A0A087Y9D5_POEFO Loading...

Coiled-coil domain-containing protein 25

AlphaFold DB , UniProt , Accession A0A087Y9D5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M83.1Confident86.2Confident25 Ų2540.9 Ų40.912%0.12324%0.24CC..  0119.70-167.3172121.300110.9F3 K20 E24 F140M1-F3 HydrophobicContact CE-CD1 4.37Å; M1-F3 HydrophobicContact CE-CE1 3.28Å; M1-F3 HydrophobicContact CE-CE2 4.4Å; M1-F3 HydrophobicContact CE-CZ 3.31Å; M1-K20 HydrophobicContact CB-CB 4.25Å; M1-K20 HydrophobicContact CB-CD 4.21Å; M1-K20 HydrophobicContact CE-CB 4.39Å; M1-K20 HydrophobicContact CE-CD 3.49Å; M1-K20 VanDerWaalsContact CE-CD 3.49Å; M1-K20 HydrophobicContact CE-CG 3.96Å; M1-K20 HydrophobicContact CG-CD 4.4Å; M1-K20 WeakPolarHBondContact O-CB 3.46Å; M1-K20 PolarHBondContact O-N 3.28Å; M1-K20 VanDerWaalsContact O-N 3.16Å; M1-K20 HydrophobicContact SD-CD 3.79Å; M1-E24 PolarHBondContact N-OE1 2.7Å; M1-E24 PolarHBondContact N-OE2 2.78Å; M1-F140 HydrophobicContact CB-CD1 4.11Å; M1-F140 HydrophobicContact CB-CE1 3.59Å; M1-F140 HydrophobicContact CB-CZ 4.08Å; M1-F140 HydrophobicContact CG-CD1 4.46Å; M1-F140 HydrophobicContact CG-CE1 3.8Å; M1-F140 HydrophobicContact CG-CE2 4.36Å; M1-F140 HydrophobicContact CG-CZ 3.73Å; M1-F140 HydrophobicContact SD-CE1 4.15Å; M1-F140 HydrophobicContact SD-CZ 3.74Å
2V86.6Confident86Confident1 Ų144.5 Ų44.51%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-121.1134.1-177-177.50000108.7Y4 Y17 L28 R139 P141V2-Y4 HydrophobicContact CB-CD2 4.43Å; V2-Y4 HydrophobicContact CB-CE2 3.83Å; V2-Y4 HydrophobicContact CG1-CD2 4.05Å; V2-Y4 HydrophobicContact CG1-CE2 3.54Å; V2-Y17 HydrophobicContact CG1-CD2 4.22Å; V2-L28 HydrophobicContact CG1-CD1 4.35Å; V2-L28 HydrophobicContact CG1-CD2 4.21Å; V2-L28 HydrophobicContact CG2-CD1 4.37Å; V2-L28 HydrophobicContact CG2-CD2 3.99Å; V2-L28 HydrophobicContact CG2-CG 4.39Å; V2-R139 PolarHBondContact N-O 3.44Å; V2-R139 PolarHBondContact O-N 3.04Å; V2-P141 HydrophobicContact CB-CG 4.03Å; V2-P141 HydrophobicContact CG2-CG 3.83Å
3F89.7Confident86Confident26 Ų2646.5 Ų46.511%0.11428%0.281CS..EExtended strand (participates in β ladder)trans-92.3127.7172.7-59.9-55.5000109.2M1 F5 Y17 M18 K20 K136 E137 E138M1-F3 HydrophobicContact CE-CD1 4.37Å; M1-F3 HydrophobicContact CE-CE1 3.28Å; M1-F3 HydrophobicContact CE-CE2 4.4Å; M1-F3 HydrophobicContact CE-CZ 3.31Å; F3-F5 HydrophobicContact CB-CE2 3.76Å; F3-F5 HydrophobicContact CB-CZ 4.01Å; F3-Y17 CarbonylContact O-C 3.37Å; F3-Y17 WeakPolarHBondContact O-CA 3.29Å; F3-Y17 WeakPolarHBondContact O-CB 3.38Å; F3-M18 HydrophobicContact CB-CG 3.97Å; F3-M18 HydrophobicContact CD2-CG 4.15Å; F3-M18 PolarHBondContact N-O 3.43Å; F3-M18 PolarHBondContact O-N 3.41Å; F3-K20 HydrophobicContact CE2-CB 3.99Å; F3-K20 HydrophobicContact CE2-CG 4.02Å; F3-K20 HydrophobicContact CZ-CB 4.34Å; F3-K20 HydrophobicContact CZ-CG 4.09Å; F3-K136 HydrophobicContact CD1-CD 4.46Å; F3-E137 WeakPolarHBondContact CA-O 3.15Å; F3-E138 HydrophobicContact CD1-CB 4.31Å; F3-E138 HydrophobicContact CD1-CG 3.81Å; F3-E138 HydrophobicContact CE1-CB 4.41Å; F3-E138 HydrophobicContact CE1-CG 3.79Å; F3-E138 VanDerWaalsContact CE1-OE1 3.27Å; F3-E138 WeakPolarHBondContact CE1-OE1 3.29Å
4Y91.2Very high86.2Confident34 Ų3444.1 Ų44.113%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-107.2144.3172.8-71.4-99.2000109.3V2 T15 I16 Y17 K136 E137 R139 P141V2-Y4 HydrophobicContact CB-CD2 4.43Å; V2-Y4 HydrophobicContact CB-CE2 3.83Å; V2-Y4 HydrophobicContact CG1-CD2 4.05Å; V2-Y4 HydrophobicContact CG1-CE2 3.54Å; Y4-T15 HydrophobicContact CD1-CG2 3.92Å; Y4-I16 CarbonylContact C-O 3.6Å; Y4-I16 WeakPolarHBondContact CA-O 3.37Å; Y4-Y17 HydrophobicContact CD1-CG 4.45Å; Y4-Y17 HydrophobicContact CE1-CD1 4.41Å; Y4-Y17 HydrophobicContact CE1-CG 4.18Å; Y4-K136 CarbonylContact O-C 3.53Å; Y4-K136 VanDerWaalsContact O-CA 3.31Å; Y4-K136 WeakPolarHBondContact O-CA 3.43Å; Y4-E137 PolarHBondContact N-O 3.11Å; Y4-E137 PolarHBondContact O-N 3.23Å; Y4-R139 HydrophobicContact CD2-CB 3.75Å; Y4-R139 HydrophobicContact CD2-CG 3.68Å; Y4-R139 HydrophobicContact CE2-CB 3.69Å; Y4-R139 HydrophobicContact CE2-CG 4.02Å; Y4-P141 HydrophobicContact CE2-CG 4.06Å; Y4-P141 WeakPolarHBondContact OH-CG 3.39Å
5F91.9Very high86.5Confident6 Ų644.9 Ų44.93%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-135.6148.3177.2-54-92.3000108.2F3 I16 M18 L73 L132 K136F3-F5 HydrophobicContact CB-CE2 3.76Å; F3-F5 HydrophobicContact CB-CZ 4.01Å; F5-I16 HydrophobicContact CB-CB 4.19Å; F5-I16 HydrophobicContact CD2-CG2 4.47Å; F5-I16 PolarHBondContact N-O 3.42Å; F5-I16 PolarHBondContact O-N 3.45Å; F5-I16 VanDerWaalsContact O-O 3.1Å; F5-M18 HydrophobicContact CE2-CG 3.86Å; F5-M18 HydrophobicContact CE2-SD 3.86Å; F5-M18 HydrophobicContact CZ-SD 4.23Å; F5-L73 HydrophobicContact CD2-CD2 3.79Å; F5-L73 HydrophobicContact CE1-CD1 4.34Å; F5-L73 HydrophobicContact CE2-CD2 3.89Å; F5-L73 HydrophobicContact CG-CD2 4.23Å; F5-L73 HydrophobicContact CZ-CD1 4.21Å; F5-L73 HydrophobicContact CZ-CD2 4.39Å; F5-L132 HydrophobicContact CD1-CB 4.42Å; F5-L132 WeakPolarHBondContact CD1-O 3.27Å; F5-K136 HydrophobicContact CD1-CB 3.9Å; F5-K136 HydrophobicContact CD1-CG 4.19Å; F5-K136 HydrophobicContact CE1-CB 3.65Å; F5-K136 HydrophobicContact CE1-CD 4.1Å; F5-K136 HydrophobicContact CE1-CG 3.59Å; F5-K136 HydrophobicContact CZ-CD 4.37Å; F5-K136 HydrophobicContact CZ-CG 4Å
6T90.1Very high86.9Confident57 Ų5742.1 Ų42.135%0.3525%0.253SS..EExtended strand (participates in β ladder)trans-117.4113.7178.7-560000109.1A8 P13 T135T6-A8 PolarHBondContact O-N 3.47Å; T6-P13 HydrophobicContact CG2-CB 3.83Å; T6-T135 PolarHBondContact N-OG1 2.89Å; T6-T135 VanDerWaalsContact N-OG1 3.09Å; T6-T135 PolarHBondContact O-OG1 3.02Å
7S88.2Confident87.2Confident0 Ų039.8 Ų39.80%024%0.239CC..EExtended strand (participates in β ladder)trans-86.4103.3172.5-175.80000109.1V9 P13 F14 D69S7-V9 VanDerWaalsContact C-N 3.28Å; S7-V9 WeakPolarHBondContact OG-CG2 3.28Å; S7-P13 WeakPolarHBondContact O-CA 3.44Å; S7-F14 PolarHBondContact N-O 3.2Å; S7-F14 PolarHBondContact O-N 3.05Å; S7-D69 PolarHBondContact OG-OD2 3.02Å
8A85.3Confident87.4Confident81 Ų8138.1 Ų38.167%0.66923%0.228SC*.  trans-92.223177.200000112.9T6 V10T6-A8 PolarHBondContact O-N 3.47Å; A8-V10 VanDerWaalsContact C-N 3.3Å
9V82.3Confident87.4Confident37 Ų3736.1 Ų36.122%0.22422%0.216CC..SBendtrans-74.1-28.8-179.2-170.30000111.7S7 E65 D69S7-V9 VanDerWaalsContact C-N 3.28Å; S7-V9 WeakPolarHBondContact OG-CG2 3.28Å; V9-E65 HydrophobicContact CB-CB 4.44Å; V9-E65 HydrophobicContact CG1-CB 3.66Å; V9-E65 HydrophobicContact CG1-CG 4.25Å; V9-E65 WeakPolarHBondContact CG1-OE1 3.43Å; V9-D69 VanDerWaalsContact CG2-OD2 3.23Å; V9-D69 WeakPolarHBondContact CG2-OD2 3.36Å
10V81.5Confident87.2Confident26 Ų2640.4 Ų40.416%0.15823%0.232CC..SBendtrans-126.1150.1179.4-64.90000108.7A8 P12 P13 F14 P63 V66A8-V10 VanDerWaalsContact C-N 3.3Å; V10-P12 CarbonylContact O-C 3.42Å; V10-P12 VanDerWaalsContact O-O 3.08Å; V10-P13 WeakPolarHBondContact O-CA 3.24Å; V10-F14 HydrophobicContact CG2-CD2 3.36Å; V10-F14 HydrophobicContact CG2-CE2 3.37Å; V10-P63 HydrophobicContact CB-CG 4.38Å; V10-P63 HydrophobicContact CG1-CB 3.98Å; V10-P63 HydrophobicContact CG1-CG 3.93Å; V10-P63 HydrophobicContact CG2-CG 3.93Å; V10-V66 HydrophobicContact CG1-CG2 4.36Å; V10-V66 HydrophobicContact CG2-CG2 3.4Å; V10-V66 VanDerWaalsContact CG2-CG2 3.4Å
