1 3.25Å; T151-T159 WeakPolarHBondContact CB-OG1 3.4Å; T151-T159 PolarHBondContact N-O 3.33Å; T151-T159 PolarHBondContact O-N 3.45Å; T151-T159 PolarHBondContact OG1-OG1 2.84Å
152I95.5Very high95.1Very high49 Ų4946.4 Ų46.425%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-95109-179.8-63.7165.4000108.4K84 Q85 L158K84-I152 WeakPolarHBondContact CB-O 3.3Å; K84-I152 PolarHBondContact N-O 3.18Å; Q85-I152 HydrophobicContact CG-CB 3.82Å; Q85-I152 HydrophobicContact CG-CD1 3.83Å; Q85-I152 HydrophobicContact CG-CG1 4.35Å; Q85-I152 HydrophobicContact CG-CG2 4.17Å; Q85-I152 PolarHBondContact N-O 2.94Å; Q85-I152 VanDerWaalsContact NE2-CD1 3.26Å; Q85-I152 WeakPolarHBondContact O-CB 3.47Å; Q85-I152 PolarHBondContact O-N 3.13Å; I152-L158 HydrophobicContact CB-CD1 4.26Å; I152-L158 HydrophobicContact CD1-CD1 4.46Å; I152-L158 HydrophobicContact CG1-CD1 3.36Å
153P95.5Very high95.1Very high24 Ų2442.4 Ų42.416%0.15622%0.224CC..EExtended strand (participates in β ladder)trans-78.5166.7175.835.2-37.8000111.9N82 T151 I155 W157N82-P153 CarbonylContact O-C 3.47Å; N82-P153 WeakPolarHBondContact O-CA 3.49Å; T151-P153 VanDerWaalsContact O-CD 3.26Å; T151-P153 WeakPolarHBondContact O-CD 3.27Å; P153-I155 VanDerWaalsContact C-N 3.31Å; P153-I155 WeakPolarHBondContact CB-O 3.33Å; P153-W157 WeakPolarHBondContact CD-O 3.32Å; P153-W157 WeakPolarHBondContact CG-O 3.18Å
154N94.4Very high95Very high88 Ų8847.6 Ų47.647%0.47125%0.252SS..SBendtrans-67.8-36.4165.4-68.1-53.1000110.7N82 K84N82-N154 PolarHBondContact O-N 2.91Å; N82-N154 PolarHBondContact O-ND2 3.48Å; N82-N154 VanDerWaalsContact O-ND2 3.12Å; N82-N154 PolarHBondContact OD1-N 3.48Å; K84-N154 WeakPolarHBondContact CB-OD1 3.37Å
155I93.3Very high94.9Very high56 Ų5647.4 Ų47.429%0.28726%0.256SS..SBendtrans-143.7138.8173.8-173.661.5000111.1M23 C26 F27 N82 P153M23-I155 HydrophobicContact CB-CG1 4.15Å; M23-I155 HydrophobicContact CE-CB 3.63Å; M23-I155 HydrophobicContact CE-CD1 3.99Å; M23-I155 HydrophobicContact CE-CG1 3.98Å; M23-I155 HydrophobicContact CE-CG2 4.31Å; M23-I155 WeakPolarHBondContact O-CG2 3.38Å; M23-I155 HydrophobicContact SD-CB 3.99Å; M23-I155 HydrophobicContact SD-CG1 4.43Å; M23-I155 HydrophobicContact SD-CG2 4Å; C26-I155 HydrophobicContact CB-CG2 3.88Å; F27-I155 HydrophobicContact CB-CG2 4.39Å; N82-I155 PolarHBondContact ND2-O 3.26Å; N82-I155 PolarHBondContact OD1-N 2.98Å; P153-I155 VanDerWaalsContact C-N 3.31Å; P153-I155 WeakPolarHBondContact CB-O 3.33Å
156G91.7Very high94.8Very high35 Ų3555.6 Ų55.636%0.36129%0.288SS..SBendtrans116.6-153.8175.900000113.8