11D78.7Confident87.1Confident157 Ų15741.3 Ų41.384%0.8424%0.236SC*.SBendtrans-105.3124.9174-171.2-103.6000109.1
12P83.5Confident86.9Confident84 Ų8445.1 Ų45.155%0.54525%0.252SS..SBendcis-73.4155.6031.1-36.1000113.5V10 F14V10-P12 CarbonylContact O-C 3.42Å; V10-P12 VanDerWaalsContact O-O 3.08Å; P12-F14 WeakPolarHBondContact O-CD2 3.39Å
13P86.4Confident86.7Confident71 Ų7151.9 Ų51.946%0.46128%0.279SS..PPolyproline II helixtrans-65.7147.3-179.627.9-35.3000111.7T6 S7 V10T6-P13 HydrophobicContact CG2-CB 3.83Å; S7-P13 WeakPolarHBondContact O-CA 3.44Å; V10-P13 WeakPolarHBondContact O-CA 3.24Å
14F88.9Confident86.4Confident13 Ų1353.1 Ų53.16%0.05728%0.284CS..EExtended strand (participates in β ladder)trans-100.9139.2178.3-76.6-101.5000111.5S7 V10 P12 L51 M53 P63 V66S7-F14 PolarHBondContact N-O 3.2Å; S7-F14 PolarHBondContact O-N 3.05Å; V10-F14 HydrophobicContact CG2-CD2 3.36Å; V10-F14 HydrophobicContact CG2-CE2 3.37Å; P12-F14 WeakPolarHBondContact O-CD2 3.39Å; F14-L51 HydrophobicContact CB-CD1 3.81Å; F14-L51 HydrophobicContact CD1-CD1 4.01Å; F14-L51 HydrophobicContact CD1-CG 4.44Å; F14-L51 HydrophobicContact CG-CD1 4.29Å; F14-M53 HydrophobicContact CD1-SD 4.29Å; F14-M53 HydrophobicContact CE1-CE 4.33Å; F14-M53 HydrophobicContact CE1-SD 3.8Å; F14-P63 HydrophobicContact CE2-CG 4.12Å; F14-P63 HydrophobicContact CZ-CG 4.34Å; F14-V66 HydrophobicContact CB-CG1 4.12Å; F14-V66 HydrophobicContact CD2-CG2 3.85Å; F14-V66 HydrophobicContact CE2-CG2 4.35Å; F14-V66 HydrophobicContact CG-CG1 4.16Å; F14-V66 HydrophobicContact CG-CG2 4.26Å
15T90.6Very high86Confident55 Ų5552 Ų5234%0.33728%0.281SS..EExtended strand (participates in β ladder)trans-91.6123.3175-51.60000109.9Y4 R52Y4-T15 HydrophobicContact CD1-CG2 3.92Å; T15-R52 PolarHBondContact O-N 3.48Å
16I92.6Very high85.6Confident0 Ų054.2 Ų54.20%029%0.291CS..EExtended strand (participates in β ladder)trans-112141.9174.5-60.1164.1000107.3Y4 F5 V49 Y50 L51 L73 L132Y4-I16 CarbonylContact C-O 3.6Å; Y4-I16 WeakPolarHBondContact CA-O 3.37Å; F5-I16 HydrophobicContact CB-CB 4.19Å; F5-I16 HydrophobicContact CD2-CG2 4.47Å; F5-I16 PolarHBondContact N-O 3.42Å; F5-I16 PolarHBondContact O-N 3.45Å; F5-I16 VanDerWaalsContact O-O 3.1Å; I16-V49 HydrophobicContact CG2-CG1 3.35Å; I16-Y50 CarbonylContact C-O 3.2Å; I16-Y50 VanDerWaalsContact CA-O 3.29Å; I16-Y50 WeakPolarHBondContact CA-O 3.03Å; I16-L51 HydrophobicContact CD1-CD1 4.49Å; I16-L51 HydrophobicContact CG1-CD1 3.64Å; I16-L73 HydrophobicContact CG2-CD2 3.82Å; I16-L132 HydrophobicContact CD1-CD2 4.34Å
17Y91.8Very high85.2Confident3 Ų354.8 Ų54.81%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-145.6156.8175.561.1-84.7000112.2V2 F3 Y4 L28 D36 Y50 R52V2-Y17 HydrophobicContact CG1-CD2 4.22Å; F3-Y17 CarbonylContact O-C 3.37Å; F3-Y17 WeakPolarHBondContact O-CA 3.29Å; F3-Y17 WeakPolarHBondContact O-CB 3.38Å; Y4-Y17 HydrophobicContact CD1-CG 4.45Å; Y4-Y17 HydrophobicContact CE1-CD1 4.41Å; Y4-Y17 HydrophobicContact CE1-CG 4.18Å; Y17-L28 HydrophobicContact CD2-CD1 4.42Å; Y17-L28 HydrophobicContact CD2-CD2 3.93Å; Y17-L28 HydrophobicContact CE2-CD2 3.82Å; Y17-D36 WeakPolarHBondContact OH-CB 3.44Å; Y17-D36 PolarHBondContact OH-OD2 3.31Å; Y17-Y50 HydrophobicContact CD2-CD2 4Å; Y17-Y50 HydrophobicContact CD2-CG 4.2Å; Y17-Y50 HydrophobicContact CE2-CD1 4.35Å; Y17-Y50 AromaticContact CE2-CD2 3.65Å; Y17-Y50 HydrophobicContact CE2-CD2 3.65Å; Y17-Y50 AromaticContact CE2-CG 3.52Å; Y17-Y50 HydrophobicContact CE2-CG 3.52Å; Y17-Y50 AromaticContact CZ-CG 3.78Å; Y17-Y50 PolarHBondContact N-O 3.47Å; Y17-Y50 PolarHBondContact O-N 2.95Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.48Å; Y17-R52 HydrophobicContact CE1-CB 4.24Å
18M90.9Very high85Confident9 Ų954.9 Ų54.94%0.04429%0.293CS..EExtended strand (participates in β ladder)trans-150.8150.6177.865.5-176.9-83.500111.3F3 F5 A47 H48 V49 N77F3-M18 HydrophobicContact CB-CG 3.97Å; F3-M18 HydrophobicContact CD2-CG 4.15Å; F3-M18 PolarHBondContact N-O 3.43Å; F3-M18 PolarHBondContact O-N 3.41Å; F5-M18 HydrophobicContact CE2-CG 3.86Å; F5-M18 HydrophobicContact CE2-SD 3.86Å; F5-M18 HydrophobicContact CZ-SD 4.23Å; M18-A47 HydrophobicContact CE-CB 3.37Å; M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.41Å; M18-V49 HydrophobicContact CB-CG2 4.17Å; M18-V49 HydrophobicContact SD-CG2 4.27Å; M18-N77 HydrophobicContact CE-CB 4.05Å
19G87Confident85Confident1 Ų151.8 Ų51.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-73.5147.8173.800000111.2D21 N25 L28G19-D21 VanDerWaalsContact C-N 3.27Å; G19-D21 PolarHBondContact O-N 3.04Å; G19-N25 VanDerWaalsContact CA-OD1 3.26Å; G19-N25 WeakPolarHBondContact CA-OD1 3.43Å; G19-N25 PolarHBondContact N-OD1 3.47Å; G19-L28 VanDerWaalsContact N-CD1 3.26Å
20K84.1Confident84.9Confident122 Ų12256.3 Ų56.353%0.5328%0.281SS..SBendtrans-62.9-37.6173.5-175.2-169.5-168.4168.90111.9M1 F3M1-K20 HydrophobicContact CB-CB 4.25Å; M1-K20 HydrophobicContact CB-CD 4.21Å; M1-K20 HydrophobicContact CE-CB 4.39Å; M1-K20 HydrophobicContact CE-CD 3.49Å; M1-K20 VanDerWaalsContact CE-CD 3.49Å; M1-K20 HydrophobicContact CE-CG 3.96Å; M1-K20 HydrophobicContact CG-CD 4.4Å; M1-K20 WeakPolarHBondContact O-CB 3.46Å; M1-K20 PolarHBondContact O-N 3.28Å; M1-K20 VanDerWaalsContact O-N 3.16Å; M1-K20 HydrophobicContact SD-CD 3.79Å; F3-K20 HydrophobicContact CE2-CB 3.99Å; F3-K20 HydrophobicContact CE2-CG 4.02Å; F3-K20 HydrophobicContact CZ-CB 4.34Å; F3-K20 HydrophobicContact CZ-CG 4.09Å
21D84.4Confident84.9Confident59 Ų5957.9 Ų57.932%0.31629%0.285SS..SBendtrans-148.4-179.7-174.871-95.5000111.6G19 Y23 E24 N25G19-D21 VanDerWaalsContact C-N 3.27Å; G19-D21 PolarHBondContact O-N 3.04Å; D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 3.44Å; D21-Y23 WeakPolarHBondContact OD2-CB 3.47Å; D21-Y23 WeakPolarHBondContact OD2-CD2 3.44Å; D21-Y23 PolarHBondContact OD2-N 2.91Å; D21-E24 PolarHBondContact O-N 3.03Å; D21-E24 WeakPolarHBondContact OD1-CG 3.29Å; D21-N25 PolarHBondContact O-N 3.35Å; D21-N25 PolarHBondContact O-ND2 3.13Å
22K80Confident84.9Confident106 Ų10650.5 Ų50.546%0.46125%0.246SC..Hα-helixtrans-63.8-29.5-174.767.3-178.7-179.7-178.60114.1E26 V105K22-E26 WeakPolarHBondContact O-CG 3.34Å; K22-E26 PolarHBondContact O-N 2.9Å; K22-V105 HydrophobicContact CB-CG1 3.96Å; K22-V105 HydrophobicContact CD-CB 4.36Å; K22-V105 HydrophobicContact CD-CG1 3.86Å; K22-V105 HydrophobicContact CG-CG1 3.74Å
23Y82Confident84.9Confident143 Ų14348.9 Ų48.956%0.56123%0.229SC*.Hα-helixtrans-73.2-46.8178.9-61.1-75.3000110.4D21 N25 E26 D27 V105D21-Y23 VanDerWaalsContact C-N 3.31Å; D21-Y23 PolarHBondContact O-N 3.44Å; D21-Y23 WeakPolarHBondContact OD2-CB 3.47Å; D21-Y23 WeakPolarHBondContact OD2-CD2 3.44Å; D21-Y23 PolarHBondContact OD2-N 2.91Å; Y23-N25 PolarHBondContact O-N 2.9Å; Y23-E26 WeakPolarHBondContact O-CB 3.44Å; Y23-E26 PolarHBondContact O-N 3.34Å; Y23-D27 PolarHBondContact O-N 2.78Å; Y23-V105 HydrophobicContact CD1-CG1 4.4Å
24E83.6Confident84.7Confident51 Ų5149.4 Ų49.424%0.23823%0.233CC..Hα-helixtrans-59.3-35.5174.1-61.2-68.6165.800111.9M1 D21 E26 D27 L28M1-E24 PolarHBondContact N-OE1 2.7Å; M1-E24 PolarHBondContact N-OE2 2.78Å; D21-E24 PolarHBondContact O-N 3.03Å; D21-E24 WeakPolarHBondContact OD1-CG 3.29Å; E24-E26 VanDerWaalsContact C-N 3.31Å; E24-E26 PolarHBondContact O-N 2.87Å; E24-D27 PolarHBondContact O-N 3.18Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.9Å
25N82.9Confident84.6Confident11 Ų1150.6 Ų50.66%0.05924%0.238CC..Hα-helixtrans-63.5-35.8174.5-70.7-25000112.3G19 D21 Y23 L28 I29G19-N25 VanDerWaalsContact CA-OD1 3.26Å; G19-N25 WeakPolarHBondContact CA-OD1 3.43Å; G19-N25 PolarHBondContact N-OD1 3.47Å; D21-N25 PolarHBondContact O-N 3.35Å; D21-N25 PolarHBondContact O-ND2 3.13Å; Y23-N25 PolarHBondContact O-N 2.9Å; N25-L28 PolarHBondContact O-N 3.37Å; N25-I29 WeakPolarHBondContact O-CD1 3.34Å; N25-I29 WeakPolarHBondContact O-CG1 3.38Å; N25-I29 PolarHBondContact O-N 3.48Å
26E82.2Confident84.5Confident53 Ų5348 Ų4825%0.24822%0.222CC..Hα-helixtrans-66.2-41.5176-65-77.6136.900111.1K22 Y23 E24 I29 K30 K99 V105 G106K22-E26 WeakPolarHBondContact O-CG 3.34Å; K22-E26 PolarHBondContact O-N 2.9Å; Y23-E26 WeakPolarHBondContact O-CB 3.44Å; Y23-E26 PolarHBondContact O-N 3.34Å; E24-E26 VanDerWaalsContact C-N 3.31Å; E24-E26 PolarHBondContact O-N 2.87Å; E26-I29 PolarHBondContact O-N 2.86Å; E26-K30 WeakPolarHBondContact O-CB 3.32Å; E26-K30 PolarHBondContact O-N 3.45Å; E26-K99 IonicContact OE1-NZ 3.79Å; E26-K99 PolarHBondContact OE1-NZ 2.89Å; E26-K99 VanDerWaalsContact OE2-CE 3.29Å; E26-K99 WeakPolarHBondContact OE2-CE 3.28Å; E26-K99 IonicContact OE2-NZ 2.8Å; E26-K99 PolarHBondContact OE2-NZ 2.84Å; E26-V105 HydrophobicContact CG-CG1 3.89Å; E26-G106 PolarHBondContact OE1-N 3.47Å
27D82.1Confident84.5Confident68 Ų6848.2 Ų48.236%0.36422%0.224SC..Hα-helixtrans-64.2-41.3174.5-75.2-61.3000111.8Y23 E24 I29 K30 Y31 L143Y23-D27 PolarHBondContact O-N 2.78Å; E24-D27 PolarHBondContact O-N 3.18Å; D27-I29 VanDerWaalsContact C-N 3.32Å; D27-I29 PolarHBondContact O-N 2.99Å; D27-K30 PolarHBondContact O-N 2.94Å; D27-K30 VanDerWaalsContact O-N 3.14Å; D27-Y31 HydrophobicContact CB-CD2 4.33Å; D27-Y31 HydrophobicContact CB-CE2 4.46Å; D27-Y31 WeakPolarHBondContact O-CD2 3.42Å; D27-Y31 PolarHBondContact O-N 3.47Å; D27-L143 HydrophobicContact CB-CD1 4.27Å
28L84.3Confident84.6Confident3 Ų348.3 Ų48.32%0.01622%0.224CC..Hα-helixtrans-63-36.9174.4-70.7172.2000112.3V2 Y17 G19 E24 N25 K30 G32 Y50 L143V2-L28 HydrophobicContact CG1-CD1 4.35Å; V2-L28 HydrophobicContact CG1-CD2 4.21Å; V2-L28 HydrophobicContact CG2-CD1 4.37Å; V2-L28 HydrophobicContact CG2-CD2 3.99Å; V2-L28 HydrophobicContact CG2-CG 4.39Å; Y17-L28 HydrophobicContact CD2-CD1 4.42Å; Y17-L28 HydrophobicContact CD2-CD2 3.93Å; Y17-L28 HydrophobicContact CE2-CD2 3.82Å; G19-L28 VanDerWaalsContact N-CD1 3.26Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.9Å; N25-L28 PolarHBondContact O-N 3.37Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-G32 VanDerWaalsContact O-CA 3.28Å; L28-G32 WeakPolarHBondContact O-CA 3.45Å; L28-G32 PolarHBondContact O-N 3.48Å; L28-Y50 HydrophobicContact CB-CE2 3.85Å; L28-Y50 HydrophobicContact CD1-CD2 4.28Å; L28-Y50 HydrophobicContact CD1-CE2 3.95Å; L28-L143 HydrophobicContact CD2-CD1 3.55Å; L28-L143 HydrophobicContact CD2-CD2 3.86Å; L28-L143 HydrophobicContact CD2-CG 4.37Å; L28-L143 HydrophobicContact CG-CD1 4.12Å
29I84.4Confident84.7Confident16 Ų1648 Ų488%0.08222%0.222CC..Hα-helixtrans-68.5-37.4174.4-65159.2000110.2N25 E26 D27 Y50 W94 I108N25-I29 WeakPolarHBondContact O-CD1 3.34Å; N25-I29 WeakPolarHBondContact O-CG1 3.38Å; N25-I29 PolarHBondContact O-N 3.48Å; E26-I29 PolarHBondContact O-N 2.86Å; D27-I29 VanDerWaalsContact C-N 3.32Å; D27-I29 PolarHBondContact O-N 2.99Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.47Å; I29-W94 WeakPolarHBondContact O-CZ2 3.26Å; I29-W94 PolarHBondContact O-NE1 2.82Å; I29-I108 HydrophobicContact CD1-CD1 3.38Å; I29-I108 HydrophobicContact CD1-CG1 3.75Å; I29-I108 HydrophobicContact CG1-CD1 4.15Å
30K81.3Confident85Confident131 Ų13149.5 Ų49.557%0.5723%0.229SC*.Hα-helixtrans-72.4-40.2-178.3-170.9178.5178.8-166.80112.7E26 D27 L28 K147E26-K30 WeakPolarHBondContact O-CB 3.32Å; E26-K30 PolarHBondContact O-N 3.45Å; D27-K30 PolarHBondContact O-N 2.94Å; D27-K30 VanDerWaalsContact O-N 3.14Å; L28-K30 VanDerWaalsContact C-N 3.34Å; K30-K147 PolarHBondContact O-NZ 3.4Å
31Y80.8Confident85.3Confident59 Ų5943.8 Ų43.823%0.23120%0.204CC..Hα-helixtrans-106.46.6-174.6-54.8-66.1000114.1D27 L143 A144 K147D27-Y31 HydrophobicContact CB-CD2 4.33Å; D27-Y31 HydrophobicContact CB-CE2 4.46Å; D27-Y31 WeakPolarHBondContact O-CD2 3.42Å; D27-Y31 PolarHBondContact O-N 3.47Å; Y31-L143 HydrophobicContact CD2-CB 4Å; Y31-L143 HydrophobicContact CG-CB 4.15Å; Y31-A144 HydrophobicContact CD1-CB 4.15Å; Y31-A144 HydrophobicContact CE1-CB 3.79Å; Y31-A144 HydrophobicContact CE2-CB 4.31Å; Y31-K147 HydrophobicContact CD1-CD 4.18Å
32G80.3Confident85.5Confident3 Ų343.5 Ų43.53%0.03120%0.203CC..  trans-59.5157.1173.900000112.9L28 W94 K147L28-G32 VanDerWaalsContact O-CA 3.28Å; L28-G32 WeakPolarHBondContact O-CA 3.45Å; L28-G32 PolarHBondContact O-N 3.48Å; G32-W94 WeakPolarHBondContact O-CZ2 3.41Å; G32-K147 PolarHBondContact O-NZ 2.89Å
33W82.8Confident85.7Confident50 Ų5047.4 Ų47.419%0.18922%0.22CC..  trans-91.8151.8179.6-59-5.8000110.4E35 D36 R52 W94W33-E35 PolarHBondContact O-N 3.49Å; W33-E35 VanDerWaalsContact O-N 3.13Å; W33-D36 WeakPolarHBondContact CA-OD2 3.19Å; W33-D36 WeakPolarHBondContact CB-OD2 3.38Å; W33-D36 PolarHBondContact N-OD2 3.07Å; W33-D36 WeakPolarHBondContact O-CB 3.38Å; W33-D36 PolarHBondContact O-N 3.3Å; W33-R52 VanDerWaalsContact CD2-NH2 3.34Å; W33-R52 HydrophobicContact CE3-CG 4.29Å; W33-R52 VanDerWaalsContact CZ3-CD 3.49Å; W33-R52 HydrophobicContact CZ3-CG 4.33Å; W33-W94 WeakPolarHBondContact O-CB 3.5Å
34P82.1Confident85.9Confident82 Ų8242 Ų4253%0.53220%0.2SC..THydrogen-bonded Turntrans-62.4-22.3179.324.9-34.8000113.7
35E85.8Confident86Confident37 Ų3743.2 Ų43.217%0.17322%0.215CC..THydrogen-bonded Turntrans-86-15.4-179.7-64.5163.4143.600112.3W33 M53 K55 R150W33-E35 PolarHBondContact O-N 3.49Å; W33-E35 VanDerWaalsContact O-N 3.13Å; E35-M53 HydrophobicContact CB-CB 4.42Å; E35-M53 VanDerWaalsContact O-CB 3.29Å; E35-M53 WeakPolarHBondContact O-CB 3.35Å; E35-M53 WeakPolarHBondContact O-CG 3.4Å; E35-K55 WeakPolarHBondContact OE1-CA 3.35Å; E35-K55 WeakPolarHBondContact OE1-CB 3.33Å; E35-K55 WeakPolarHBondContact OE1-CG 3.3Å; E35-R150 IonicContact OE1-NH2 2.98Å; E35-R150 IonicContact OE2-CZ 3.81Å; E35-R150 VanDerWaalsContact OE2-CZ 3.27Å; E35-R150 IonicContact OE2-NH1 2.72Å; E35-R150 PolarHBondContact OE2-NH1 2.93Å; E35-R150 IonicContact OE2-NH2 3.58Å; E35-R150 PolarHBondContact OE2-NH2 2.99Å