157W90.3Very high94.7Very high185 Ų18557 Ų5770%0.70129%0.293SS*.PPolyproline II helixtrans-88.4144.3-174.5-59.1-15.8000112.3F27 P153F27-W157 HydrophobicContact CE2-CD2 4.31Å; F27-W157 HydrophobicContact CE2-CG 4.14Å; F27-W157 HydrophobicContact CZ-CD2 4.13Å; F27-W157 AromaticContact CZ-CE2 3.86Å; F27-W157 HydrophobicContact CZ-CG 4.35Å; F27-W157 HydrophobicContact CZ-CZ2 4.28Å; F27-W157 AromaticContact CZ-NE1 3.9Å; P153-W157 WeakPolarHBondContact CD-O 3.32Å; P153-W157 WeakPolarHBondContact CG-O 3.18Å
158L92.5Very high94.7Very high77 Ų7759.6 Ų59.640%0.40331%0.311SS..PPolyproline II helixtrans-70.5126.4164.2-173.768.3000108.5N150 T151 I152 F160N150-L158 HydrophobicContact CB-CD1 3.84Å; N150-L158 HydrophobicContact CB-CD2 4.46Å; N150-L158 HydrophobicContact CB-CG 4.29Å; T151-L158 WeakPolarHBondContact O-CD1 2.85Å; I152-L158 HydrophobicContact CB-CD1 4.26Å; I152-L158 HydrophobicContact CD1-CD1 4.46Å; I152-L158 HydrophobicContact CG1-CD1 3.36Å; L158-F160 HydrophobicContact CB-CE2 4.39Å; L158-F160 HydrophobicContact CD2-CE1 4.05Å; L158-F160 HydrophobicContact CD2-CE2 3.74Å; L158-F160 HydrophobicContact CD2-CZ 3.34Å; L158-F160 HydrophobicContact CG-CE2 3.94Å; L158-F160 HydrophobicContact CG-CZ 4.01Å
159T93.3Very high94.6Very high34 Ų3460.2 Ų60.221%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-102.2148.2169.673.10000110.2N150 T151 D161N150-T159 CarbonylContact C-O 3.57Å; N150-T159 VanDerWaalsContact CA-O 3.23Å; N150-T159 WeakPolarHBondContact CA-O 3.44Å; T151-T159 VanDerWaalsContact CB-OG1 3.25Å; T151-T159 WeakPolarHBondContact CB-OG1 3.4Å; T151-T159 PolarHBondContact N-O 3.33Å; T151-T159 PolarHBondContact O-N 3.45Å; T151-T159 PolarHBondContact OG1-OG1 2.84Å; T159-D161 WeakPolarHBondContact CB-OD2 3.38Å; T159-D161 PolarHBondContact OG1-OD2 3.44Å
160F94.8Very high94.5Very high126 Ų12663.4 Ų63.455%0.55334%0.336SS*.EExtended strand (participates in β ladder)trans-118.9117.7176.1-60.5-101.1000105.8N150 L158N150-F160 WeakPolarHBondContact ND2-CE1 3.49Å; N150-F160 WeakPolarHBondContact OD1-CD1 3.35Å; N150-F160 WeakPolarHBondContact OD1-CE1 3.42Å; L158-F160 HydrophobicContact CB-CE2 4.39Å; L158-F160 HydrophobicContact CD2-CE1 4.05Å; L158-F160 HydrophobicContact CD2-CE2 3.74Å; L158-F160 HydrophobicContact CD2-CZ 3.34Å; L158-F160 HydrophobicContact CG-CE2 3.94Å; L158-F160 HydrophobicContact CG-CZ 4.01Å
161D95.2Very high94.4Very high30 Ų3062.6 Ų62.616%0.1633%0.331CS..EExtended strand (participates in β ladder)trans-134.3148.3-175.3-56.4-74.9000109R34 S148 W149 T159R34-D161 IonicContact NH1-OD1 2.73Å; S148-D161 WeakPolarHBondContact CA-O 3.45Å; W149-D161 HydrophobicContact CZ2-CB 4.2Å; W149-D161 PolarHBondContact N-O 3.47Å; W149-D161 PolarHBondContact O-N 3.11Å; T159-D161 WeakPolarHBondContact CB-OD2 3.38Å; T159-D161 PolarHBondContact OG1-OD2 3.44Å
162T95.8Very high94.3Very high79 Ų7963.9 Ų63.949%0.48534%0.34SS..EExtended strand (participates in β ladder)trans-113140.6179-59.40000109.2S148S148-T162 PolarHBondContact OG-OG1 3.15Å
163G94.2Very high94.1Very high9 Ų966.1 Ų66.19%0.09336%0.36CS..EExtended strand (participates in β ladder)trans-65.5150.8178.400000113.4L147 W149 G165L147-G163 PolarHBondContact O-N 2.84Å; W149-G163 VanDerWaalsContact CH2-CA 3.48Å; W149-G163 VanDerWaalsContact CZ3-CA 3.45Å; G163-G165 VanDerWaalsContact C-N 3.35Å; G163-G165 PolarHBondContact O-N 2.78Å
164N94.6Very high94Very high109 Ų10971.9 Ų71.958%0.58339%0.385SS*.EExtended strand (participates in β ladder)trans-77.290.3169.9-67.1-14.2000108.4S36 A37 S38 V39S36-N164 PolarHBondContact OG-ND2 3.45Å; S36-N164 PolarHBondContact OG-OD1 3.12Å; S36-N164 VanDerWaalsContact OG-OD1 3.1Å; A37-N164 PolarHBondContact O-N 3.07Å; S38-N164 WeakPolarHBondContact CA-O 3.04Å; V39-N164 PolarHBondContact N-O 3.27Å
165G93.5Very high93.8Very high24 Ų2470.3 Ų70.325%0.24737%0.372CS..EExtended strand (participates in β ladder)trans153.4139.8178.300000111.5V39 G163V39-G165 WeakPolarHBondContact O-CA 3.42Å; G163-G165 VanDerWaalsContact C-N 3.35Å; G163-G165 PolarHBondContact O-N 2.78Å
166Y95.5Very high93.6Very high173 Ų17371.1 Ų71.168%0.67838%0.38SS*.EExtended strand (participates in β ladder)trans-146.8159.7174.362.7-91000109.1T144 L145T144-Y166 HydrophobicContact CG2-CD2 3.97Å; T144-Y166 HydrophobicContact CG2-CG 4.33Å; L145-Y166 VanDerWaalsContact O-CA 3.28Å; L145-Y166 WeakPolarHBondContact O-CA 3.46Å; L145-Y166 WeakPolarHBondContact O-CB 3.26Å
167H96.3Very high93.1Very high49 Ų4974.2 Ų74.223%0.22739%0.388CS..EExtended strand (participates in β ladder)trans-136.3125.1175.3-175.387.9000110I41 L145I41-H167 HydrophobicContact CB-CB 3.88Å; I41-H167 HydrophobicContact CG2-CB 4.03Å; I41-H167 VanDerWaalsContact O-CB 3.29Å; I41-H167 WeakPolarHBondContact O-CB 3.44Å; I41-H167 PolarHBondContact O-ND1 2.66Å; L145-H167 PolarHBondContact N-O 3.01Å; L145-H167 PolarHBondContact O-N 3.44Å; L145-H167 VanDerWaalsContact O-N 3.15Å
168S96.2Very high92.3Very high54 Ų5468 Ų6838%0.37837%0.368SS..EExtended strand (participates in β ladder)trans-103.5133.3176.8-530000109.9V143 T144V143-S168 CarbonylContact O-C 3.53Å; V143-S168 VanDerWaalsContact O-CA 3.27Å; V143-S168 WeakPolarHBondContact O-CA 3.43Å; T144-S168 PolarHBondContact OG1-OG 3Å