36D90.1Very high86.2Confident0 Ų043.4 Ų43.40%022%0.217CC..  trans-71.4139.5-177.8-62.7-34.1000109.9Y17 W33 L51 R52 W94Y17-D36 WeakPolarHBondContact OH-CB 3.44Å; Y17-D36 PolarHBondContact OH-OD2 3.31Å; W33-D36 WeakPolarHBondContact CA-OD2 3.19Å; W33-D36 WeakPolarHBondContact CB-OD2 3.38Å; W33-D36 PolarHBondContact N-OD2 3.07Å; W33-D36 WeakPolarHBondContact O-CB 3.38Å; W33-D36 PolarHBondContact O-N 3.3Å; D36-L51 WeakPolarHBondContact CA-O 3.47Å; D36-R52 WeakPolarHBondContact OD1-CA 3.36Å; D36-R52 IonicContact OD1-CZ 3.85Å; D36-R52 IonicContact OD1-NE 2.93Å; D36-R52 PolarHBondContact OD1-NE 2.91Å; D36-R52 IonicContact OD1-NH2 2.74Å; D36-R52 IonicContact OD2-CZ 3Å; D36-R52 IonicContact OD2-NE 3.9Å; D36-R52 IonicContact OD2-NH2 2.84Å; D36-R52 PolarHBondContact OD2-NH2 3.35Å; D36-W94 HydrophobicContact CB-CB 4.35Å; D36-W94 VanDerWaalsContact O-CB 3.22Å; D36-W94 WeakPolarHBondContact O-CB 3.28Å; D36-W94 PolarHBondContact O-N 2.94Å
37I91.8Very high86.4Confident6 Ų641.6 Ų41.63%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-105.5126177.5-53.1-63.2000108F39 Y50 L51 M53 I59 I62 Y91 A93I37-F39 HydrophobicContact CB-CE2 3.93Å; I37-F39 HydrophobicContact CG2-CD2 4.23Å; I37-F39 HydrophobicContact CG2-CE2 3.51Å; I37-F39 HydrophobicContact CG2-CZ 3.81Å; I37-F39 WeakPolarHBondContact O-CD2 3.25Å; I37-Y50 CarbonylContact O-C 3.57Å; I37-Y50 VanDerWaalsContact O-CA 3.26Å; I37-Y50 WeakPolarHBondContact O-CA 3.12Å; I37-L51 HydrophobicContact CB-CB 4.31Å; I37-L51 PolarHBondContact N-O 3.23Å; I37-L51 PolarHBondContact O-N 3.47Å; I37-M53 HydrophobicContact CD1-CG 4.42Å; I37-M53 HydrophobicContact CG1-CG 3.68Å; I37-M53 HydrophobicContact CG1-SD 4.47Å; I37-I59 HydrophobicContact CD1-CB 3.99Å; I37-I59 HydrophobicContact CD1-CD1 4.37Å; I37-I59 HydrophobicContact CD1-CG1 4.12Å; I37-I59 HydrophobicContact CG2-CD1 4.28Å; I37-I59 HydrophobicContact CG2-CG1 4.39Å; I37-I62 HydrophobicContact CB-CD1 4.48Å; I37-I62 HydrophobicContact CG1-CD1 3.99Å; I37-I62 HydrophobicContact CG2-CD1 4.21Å; I37-Y91 HydrophobicContact CG2-CD2 4.13Å; I37-A93 HydrophobicContact CD1-CB 4.19Å
38W93.1Very high86.8Confident5 Ų538.8 Ų38.82%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-95.3140.5179.7175.188.5000110.9H40 H48 Y50 V90 Y91 T92 L97 I108 F110W38-H40 HydrophobicContact CD2-CB 4.49Å; W38-H40 HydrophobicContact CE3-CB 4.27Å; W38-H40 HydrophobicContact CH2-CB 3.09Å; W38-H40 AromaticContact CH2-CG 3.65Å; W38-H40 HydrophobicContact CZ2-CB 3.29Å; W38-H40 AromaticContact CZ2-CG 3.75Å; W38-H40 HydrophobicContact CZ3-CB 3.6Å; W38-H48 AromaticContact CE2-CD2 3.58Å; W38-H48 AromaticContact CZ2-CD2 3.37Å; W38-H48 WeakPolarHBondContact CZ2-CD2 3.35Å; W38-H48 AromaticContact CZ2-NE2 3.57Å; W38-H48 AromaticContact NE1-CD2 3.31Å; W38-H48 PolarHBondContact NE1-CD2 3.2Å; W38-H48 VanDerWaalsContact NE1-CD2 3.31Å; W38-H48 AromaticContact NE1-CG 3.39Å; W38-Y50 HydrophobicContact CB-CD1 4.23Å; W38-Y50 HydrophobicContact CB-CE1 4.17Å; W38-Y50 AromaticContact CD1-CE1 3.4Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.4Å; W38-Y50 AromaticContact CD1-CZ 3.55Å; W38-Y50 HydrophobicContact CG-CE1 4.18Å; W38-V90 HydrophobicContact CH2-CG2 4.44Å; W38-V90 HydrophobicContact CZ3-CG2 3.97Å; W38-Y91 CarbonylContact O-C 3.5Å; W38-Y91 WeakPolarHBondContact O-CA 3.34Å; W38-Y91 WeakPolarHBondContact O-CB 3.33Å; W38-T92 HydrophobicContact CE3-CG2 3.9Å; W38-T92 HydrophobicContact CZ3-CG2 4.47Å; W38-T92 PolarHBondContact N-O 3.49Å; W38-T92 PolarHBondContact O-N 2.97Å; W38-L97 HydrophobicContact CB-CD1 3.81Å; W38-L97 HydrophobicContact CB-CD2 4.24Å; W38-L97 HydrophobicContact CB-CG 4.45Å; W38-L97 HydrophobicContact CD2-CD1 4.39Å; W38-L97 HydrophobicContact CD2-CD2 3.86Å; W38-L97 HydrophobicContact CE3-CD2 3.92Å; W38-L97 HydrophobicContact CG-CD1 3.79Å; W38-L97 HydrophobicContact CG-CD2 4.05Å; W38-L97 HydrophobicContact CZ3-CD2 4.48Å; W38-I108 HydrophobicContact CZ2-CD1 3.63Å; W38-F110 HydrophobicContact CE3-CE1 4.26Å; W38-F110 HydrophobicContact CH2-CE1 4.19Å; W38-F110 AromaticContact CH2-CZ 3.98Å; W38-F110 HydrophobicContact CH2-CZ 3.98Å; W38-F110 AromaticContact CZ3-CE1 3.68Å; W38-F110 HydrophobicContact CZ3-CE1 3.68Å; W38-F110 AromaticContact CZ3-CZ 3.68Å; W38-F110 HydrophobicContact CZ3-CZ 3.68Å
39F93.9Very high87.1Confident2 Ų238.6 Ų38.61%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-128.8142.7179.9-64.9-102.1000111.5I37 V49 L51 L67 C70 V74 V89 V90 Y91I37-F39 HydrophobicContact CB-CE2 3.93Å; I37-F39 HydrophobicContact CG2-CD2 4.23Å; I37-F39 HydrophobicContact CG2-CE2 3.51Å; I37-F39 HydrophobicContact CG2-CZ 3.81Å; I37-F39 WeakPolarHBondContact O-CD2 3.25Å; F39-V49 HydrophobicContact CB-CB 4.32Å; F39-V49 PolarHBondContact N-O 3.22Å; F39-V49 PolarHBondContact O-N 2.82Å; F39-L51 HydrophobicContact CE2-CB 3.72Å; F39-L51 HydrophobicContact CE2-CD2 4.37Å; F39-L51 HydrophobicContact CZ-CD2 4.47Å; F39-L67 HydrophobicContact CE1-CD1 3.6Å; F39-L67 HydrophobicContact CZ-CD1 3.89Å; F39-C70 HydrophobicContact CD1-CB 4.01Å; F39-C70 HydrophobicContact CD2-CB 4.26Å; F39-C70 HydrophobicContact CE1-CB 3.88Å; F39-C70 HydrophobicContact CE2-CB 4.12Å; F39-C70 HydrophobicContact CG-CB 4.23Å; F39-C70 HydrophobicContact CZ-CB 3.94Å; F39-V74 HydrophobicContact CB-CG2 3.65Å; F39-V89 HydrophobicContact CB-CG1 4.48Å; F39-V89 HydrophobicContact CD1-CG1 4.27Å; F39-V90 WeakPolarHBondContact CA-O 3.13Å; F39-Y91 HydrophobicContact CD1-CG 4.13Å; F39-Y91 HydrophobicContact CE1-CD1 4.4Å; F39-Y91 HydrophobicContact CE1-CD2 4.05Å; F39-Y91 AromaticContact CE1-CG 3.72Å; F39-Y91 HydrophobicContact CE1-CG 3.72Å; F39-Y91 HydrophobicContact CZ-CD2 4.23Å; F39-Y91 HydrophobicContact CZ-CG 4.31Å
40H92.4Very high87.5Confident33 Ų3337.9 Ų37.915%0.15319%0.191CC..EExtended strand (participates in β ladder)trans-158.8154.8177.2-177.1-98.9000111.1W38 L44 S46 H48 V89 V90W38-H40 HydrophobicContact CD2-CB 4.49Å; W38-H40 HydrophobicContact CE3-CB 4.27Å; W38-H40 HydrophobicContact CH2-CB 3.09Å; W38-H40 AromaticContact CH2-CG 3.65Å; W38-H40 HydrophobicContact CZ2-CB 3.29Å; W38-H40 AromaticContact CZ2-CG 3.75Å; W38-H40 HydrophobicContact CZ3-CB 3.6Å; H40-L44 PolarHBondContact CE1-O 2.93Å; H40-L44 PolarHBondContact NE2-O 3.01Å; H40-S46 PolarHBondContact CD2-OG 3.25Å; H40-S46 PolarHBondContact NE2-OG 3.36Å; H40-H48 AromaticContact CD2-CD2 3.38Å; H40-H48 PolarHBondContact CD2-CD2 2.88Å; H40-H48 AromaticContact CD2-NE2 3.49Å; H40-H48 PolarHBondContact CD2-NE2 2.79Å; H40-V89 CarbonylContact O-C 3.43Å; H40-V89 WeakPolarHBondContact O-CA 3.38Å; H40-V89 WeakPolarHBondContact O-CG1 3.43Å; H40-V90 HydrophobicContact CB-CG2 4.11Å; H40-V90 PolarHBondContact N-O 3.01Å; H40-V90 WeakPolarHBondContact O-CG2 3.42Å; H40-V90 PolarHBondContact O-N 3.13Å
41V91.4Very high88Confident1 Ų131.6 Ų31.61%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-76.4133.4173.7-172.30000110.6K43 L44 S46 V74 I87V41-K43 PolarHBondContact O-N 2.86Å; V41-L44 HydrophobicContact CB-CB 4.22Å; V41-L44 HydrophobicContact CG1-CB 3.92Å; V41-L44 HydrophobicContact CG1-CD1 3.88Å; V41-L44 HydrophobicContact CG1-CG 4.19Å; V41-S46 PolarHBondContact N-OG 3.48Å; V41-V74 HydrophobicContact CG2-CG1 3.6Å; V41-I87 HydrophobicContact CG1-CB 4.37Å; V41-I87 HydrophobicContact CG1-CG2 4.48Å
42D89.1Confident88.4Confident54 Ų5430.9 Ų30.929%0.28916%0.161SC..THydrogen-bonded Turntrans-58.8128.5174.9-173.5-124.9000110.8L44 N88 V90D42-L44 PolarHBondContact O-N 3.3Å; D42-N88 HydrophobicContact CB-CB 4.05Å; D42-N88 WeakPolarHBondContact CB-O 3.33Å; D42-N88 PolarHBondContact N-O 3.49Å; D42-V90 HydrophobicContact CB-CG1 4.23Å