169F95.3Very high90.9Very high18 Ų1876 Ų768%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-137.3168.7177.673.6-79.8000110.2V43 A46 I67 V143 L145 F171V43-F169 HydrophobicContact CB-CB 4.34Å; V43-F169 HydrophobicContact CB-CD1 4.37Å; V43-F169 HydrophobicContact CB-CG 4.21Å; V43-F169 HydrophobicContact CG1-CD1 4.5Å; V43-F169 HydrophobicContact CG1-CD2 4.12Å; V43-F169 HydrophobicContact CG1-CE2 4.46Å; V43-F169 HydrophobicContact CG1-CG 4.15Å; V43-F169 HydrophobicContact CG2-CB 4.45Å; V43-F169 HydrophobicContact CG2-CD1 3.7Å; V43-F169 HydrophobicContact CG2-CE1 4.1Å; V43-F169 HydrophobicContact CG2-CG 4.04Å; A46-F169 HydrophobicContact CB-CD2 3.93Å; A46-F169 HydrophobicContact CB-CE2 3.7Å; I67-F169 HydrophobicContact CD1-CE1 4.45Å; I67-F169 HydrophobicContact CD1-CZ 4.23Å; I67-F169 HydrophobicContact CG2-CE2 4.02Å; I67-F169 HydrophobicContact CG2-CZ 3.89Å; V143-F169 HydrophobicContact CB-CD1 4.16Å; V143-F169 HydrophobicContact CB-CE1 3.74Å; V143-F169 HydrophobicContact CB-CE2 4.31Å; V143-F169 HydrophobicContact CB-CZ 3.82Å; V143-F169 HydrophobicContact CG1-CD1 4.35Å; V143-F169 HydrophobicContact CG1-CE1 3.5Å; V143-F169 HydrophobicContact CG1-CZ 3.6Å; V143-F169 PolarHBondContact N-O 2.88Å; V143-F169 VanDerWaalsContact O-CD1 3.29Å; V143-F169 WeakPolarHBondContact O-CD1 3.46Å; V143-F169 PolarHBondContact O-N 3.28Å; L145-F169 HydrophobicContact CD1-CD1 4.25Å; L145-F169 HydrophobicContact CD1-CE1 3.93Å; L145-F169 HydrophobicContact CD2-CE1 4.07Å; L145-F169 HydrophobicContact CG-CD1 4.21Å; L145-F169 HydrophobicContact CG-CE1 3.78Å; F169-F171 HydrophobicContact CE2-CD1 4.26Å; F169-F171 HydrophobicContact CE2-CD2 4.08Å; F169-F171 HydrophobicContact CE2-CE1 4.06Å; F169-F171 AromaticContact CE2-CE2 3.83Å; F169-F171 HydrophobicContact CE2-CE2 3.83Å; F169-F171 HydrophobicContact CE2-CG 4.29Å; F169-F171 AromaticContact CE2-CZ 3.83Å; F169-F171 HydrophobicContact CE2-CZ 3.83Å; F169-F171 AromaticContact CZ-CE2 3.91Å; F169-F171 HydrophobicContact CZ-CE2 3.91Å; F169-F171 AromaticContact CZ-CZ 3.94Å; F169-F171 HydrophobicContact CZ-CZ 3.94Å
170S94.6Very high90.8Very high68 Ų6878.2 Ų78.248%0.47641%0.409SS..  trans-117144.2178.4-440000110.2N140 D141N140-S170 CarbonylContact O-C 3.56Å; N140-S170 WeakPolarHBondContact O-CA 3.42Å; N140-S170 WeakPolarHBondContact O-CB 3.37Å; D141-S170 PolarHBondContact O-OG 2.93Å
171F94.1Very high90.6Very high8 Ų875.6 Ų75.64%0.03540%0.402CS..  trans-85150.5170.7-84.4-70.2000110.8A46 V48 I67 F130 L137 N140 V143 F169A46-F171 HydrophobicContact CB-CD1 3.81Å; A46-F171 HydrophobicContact CB-CE1 3.86Å; V48-F171 HydrophobicContact CG2-CB 3.86Å; V48-F171 HydrophobicContact CG2-CD1 3.25Å; V48-F171 HydrophobicContact CG2-CE1 3.85Å; V48-F171 HydrophobicContact CG2-CG 3.67Å; I67-F171 HydrophobicContact CG2-CE1 3.7Å; I67-F171 HydrophobicContact CG2-CZ 3.68Å; F130-F171 HydrophobicContact CD2-CE2 4Å; F130-F171 AromaticContact CD2-CZ 3.71Å; F130-F171 HydrophobicContact CD2-CZ 3.71Å; F130-F171 AromaticContact CE2-CE2 3.86Å; F130-F171 HydrophobicContact CE2-CE2 3.86Å; F130-F171 HydrophobicContact CE2-CZ 4.02Å; F130-F171 HydrophobicContact CG-CZ 4.31Å; F130-F171 HydrophobicContact CZ-CE2 4.38Å; L137-F171 HydrophobicContact CB-CD2 4.26Å; L137-F171 HydrophobicContact CB-CE2 4.43Å; L137-F171 HydrophobicContact CD2-CD2 4.5Å; L137-F171 HydrophobicContact CD2-CE2 4.13Å; L137-F171 WeakPolarHBondContact O-CB 3.18Å; N140-F171 PolarHBondContact O-N 2.74Å; V143-F171 HydrophobicContact CB-CE2 4.5Å; V143-F171 HydrophobicContact CG1-CE2 4.38Å; V143-F171 HydrophobicContact CG2-CD2 3.68Å; V143-F171 HydrophobicContact CG2-CE2 3.85Å; F169-F171 HydrophobicContact CE2-CD1 4.26Å; F169-F171 HydrophobicContact CE2-CD2 4.08Å; F169-F171 HydrophobicContact CE2-CE1 4.06Å; F169-F171 AromaticContact CE2-CE2 3.83Å; F169-F171 HydrophobicContact CE2-CE2 3.83Å; F169-F171 HydrophobicContact CE2-CG 4.29Å; F169-F171 AromaticContact CE2-CZ 3.83Å; F169-F171 HydrophobicContact CE2-CZ 3.83Å; F169-F171 AromaticContact CZ-CE2 3.91Å; F169-F171 HydrophobicContact CZ-CE2 3.91Å; F169-F171 AromaticContact CZ-CZ 3.94Å; F169-F171 HydrophobicContact CZ-CZ 3.94Å
172P93.3Very high90.4Very high47 Ų4778.2 Ų78.231%0.30542%0.415SS..  trans-65.1151.7176.628.7-34.3000111.3G139 Q174G139-P172 PolarHBondContact N-O 2.98Å; P172-Q174 PolarHBondContact O-N 2.93Å
173S91.9Very high90Very high95 Ų9578.1 Ų78.166%0.66441%0.411SS*.SBendtrans-80.67.617556.90000113.9I138I138-S173 WeakPolarHBondContact CD1-O 3.41Å
174Q92.4Very high89.8Confident146 Ų14682.4 Ų82.468%0.68243%0.431SS*.SBendtrans-130.3138.8-179.4-65.6-177.9-3.900110.2P172P172-Q174 PolarHBondContact O-N 2.93Å
175Y91.6Very high89.4Confident55 Ų5580.7 Ų80.722%0.21642%0.421CS..  trans-72.4139.4172.5-67.9-73.3000111.1V48 R50 D63 Y135 I138V48-Y175 HydrophobicContact CB-CD1 4.39Å; V48-Y175 HydrophobicContact CG1-CD1 3.98Å; V48-Y175 HydrophobicContact CG1-CE1 3.74Å; V48-Y175 WeakPolarHBondContact O-CA 3.34Å; R50-Y175 HydrophobicContact CG-CD1 3.67Å; R50-Y175 HydrophobicContact CG-CD2 4.25Å; R50-Y175 HydrophobicContact CG-CE1 3.5Å; R50-Y175 