43K83.5Confident88.7Confident187 Ų18731 Ų3181%0.81316%0.16SC*.THydrogen-bonded Turntrans59.75.2172.8-60.4164.1-171.6161.90117.1V41V41-K43 PolarHBondContact O-N 2.86Å
44L86.8Confident88.7Confident29 Ų2931.2 Ų31.215%0.15217%0.168CC..SBendtrans-118.5148.8-178.9-63.8-179.7000111H40 V41 D42 S46 Q80 M84 I87H40-L44 PolarHBondContact CE1-O 2.93Å; H40-L44 PolarHBondContact NE2-O 3.01Å; V41-L44 HydrophobicContact CB-CB 4.22Å; V41-L44 HydrophobicContact CG1-CB 3.92Å; V41-L44 HydrophobicContact CG1-CD1 3.88Å; V41-L44 HydrophobicContact CG1-CG 4.19Å; D42-L44 PolarHBondContact O-N 3.3Å; L44-S46 PolarHBondContact O-N 3.44Å; L44-S46 VanDerWaalsContact O-N 3.13Å; L44-Q80 HydrophobicContact CD2-CB 4.21Å; L44-M84 HydrophobicContact CD1-SD 3.84Å; L44-I87 HydrophobicContact CD1-CG2 4.07Å
45S85.1Confident88.5Confident78 Ų7833.1 Ų33.155%0.54517%0.168SC..  trans-67.6112.4171.6-170.40000109.3S78 I79S45-S78 PolarHBondContact O-OG 2.93Å; S45-S78 VanDerWaalsContact O-OG 3.05Å; S45-I79 PolarHBondContact O-N 2.89Å
46S86.2Confident88Confident15 Ų1534.9 Ų34.911%0.10520%0.196CC..BIsolated β-bridgetrans-140.9162.9179.665.20000112H40 V41 L44H40-S46 PolarHBondContact CD2-OG 3.25Å; H40-S46 PolarHBondContact NE2-OG 3.36Å; V41-S46 PolarHBondContact N-OG 3.48Å; L44-S46 PolarHBondContact O-N 3.44Å; L44-S46 VanDerWaalsContact O-N 3.13Å
47A88.1Confident87.4Confident15 Ų1539.1 Ų39.112%0.12421%0.214CC..  trans-65.5146.9171.800000111.7M18 N77M18-A47 HydrophobicContact CE-CB 3.37Å; A47-N77 HydrophobicContact CB-CB 3.7Å; A47-N77 PolarHBondContact N-O 2.88Å; A47-N77 VanDerWaalsContact N-O 3.13Å
48H89.1Confident86.9Confident8 Ų843 Ų434%0.03724%0.238CC..  trans-84.3113.1168.6-63.4143.6000109.3M18 W38 H40 Y50 G106 I108M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.41Å; W38-H48 AromaticContact CE2-CD2 3.58Å; W38-H48 AromaticContact CZ2-CD2 3.37Å; W38-H48 WeakPolarHBondContact CZ2-CD2 3.35Å; W38-H48 AromaticContact CZ2-NE2 3.57Å; W38-H48 AromaticContact NE1-CD2 3.31Å; W38-H48 PolarHBondContact NE1-CD2 3.2Å; W38-H48 VanDerWaalsContact NE1-CD2 3.31Å; W38-H48 AromaticContact NE1-CG 3.39Å; H40-H48 AromaticContact CD2-CD2 3.38Å; H40-H48 PolarHBondContact CD2-CD2 2.88Å; H40-H48 AromaticContact CD2-NE2 3.49Å; H40-H48 PolarHBondContact CD2-NE2 2.79Å; H48-Y50 HydrophobicContact CB-CE2 3.95Å; H48-G106 PolarHBondContact CE1-O 3.25Å; H48-I108 WeakPolarHBondContact CE1-CD1 3.37Å
49V91.5Very high86.4Confident0 Ų044.1 Ų44.10%024%0.244CC..EExtended strand (participates in β ladder)trans-104.9138.7176.1179.30000108.4I16 M18 F39 L73 V74I16-V49 HydrophobicContact CG2-CG1 3.35Å; M18-V49 HydrophobicContact CB-CG2 4.17Å; M18-V49 HydrophobicContact SD-CG2 4.27Å; F39-V49 HydrophobicContact CB-CB 4.32Å; F39-V49 PolarHBondContact N-O 3.22Å; F39-V49 PolarHBondContact O-N 2.82Å; V49-L73 HydrophobicContact CG1-CD2 4.05Å; V49-L73 HydrophobicContact CG2-CD2 4.36Å; V49-L73 HydrophobicContact CG2-CG 4.42Å; V49-V74 HydrophobicContact CB-CG2 3.53Å; V49-V74 HydrophobicContact CG1-CG2 4.35Å; V49-V74 HydrophobicContact CG2-CB 4.32Å; V49-V74 HydrophobicContact CG2-CG2 3.41Å; V49-V74 VanDerWaalsContact CG2-CG2 3.41Å
50Y91.9Very high85.9Confident0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-120.4137.7179.1-60-93.3000109.7I16 Y17 L28 I29 I37 W38 H48I16-Y50 CarbonylContact C-O 3.2Å; I16-Y50 VanDerWaalsContact CA-O 3.29Å; I16-Y50 WeakPolarHBondContact CA-O 3.03Å; Y17-Y50 HydrophobicContact CD2-CD2 4Å; Y17-Y50 HydrophobicContact CD2-CG 4.2Å; Y17-Y50 HydrophobicContact CE2-CD1 4.35Å; Y17-Y50 AromaticContact CE2-CD2 3.65Å; Y17-Y50 HydrophobicContact CE2-CD2 3.65Å; Y17-Y50 AromaticContact CE2-CG 3.52Å; Y17-Y50 HydrophobicContact CE2-CG 3.52Å; Y17-Y50 AromaticContact CZ-CG 3.78Å; Y17-Y50 PolarHBondContact N-O 3.47Å; Y17-Y50 PolarHBondContact O-N 2.95Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.48Å; L28-Y50 HydrophobicContact CB-CE2 3.85Å; L28-Y50 HydrophobicContact CD1-CD2 4.28Å; L28-Y50 HydrophobicContact CD1-CE2 3.95Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.47Å; I37-Y50 CarbonylContact O-C 3.57Å; I37-Y50 VanDerWaalsContact O-CA 3.26Å; I37-Y50 WeakPolarHBondContact O-CA 3.12Å; W38-Y50 HydrophobicContact CB-CD1 4.23Å; W38-Y50 HydrophobicContact CB-CE1 4.17Å; W38-Y50 AromaticContact CD1-CE1 3.4Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.4Å; W38-Y50 AromaticContact CD1-CZ 3.55Å; W38-Y50 HydrophobicContact CG-CE1 4.18Å; H48-Y50 HydrophobicContact CB-CE2 3.95Å
51L91.7Very high85.6Confident0 Ų052.1 Ų52.10%029%0.289CS..EExtended strand (participates in β ladder)trans-109.6124172.3176.770.4000108.5F14 I16 D36 I37 F39 M53 I62 V66F14-L51 HydrophobicContact CB-CD1 3.81Å; F14-L51 HydrophobicContact CD1-CD1 4.01Å; F14-L51 HydrophobicContact CD1-CG 4.44Å; F14-L51 HydrophobicContact CG-CD1 4.29Å; I16-L51 HydrophobicContact CD1-CD1 4.49Å; I16-L51 HydrophobicContact CG1-CD1 3.64Å; D36-L51 WeakPolarHBondContact CA-O 3.47Å; I37-L51 HydrophobicContact CB-CB 4.31Å; I37-L51 PolarHBondContact N-O 3.23Å; I37-L51 PolarHBondContact O-N 3.47Å; F39-L51 HydrophobicContact CE2-CB 3.72Å; F39-L51 HydrophobicContact CE2-CD2 4.37Å; F39-L51 HydrophobicContact CZ-CD2 4.47Å; L51-M53 HydrophobicContact CD2-SD 3.84Å; L51-M53 HydrophobicContact CG-SD 4.27Å; L51-M53 PolarHBondContact O-N 2.83Å; L51-I62 HydrophobicContact CD2-CD1 4.19Å; L51-I62 HydrophobicContact CD2-CG1 4.42Å; L51-I62 HydrophobicContact CD2-CG2 3.92Å; L51-V66 HydrophobicContact CD1-CG1 3.69Å; L51-V66 HydrophobicContact CD2-CG1 3.93Å; L51-V66 HydrophobicContact CG-CG1 4.49Å
52R89.1Confident85.3Confident44 Ų4452.9 Ų52.917%0.16629%0.292CS..EExtended strand (participates in β ladder)trans-82.9112.4175.3-175.2143.2-72.7178.50.1110.3T15 Y17 W33 D36T15-R52 PolarHBondContact O-N 3.48Å; Y17-R52 HydrophobicContact CE1-CB 4.24Å; W33-R52 VanDerWaalsContact CD2-NH2 3.34Å; W33-R52 HydrophobicContact CE3-CG 4.29Å; W33-R52 VanDerWaalsContact CZ3-CD 3.49Å; W33-R52 HydrophobicContact CZ3-CG 4.33Å; D36-R52 WeakPolarHBondContact OD1-CA 3.36Å; D36-R52 IonicContact OD1-CZ 3.85Å; D36-R52 IonicContact OD1-NE 2.93Å; D36-R52 PolarHBondContact OD1-NE 2.91Å; D36-R52 IonicContact OD1-NH2 2.74Å; D36-R52 IonicContact OD2-CZ 3Å; D36-R52 IonicContact OD2-NE 3.9Å; D36-R52 IonicContact OD2-NH2 2.84Å; D36-R52 PolarHBondContact OD2-NH2 3.35Å
53M87.6Confident85.3Confident4 Ų451.7 Ų51.72%0.0229%0.288CS..PPolyproline II helixtrans-86145.5175.5-64.7-66.1-71.200111.1F14 E35 I37 L51 K57 I62F14-M53 HydrophobicContact CD1-SD 4.29Å; F14-M53 HydrophobicContact CE1-CE 4.33Å; F14-M53 HydrophobicContact CE1-SD 3.8Å; E35-M53 HydrophobicContact CB-CB 4.42Å; E35-M53 VanDerWaalsContact O-CB 3.29Å; E35-M53 WeakPolarHBondContact O-CB 3.35Å; E35-M53 WeakPolarHBondContact O-CG 3.4Å; I37-M53 HydrophobicContact CD1-CG 4.42Å; I37-M53 HydrophobicContact CG1-CG 3.68Å; I37-M53 HydrophobicContact CG1-SD 4.47Å; L51-M53 HydrophobicContact CD2-SD 3.84Å; L51-M53 HydrophobicContact CG-SD 4.27Å; L51-M53 PolarHBondContact O-N 2.83Å; M53-K57 HydrophobicContact CE-CB 3.69Å; M53-K57 HydrophobicContact CE-CD 4.3Å; M53-I62 HydrophobicContact CE-CG1 3.72Å; M53-I62 HydrophobicContact SD-CD1 4.4Å; M53-I62 HydrophobicContact SD-CG1 3.8Å
54P82.4Confident85.6Confident56 Ų5647.3 Ų47.336%0.36428%0.279SS..PPolyproline II helixtrans-69.6156.6171.132-36.3000110.7G56 K57P54-G56 PolarHBondContact O-N 3.49Å; P54-K57 HydrophobicContact CG-CB 4.31Å; P54-K57 HydrophobicContact CG-CD 3.49Å; P54-K57 VanDerWaalsContact CG-CD 3.49Å; P54-K57 HydrophobicContact CG-CG 3.86Å; P54-K57 PolarHBondContact O-N 3.27Å
55K77.3Confident85.7Confident122 Ų12251 Ų5153%0.5330%0.295SS..THydrogen-bonded Turntrans-60.3130-170.4-58.8-169.3-177.2-1760112.6E35E35-K55 WeakPolarHBondContact OE1-CA 3.35Å; E35-K55 WeakPolarHBondContact OE1-CB 3.33Å; E35-K55 WeakPolarHBondContact OE1-CG 3.3Å
56G75.5Confident85.9Confident73 Ų7347.3 Ų47.375%0.75327%0.269SS*.THydrogen-bonded Turntrans84.8-0.4177.400000116.4P54P54-G56 PolarHBondContact O-N 3.49Å
57K79.1Confident86.2Confident89 Ų8947.7 Ų47.739%0.38727%0.27SS..  trans-85.4151.4170.2-69.3-162174.4-149.70111.6M53 P54 D61M53-K57 HydrophobicContact CE-CB 3.69Å; M53-K57 HydrophobicContact CE-CD 4.3Å; P54-K57 HydrophobicContact CG-CB 4.31Å; P54-K57 HydrophobicContact CG-CD 3.49Å; P54-K57 VanDerWaalsContact CG-CD 3.49Å; P54-K57 HydrophobicContact CG-CG 3.86Å; P54-K57 PolarHBondContact O-N 3.27Å; K57-D61 HydrophobicContact CB-CB 4.43Å; K57-D61 HydrophobicContact CD-CB 4.41Å; K57-D61 WeakPolarHBondContact CD-OD1 3.33Å; K57-D61 WeakPolarHBondContact CE-OD1 3.5Å; K57-D61 IonicContact NZ-OD1 3.27Å; K57-D61 PolarHBondContact NZ-OD1 2.72Å
58T80.9Confident86.3Confident87 Ų8749.7 Ų49.753%0.53428%0.28SS..  trans-111.6169.5179.363.80000111.2D60 D61T58-D60 PolarHBondContact O-N 2.91Å; T58-D60 VanDerWaalsContact O-N 3.08Å; T58-D61 PolarHBondContact O-N 2.82Å
59I82.4Confident86.5Confident29 Ų2949.5 Ų49.515%0.14928%0.279CS..THydrogen-bonded Turntrans-57.9-19.3177.9-166.7168.9000113.9I37 I62 Y91 K117I37-I59 HydrophobicContact CD1-CB 3.99Å; I37-I59 HydrophobicContact CD1-CD1 4.37Å; I37-I59 HydrophobicContact CD1-CG1 4.12Å; I37-I59 HydrophobicContact CG2-CD1 4.28Å; I37-I59 HydrophobicContact CG2-CG1 4.39Å; I59-I62 HydrophobicContact CG1-CD1 3.99Å; I59-I62 WeakPolarHBondContact O-CD1 3.09Å; I59-I62 WeakPolarHBondContact O-CG1 3.34Å; I59-Y91 HydrophobicContact CD1-CD2 3.63Å; I59-Y91 HydrophobicContact CD1-CE2 3.83Å; I59-Y91 HydrophobicContact CG1-CD2 3.82Å; I59-Y91 HydrophobicContact CG1-CE2 3.66Å; I59-K117 HydrophobicContact CD1-CD 4.4Å; I59-K117 HydrophobicContact CG1-CD 4.48Å
60D82.9Confident86.5Confident121 Ų12149.5 Ų49.565%0.64728%0.279SS*.THydrogen-bonded Turntrans-83.4-19.9176.8-72.4-87.1000113.1T58 I62 K117T58-D60 PolarHBondContact O-N 2.91Å; T58-D60 VanDerWaalsContact O-N 3.08Å; D60-I62 VanDerWaalsContact C-N 3.29Å; D60-K117 IonicContact OD1-NZ 3.22Å; D60-K117 PolarHBondContact OD1-NZ 3.5Å; D60-K117 IonicContact OD2-NZ 3.62Å; D60-K117 PolarHBondContact OD2-NZ 3.33Å
61D85.8Confident86.5Confident83 Ų8349.5 Ų49.544%0.44428%0.28SS..SBendtrans-89.24.9-180-155.5-108.5000112.7K57 T58 P63K57-D61 HydrophobicContact CB-CB 4.43Å; K57-D61 HydrophobicContact CD-CB 4.41Å; K57-D61 WeakPolarHBondContact CD-OD1 3.33Å; K57-D61 WeakPolarHBondContact CE-OD1 3.5Å; K57-D61 IonicContact NZ-OD1 3.27Å; K57-D61 PolarHBondContact NZ-OD1 2.72Å; T58-D61 PolarHBondContact O-N 2.82Å; D61-P63 WeakPolarHBondContact O-CD 3.21Å
62I86.2Confident86.5Confident16 Ų1649.8 Ų49.88%0.08228%0.281CS..SBendtrans-71.9120.9178.5-53.9172.9000108.2I37 L51 M53 I59 D60 V66 L67I37-I62 HydrophobicContact CB-CD1 4.48Å; I37-I62 HydrophobicContact CG1-CD1 3.99Å; I37-I62 HydrophobicContact CG2-CD1 4.21Å; L51-I62 HydrophobicContact CD2-CD1 4.19Å; L51-I62 HydrophobicContact CD2-CG1 4.42Å; L51-I62 HydrophobicContact CD2-CG2 3.92Å; M53-I62 HydrophobicContact CE-CG1 3.72Å; M53-I62 HydrophobicContact SD-CD1 4.4Å; M53-I62 HydrophobicContact SD-CG1 3.8Å; I59-I62 HydrophobicContact CG1-CD1 3.99Å; I59-I62 WeakPolarHBondContact O-CD1 3.09Å; I59-I62 WeakPolarHBondContact O-CG1 3.34Å; D60-I62 VanDerWaalsContact C-N 3.29Å; I62-V66 HydrophobicContact CG2-CB 4.41Å; I62-V66 HydrophobicContact CG2-CG1 4.44Å; I62-L67 HydrophobicContact CG2-CB 4.28Å; I62-L67 HydrophobicContact CG2-CD1 4.37Å
63P88.8Confident86.6Confident29 Ų2947.8 Ų47.819%0.18827%0.274CS..  trans-62.8139.4176.421.2-27.2000110V10 F14 D61 E65 V66 L67V10-P63 HydrophobicContact CB-CG 4.38Å; V10-P63 HydrophobicContact CG1-CB 3.98Å; V10-P63 HydrophobicContact CG1-CG 3.93Å; V10-P63 HydrophobicContact CG2-CG 3.93Å; F14-P63 HydrophobicContact CE2-CG 4.12Å; F14-P63 HydrophobicContact CZ-CG 4.34Å; D61-P63 WeakPolarHBondContact O-CD 3.21Å; P63-E65 PolarHBondContact O-N 2.82Å; P63-E65 VanDerWaalsContact O-N 3.09Å; P63-V66 HydrophobicContact CG-CB 4.05Å; P63-V66 HydrophobicContact CG-CG2 3.73Å; P63-V66 PolarHBondContact O-N 2.96Å; P63-V66 VanDerWaalsContact O-N 3.08Å; P63-L67 PolarHBondContact O-N 3.29Å; P63-L67 VanDerWaalsContact O-N 3.11Å
64P88.3Confident86.8Confident96 Ų9647.6 Ų47.662%0.62327%0.273SS*.Hα-helixtrans-59.8-28.6-174.323.9-34.1000112.3L67 V68P64-L67 WeakPolarHBondContact O-CB 3.42Å; P64-L67 PolarHBondContact O-N 3.36Å; P64-V68 VanDerWaalsContact O-CG2 3.29Å; P64-V68 WeakPolarHBondContact O-CG2 3.34Å; P64-V68 PolarHBondContact O-N 3.2Å
65E89.6Confident87.2Confident106 Ų10645 Ų4550%0.49526%0.255SS..Hα-helixtrans-65.2-45177.2-59.7-175.993.100112.5V9 P63 L67 V68 D69V9-E65 HydrophobicContact CB-CB 4.44Å; V9-E65 HydrophobicContact CG1-CB 3.66Å; V9-E65 HydrophobicContact CG1-CG 4.25Å; V9-E65 WeakPolarHBondContact CG1-OE1 3.43Å; P63-E65 PolarHBondContact O-N 2.82Å; P63-E65 VanDerWaalsContact O-N 3.09Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.78Å; E65-V68 PolarHBondContact O-N 2.8Å; E65-D69 PolarHBondContact O-N 3.32Å
66V90.4Very high87.8Confident0 Ų040.8 Ų40.80%024%0.239CC..Hα-helixtrans-67.7-35.5175.6175.40000110.7V10 F14 L51 I62 P63 V68 D69 C70V10-V66 HydrophobicContact CG1-CG2 4.36Å; V10-V66 HydrophobicContact CG2-CG2 3.4Å; V10-V66 VanDerWaalsContact CG2-CG2 3.4Å; F14-V66 HydrophobicContact CB-CG1 4.12Å; F14-V66 HydrophobicContact CD2-CG2 3.85Å; F14-V66 HydrophobicContact CE2-CG2 4.35Å; F14-V66 HydrophobicContact CG-CG1 4.16Å; F14-V66 HydrophobicContact CG-CG2 4.26Å; L51-V66 HydrophobicContact CD1-CG1 3.69Å; L51-V66 HydrophobicContact CD2-CG1 3.93Å; L51-V66 HydrophobicContact CG-CG1 4.49Å; I62-V66 HydrophobicContact CG2-CB 4.41Å; I62-V66 HydrophobicContact CG2-CG1 4.44Å; P63-V66 HydrophobicContact CG-CB 4.05Å; P63-V66 HydrophobicContact CG-CG2 3.73Å; P63-V66 PolarHBondContact O-N 2.96Å; P63-V66 VanDerWaalsContact O-N 3.08Å; V66-V68 VanDerWaalsContact C-N 3.35Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-N 3.46Å; V66-C70 PolarHBondContact O-SG 2.95Å