VanDerWaalsContact CG-CE1 3.5Å; R50-Y175 HydrophobicContact CG-CE2 4.12Å; R50-Y175 HydrophobicContact CG-CG 4.03Å; R50-Y175 VanDerWaalsContact NH2-CD2 3.28Å; D63-Y175 WeakPolarHBondContact OD1-CE1 3.43Å; D63-Y175 VanDerWaalsContact OD1-CZ 3.27Å; D63-Y175 PolarHBondContact OD1-OH 3.32Å; Y135-Y175 VanDerWaalsContact CD1-OH 3.31Å; Y135-Y175 WeakPolarHBondContact CD1-OH 3.27Å; I138-Y175 HydrophobicContact CB-CE1 4.15Å; I138-Y175 HydrophobicContact CB-CE2 4.43Å; I138-Y175 HydrophobicContact CD1-CD1 4.11Å; I138-Y175 HydrophobicContact CD1-CD2 3.35Å; I138-Y175 HydrophobicContact CD1-CE1 3.92Å; I138-Y175 HydrophobicContact CD1-CE2 3.08Å; I138-Y175 HydrophobicContact CD1-CG 3.86Å; I138-Y175 VanDerWaalsContact CD1-CZ 3.43Å; I138-Y175 HydrophobicContact CG1-CE2 4.31Å; I138-Y175 HydrophobicContact CG2-CE2 4.42Å; I138-Y175 WeakPolarHBondContact CG2-OH 3.37Å
176V88Confident89.2Confident73 Ų7384.7 Ų84.744%0.44243%0.433SS..  trans-123.3126.5170.2-176.20000107.2I47 V48 D49 I178I47-V176 HydrophobicContact CG2-CB 3.77Å; I47-V176 HydrophobicContact CG2-CG1 4.41Å; I47-V176 HydrophobicContact CG2-CG2 4.5Å; V48-V176 PolarHBondContact O-N 2.81Å; D49-V176 WeakPolarHBondContact CB-O 3.33Å; V176-I178 PolarHBondContact O-N 2.94Å
177N81Confident88.7Confident100 Ų10077.9 Ų77.954%0.53541%0.414SS..  trans-65127.3178.6-151.8-94.5000109.8K179N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 VanDerWaalsContact OD1-CB 3.3Å; N177-K179 WeakPolarHBondContact OD1-CB 3.4Å; N177-K179 WeakPolarHBondContact OD1-CG 3.45Å; N177-K179 PolarHBondContact OD1-N 2.72Å
178I74Confident88Confident55 Ų5580.3 Ų80.328%0.28243%0.43SS..  trans-84.9-3.4-176.9-71.3166.6000112I47 D49 L66 V176I47-I178 HydrophobicContact CG2-CD1 4.14Å; I47-I178 HydrophobicContact CG2-CG1 3.84Å; D49-I178 HydrophobicContact CB-CB 4.22Å; D49-I178 HydrophobicContact CB-CD1 3.47Å; D49-I178 VanDerWaalsContact CB-CD1 3.47Å; D49-I178 HydrophobicContact CB-CG1 3.71Å; D49-I178 PolarHBondContact OD2-N 3.36Å; L66-I178 HydrophobicContact CB-CD1 3.96Å; L66-I178 HydrophobicContact CD2-CG2 4.42Å; V176-I178 PolarHBondContact O-N 2.94Å
179K64.2Low87.3Confident245 Ų24582.7 Ų82.7100%1.06544%0.435SS*.  trans-78.20176.6-60.8179.8178.8175.10112.8N177N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 VanDerWaalsContact OD1-CB 3.3Å; N177-K179 WeakPolarHBondContact OD1-CB 3.4Å; N177-K179 WeakPolarHBondContact OD1-CG 3.45Å; N177-K179 PolarHBondContact OD1-N 2.72Å

Retrieved 179 of 179 residues in 267.3 ms (Link to these results)

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