67L91.2Very high88.4Confident24 Ų2440.2 Ų40.213%0.12622%0.219CC..Hα-helixtrans-61.9-43.8175.3-167.172.7000111.4F39 I62 P63 P64 E65 C70 A71 Y91 V119F39-L67 HydrophobicContact CE1-CD1 3.6Å; F39-L67 HydrophobicContact CZ-CD1 3.89Å; I62-L67 HydrophobicContact CG2-CB 4.28Å; I62-L67 HydrophobicContact CG2-CD1 4.37Å; P63-L67 PolarHBondContact O-N 3.29Å; P63-L67 VanDerWaalsContact O-N 3.11Å; P64-L67 WeakPolarHBondContact O-CB 3.42Å; P64-L67 PolarHBondContact O-N 3.36Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.78Å; L67-C70 PolarHBondContact O-N 2.84Å; L67-A71 WeakPolarHBondContact O-CB 3.29Å; L67-A71 PolarHBondContact O-N 2.63Å; L67-Y91 HydrophobicContact CD1-CD1 4.43Å; L67-Y91 HydrophobicContact CD1-CD2 3.97Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; L67-Y91 HydrophobicContact CD1-CE2 3.71Å; L67-Y91 HydrophobicContact CD1-CG 4.33Å; L67-V119 HydrophobicContact CD1-CG2 4.4Å; L67-V119 HydrophobicContact CD2-CG2 3.44Å; L67-V119 VanDerWaalsContact CD2-CG2 3.44Å; L67-V119 HydrophobicContact CG-CG2 3.91Å
68V91.4Very high88.8Confident57 Ų5736.2 Ų36.235%0.34520%0.202SC..Hα-helixtrans-64.5-42.8174.9172.40000110.8P64 E65 V66 C70 A71 Q72 I128P64-V68 VanDerWaalsContact O-CG2 3.29Å; P64-V68 WeakPolarHBondContact O-CG2 3.34Å; P64-V68 PolarHBondContact O-N 3.2Å; E65-V68 PolarHBondContact O-N 2.8Å; V66-V68 VanDerWaalsContact C-N 3.35Å; V68-C70 PolarHBondContact O-N 3.08Å; V68-A71 PolarHBondContact O-N 2.98Å; V68-Q72 HydrophobicContact CG1-CG 4.05Å; V68-Q72 WeakPolarHBondContact O-CB 3.45Å; V68-Q72 WeakPolarHBondContact O-CG 3.22Å; V68-Q72 PolarHBondContact O-N 3.25Å; V68-I128 HydrophobicContact CG1-CD1 3.86Å
69D91.7Very high89Confident3 Ų338.3 Ų38.32%0.01621%0.208CC..Hα-helixtrans-56.1-49.3175.5-85.215.2000111.9S7 V9 E65 V66 Q72 L73 I128 R131 L132S7-D69 PolarHBondContact OG-OD2 3.02Å; V9-D69 VanDerWaalsContact CG2-OD2 3.23Å; V9-D69 WeakPolarHBondContact CG2-OD2 3.36Å; E65-D69 PolarHBondContact O-N 3.32Å; V66-D69 WeakPolarHBondContact O-CB 3.38Å; V66-D69 PolarHBondContact O-N 2.94Å; D69-Q72 PolarHBondContact O-N 3.05Å; D69-L73 WeakPolarHBondContact O-CB 3.41Å; D69-L73 PolarHBondContact O-N 2.91Å; D69-I128 HydrophobicContact CB-CG2 4.32Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.29Å; D69-R131 IonicContact OD1-NH2 3.5Å; D69-R131 PolarHBondContact OD1-NH2 3.01Å; D69-R131 IonicContact OD2-CZ 3.61Å; D69-R131 IonicContact OD2-NH2 3.31Å; D69-R131 PolarHBondContact OD2-NH2 3.32Å; D69-L132 HydrophobicContact CB-CD1 3.99Å; D69-L132 HydrophobicContact CB-CD2 4.48Å
70C91.8Very high89Confident0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-61.2-46.8176.9-64.10000111.1F39 V66 L67 V68 Q72 L73 V74F39-C70 HydrophobicContact CD1-CB 4.01Å; F39-C70 HydrophobicContact CD2-CB 4.26Å; F39-C70 HydrophobicContact CE1-CB 3.88Å; F39-C70 HydrophobicContact CE2-CB 4.12Å; F39-C70 HydrophobicContact CG-CB 4.23Å; F39-C70 HydrophobicContact CZ-CB 3.94Å; V66-C70 PolarHBondContact O-N 3.46Å; V66-C70 PolarHBondContact O-SG 2.95Å; L67-C70 PolarHBondContact O-N 2.84Å; V68-C70 PolarHBondContact O-N 3.08Å; C70-Q72 PolarHBondContact O-N 3.5Å; C70-L73 PolarHBondContact O-N 3.26Å; C70-V74 WeakPolarHBondContact O-CG2 3.38Å; C70-V74 PolarHBondContact O-N 3.21Å
71A92Very high88.9Confident1 Ų136.5 Ų36.51%0.00820%0.195CC..Hα-helixtrans-65.1-38.5-178.100000112.5L67 V68 K75 V89 V119 V121L67-A71 WeakPolarHBondContact O-CB 3.29Å; L67-A71 PolarHBondContact O-N 2.63Å; V68-A71 PolarHBondContact O-N 2.98Å; A71-K75 VanDerWaalsContact O-CB 3.28Å; A71-K75 WeakPolarHBondContact O-CB 3.17Å; A71-K75 PolarHBondContact O-N 2.84Å; A71-V89 HydrophobicContact CB-CB 4.27Å; A71-V89 HydrophobicContact CB-CG1 4.34Å; A71-V89 HydrophobicContact CB-CG2 4.11Å; A71-V119 HydrophobicContact CB-CG1 4.4Å; A71-V121 HydrophobicContact CB-CG2 3.61Å
72Q91.6Very high88.8Confident6 Ų634.3 Ų34.33%0.02819%0.187CC..Hα-helixtrans-67-39.1174.6-69.7-66.9-20.300111.7V68 D69 C70 K75 N76 V121 K123 I128 V129V68-Q72 HydrophobicContact CG1-CG 4.05Å; V68-Q72 WeakPolarHBondContact O-CB 3.45Å; V68-Q72 WeakPolarHBondContact O-CG 3.22Å; V68-Q72 PolarHBondContact O-N 3.25Å; D69-Q72 PolarHBondContact O-N 3.05Å; C70-Q72 PolarHBondContact O-N 3.5Å; Q72-K75 PolarHBondContact O-N 2.81Å; Q72-N76 WeakPolarHBondContact O-CB 3.45Å; Q72-N76 PolarHBondContact O-N 3Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.27Å; Q72-K123 PolarHBondContact NE2-O 2.93Å; Q72-I128 HydrophobicContact CB-CG2 4.05Å; Q72-I128 HydrophobicContact CG-CD1 4.35Å; Q72-I128 HydrophobicContact CG-CG2 4.3Å; Q72-V129 HydrophobicContact CB-CG2 4.26Å
73L91.7Very high88.7Confident1 Ų142.4 Ų42.41%0.00522%0.221CC..Hα-helixtrans-65-45176.9-174.464.7000111.7F5 I16 V49 D69 C70 N76 N77 L132F5-L73 HydrophobicContact CD2-CD2 3.79Å; F5-L73 HydrophobicContact CE1-CD1 4.34Å; F5-L73 HydrophobicContact CE2-CD2 3.89Å; F5-L73 HydrophobicContact CG-CD2 4.23Å; F5-L73 HydrophobicContact CZ-CD1 4.21Å; F5-L73 HydrophobicContact CZ-CD2 4.39Å; I16-L73 HydrophobicContact CG2-CD2 3.82Å; V49-L73 HydrophobicContact CG1-CD2 4.05Å; V49-L73 HydrophobicContact CG2-CD2 4.36Å; V49-L73 HydrophobicContact CG2-CG 4.42Å; D69-L73 WeakPolarHBondContact O-CB 3.41Å; D69-L73 PolarHBondContact O-N 2.91Å; C70-L73 PolarHBondContact O-N 3.26Å; L73-N76 PolarHBondContact O-N 3.05Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.49Å; L73-N77 PolarHBondContact O-N 3.24Å; L73-N77 PolarHBondContact O-ND2 2.85Å; L73-L132 HydrophobicContact CB-CD1 4.2Å
74V91.6Very high88.5Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-62.6-44.3176.2179.60000110.6F39 V41 V49 C70 N76 N77 S78 V89F39-V74 HydrophobicContact CB-CG2 3.65Å; V41-V74 HydrophobicContact CG2-CG1 3.6Å; V49-V74 HydrophobicContact CB-CG2 3.53Å; V49-V74 HydrophobicContact CG1-CG2 4.35Å; V49-V74 HydrophobicContact CG2-CB 4.32Å; V49-V74 HydrophobicContact CG2-CG2 3.41Å; V49-V74 VanDerWaalsContact CG2-CG2 3.41Å; C70-V74 WeakPolarHBondContact O-CG2 3.38Å; C70-V74 PolarHBondContact O-N 3.21Å; V74-N76 PolarHBondContact O-N 3.34Å; V74-N77 CarbonylContact O-C 3.59Å; V74-N77 PolarHBondContact O-N 3.25Å; V74-S78 PolarHBondContact O-N 2.92Å; V74-S78 VanDerWaalsContact O-N 3.16Å; V74-V89 HydrophobicContact CG1-CG1 4.43Å
75K90.2Very high88.5Confident1 Ų146 Ų460%0.00423%0.232CC..Hα-helixtrans-58.2-45.8174.9172.3163.5-165.9155.80111.9A71 Q72 N77 S78 C82 M84 I87 V121 E122 K124A71-K75 VanDerWaalsContact O-CB 3.28Å; A71-K75 WeakPolarHBondContact O-CB 3.17Å; A71-K75 PolarHBondContact O-N 2.84Å; Q72-K75 PolarHBondContact O-N 2.81Å; K75-N77 VanDerWaalsContact C-N 3.31Å; K75-N77 PolarHBondContact O-N 3.36Å; K75-S78 PolarHBondContact O-N 3.04Å; K75-C82 VanDerWaalsContact O-CA 3.31Å; K75-C82 WeakPolarHBondContact O-CA 3.38Å; K75-C82 PolarHBondContact O-N 2.93Å; K75-M84 VanDerWaalsContact CE-O 3.25Å; K75-M84 WeakPolarHBondContact CE-O 3.37Å; K75-M84 PolarHBondContact NZ-O 3.4Å; K75-I87 HydrophobicContact CB-CD1 3.8Å; K75-I87 HydrophobicContact CD-CD1 3.34Å; K75-I87 HydrophobicContact CD-CG1 3.89Å; K75-I87 HydrophobicContact CG-CD1 3.39Å; K75-I87 HydrophobicContact CG-CG1 4.45Å; K75-V121 HydrophobicContact CD-CB 4.45Å; K75-V121 HydrophobicContact CD-CG1 3.74Å; K75-V121 PolarHBondContact NZ-O 2.74Å; K75-E122 PolarHBondContact NZ-O 2.84Å; K75-K124 HydrophobicContact CD-CB 4.44Å
76N90.6Very high88.3Confident35 Ų3546.3 Ų46.319%0.18724%0.237CC..Hα-helixtrans-63.2-38.9178.9-172.562.2000112Q72 L73 V74 S78 K124 V129Q72-N76 WeakPolarHBondContact O-CB 3.45Å; Q72-N76 PolarHBondContact O-N 3Å; L73-N76 PolarHBondContact O-N 3.05Å; V74-N76 PolarHBondContact O-N 3.34Å; N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 3.09Å; N76-K124 WeakPolarHBondContact OD1-CE 3.3Å; N76-K124 PolarHBondContact OD1-NZ 3.39Å; N76-V129 HydrophobicContact CB-CG1 4.05Å; N76-V129 HydrophobicContact CB-CG2 3.99Å; N76-V129 WeakPolarHBondContact ND2-CG1 3.45Å
77N88.9Confident88.3Confident61 Ų6146.9 Ų46.933%0.32624%0.24SC..THydrogen-bonded Turntrans-91.424.8178.9-67.2-77000113.3M18 A47 L73 V74 K75M18-N77 HydrophobicContact CE-CB 4.05Å; A47-N77 HydrophobicContact CB-CB 3.7Å; A47-N77 PolarHBondContact N-O 2.88Å; A47-N77 VanDerWaalsContact N-O 3.13Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.49Å; L73-N77 PolarHBondContact O-N 3.24Å; L73-N77 PolarHBondContact O-ND2 2.85Å; V74-N77 CarbonylContact O-C 3.59Å; V74-N77 PolarHBondContact O-N 3.25Å; K75-N77 VanDerWaalsContact C-N 3.31Å; K75-N77 PolarHBondContact O-N 3.36Å
78S86.7Confident88.3Confident5 Ų549 Ų494%0.03525%0.251CS..BIsolated β-bridgetrans-104.7133.7172.3-179.60000111.2S45 V74 K75 N76 Q80 G81 C82S45-S78 PolarHBondContact O-OG 2.93Å; S45-S78 VanDerWaalsContact O-OG 3.05Å; V74-S78 PolarHBondContact O-N 2.92Å; V74-S78 VanDerWaalsContact O-N 3.16Å; K75-S78 PolarHBondContact O-N 3.04Å; N76-S78 VanDerWaalsContact C-N 3.28Å; N76-S78 PolarHBondContact O-N 3.09Å; S78-Q80 PolarHBondContact O-N 3.35Å; S78-G81 WeakPolarHBondContact OG-CA 3.25Å; S78-G81 PolarHBondContact OG-N 3.48Å; S78-C82 VanDerWaalsContact O-CB 3.3Å; S78-C82 WeakPolarHBondContact O-CB 3.5Å; S78-C82 PolarHBondContact O-N 2.72Å; S78-C82 PolarHBondContact O-SG 2.89Å
79I84.5Confident88.4Confident130 Ų13046.4 Ų46.467%0.66724%0.235SC*.THydrogen-bonded Turntrans-60.4-50.3-177-58.9177000110.5S45S45-I79 PolarHBondContact O-N 2.89Å
80Q82.7Confident88.5Confident112 Ų11246.7 Ų46.752%0.52324%0.237SC..THydrogen-bonded Turntrans-98.2-34.6179.9-70-178.6-18.400112.1L44 S78 C82 K83 M84L44-Q80 HydrophobicContact CD2-CB 4.21Å; S78-Q80 PolarHBondContact O-N 3.35Å; Q80-C82 VanDerWaalsContact C-N 3.27Å; Q80-C82 PolarHBondContact O-N 3.08Å; Q80-K83 PolarHBondContact O-N 3.11Å; Q80-M84 HydrophobicContact CB-CE 4.09Å; Q80-M84 WeakPolarHBondContact O-CG 3.43Å
81G80.6Confident88.5Confident0 Ų047.8 Ų47.80%024%0.241CC..G310 helixtrans-65.5-26-175.700000114S78 K83 M84 I87S78-G81 WeakPolarHBondContact OG-CA 3.25Å; S78-G81 PolarHBondContact OG-N 3.48Å; G81-K83 PolarHBondContact O-N 3.45Å; G81-M84 PolarHBondContact O-N 2.84Å; G81-I87 WeakPolarHBondContact O-CD1 3.36Å
82C84.7Confident88.6Confident38 Ų3847.8 Ų47.826%0.25724%0.241SC..G310 helixtrans-61.7-27.8-17964.40000114.1K75 S78 Q80K75-C82 VanDerWaalsContact O-CA 3.31Å; K75-C82 WeakPolarHBondContact O-CA 3.38Å; K75-C82 PolarHBondContact O-N 2.93Å; S78-C82 VanDerWaalsContact O-CB 3.3Å; S78-C82 WeakPolarHBondContact O-CB 3.5Å; S78-C82 PolarHBondContact O-N 2.72Å; S78-C82 PolarHBondContact O-SG 2.89Å; Q80-C82 VanDerWaalsContact C-N 3.27Å; Q80-C82 PolarHBondContact O-N 3.08Å
83K84.3Confident88.6Confident186 Ų18649 Ų4981%0.80925%0.252SS*.G310 helixtrans-100.2-11.7-179.6-64.4178.2-175.1177.80113.3Q80 G81Q80-K83 PolarHBondContact O-N 3.11Å; G81-K83 PolarHBondContact O-N 3.45Å
84M84.9Confident88.5Confident84 Ų8451.4 Ų51.441%0.41426%0.261SS..  trans-89.3140.2-177.4-66.9179.8-179.100111.1L44 K75 Q80 G81 I87L44-M84 HydrophobicContact CD1-SD 3.84Å; K75-M84 VanDerWaalsContact CE-O 3.25Å; K75-M84 WeakPolarHBondContact CE-O 3.37Å; K75-M84 PolarHBondContact NZ-O 3.4Å; Q80-M84 HydrophobicContact CB-CE 4.09Å; Q80-M84 WeakPolarHBondContact O-CG 3.43Å; G81-M84 PolarHBondContact O-N 2.84Å; M84-I87 HydrophobicContact CB-CG2 3.89Å
85N86.9Confident88.3Confident116 Ų11654.5 Ų54.562%0.6229%0.287SS*.SBendtrans-91158168.6-63.6-33.7000109.7I87 E122N85-I87 PolarHBondContact O-N 3.34Å; N85-E122 CarbonylContact C-O 3.53Å; N85-E122 VanDerWaalsContact CA-O 3.27Å; N85-E122 WeakPolarHBondContact CA-O 3.21Å; N85-E122 WeakPolarHBondContact CB-O 3.43Å
86N86.7Confident88.3Confident113 Ų11354.7 Ų54.760%0.60429%0.288SS*.SBendtrans54.853.1176.8-55.2-36.6000112.9V121 E122N86-V121 PolarHBondContact N-O 3.16Å; N86-E122 PolarHBondContact N-O 2.92Å; N86-E122 WeakPolarHBondContact OD1-CA 3.35Å
87I89.7Confident88.2Confident12 Ų1253.7 Ų53.76%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-94.7146174.537.3164.3000110.7V41 L44 K75 G81 M84 N85 V121V41-I87 HydrophobicContact CG1-CB 4.37Å; V41-I87 HydrophobicContact CG1-CG2 4.48Å; L44-I87 HydrophobicContact CD1-CG2 4.07Å; K75-I87 HydrophobicContact CB-CD1 3.8Å; K75-I87 HydrophobicContact CD-CD1 3.34Å; K75-I87 HydrophobicContact CD-CG1 3.89Å; K75-I87 HydrophobicContact CG-CD1 3.39Å; K75-I87 HydrophobicContact CG-CG1 4.45Å; G81-I87 WeakPolarHBondContact O-CD1 3.36Å; M84-I87 HydrophobicContact CB-CG2 3.89Å; N85-I87 PolarHBondContact O-N 3.34Å; I87-V121 PolarHBondContact N-O 3.37Å; I87-V121 VanDerWaalsContact N-O 3.14Å; I87-V121 PolarHBondContact O-N 2.86Å
88N92.2Very high88.1Confident69 Ų6954.7 Ų54.737%0.36928%0.284SS..EExtended strand (participates in β ladder)trans-95.8126177.1-69.2-21.2000109.1D42 I118D42-N88 HydrophobicContact CB-CB 4.05Å; D42-N88 WeakPolarHBondContact CB-O 3.33Å; D42-N88 PolarHBondContact N-O 3.49Å; N88-I118 HydrophobicContact CB-CG2 3.72Å
89V92.3Very high88Confident1 Ų157.1 Ų57.11%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-102.3122.7171.7-179.80000107.6F39 H40 A71 V74 I118 V119 V121F39-V89 HydrophobicContact CB-CG1 4.48Å; F39-V89 HydrophobicContact CD1-CG1 4.27Å; H40-V89 CarbonylContact O-C 3.43Å; H40-V89 WeakPolarHBondContact O-CA 3.38Å; H40-V89 WeakPolarHBondContact O-CG1 3.43Å; A71-V89 HydrophobicContact CB-CB 4.27Å; A71-V89 HydrophobicContact CB-CG1 4.34Å; A71-V89 HydrophobicContact CB-CG2 4.11Å; V74-V89 HydrophobicContact CG1-CG1 4.43Å; V89-I118 CarbonylContact O-C 3.5Å; V89-I118 WeakPolarHBondContact O-CA 3.28Å; V89-V119 PolarHBondContact N-O 2.83Å; V89-V119 PolarHBondContact O-N 2.93Å; V89-V121 HydrophobicContact CG2-CG2 4.03Å
90V93.1Very high88Confident9 Ų953.1 Ų53.16%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-87.6142.7172.9-70.30000109.6W38 F39 H40 D42 V116 K117 I118W38-V90 HydrophobicContact CH2-CG2 4.44Å; W38-V90 HydrophobicContact CZ3-CG2 3.97Å; F39-V90 WeakPolarHBondContact CA-O 3.13Å; H40-V90 HydrophobicContact CB-CG2 4.11Å; H40-V90 PolarHBondContact N-O 3.01Å; H40-V90 WeakPolarHBondContact O-CG2 3.42Å; H40-V90 PolarHBondContact O-N 3.13Å; D42-V90 HydrophobicContact CB-CG1 4.23Å; V90-V116 HydrophobicContact CB-CG1 3.91Å; V90-V116 HydrophobicContact CG1-CG1 4.04Å; V90-K117 CarbonylContact C-O 3.58Å; V90-K117 WeakPolarHBondContact CA-O 3.07Å; V90-I118 HydrophobicContact CG1-CG1 3.99Å
91Y93.2Very high87.9Confident23 Ų2351.9 Ų51.99%0.0929%0.293CS..EExtended strand (participates in β ladder)trans-143143.2172.767.8-72.2000111.5I37 W38 F39 I59 L67 K117 V119I37-Y91 HydrophobicContact CG2-CD2 4.13Å; W38-Y91 CarbonylContact O-C 3.5Å; W38-Y91 WeakPolarHBondContact O-CA 3.34Å; W38-Y91 WeakPolarHBondContact O-CB 3.33Å; F39-Y91 HydrophobicContact CD1-CG 4.13Å; F39-Y91 HydrophobicContact CE1-CD1 4.4Å; F39-Y91 HydrophobicContact CE1-CD2 4.05Å; F39-Y91 AromaticContact CE1-CG 3.72Å; F39-Y91 HydrophobicContact CE1-CG 3.72Å; F39-Y91 HydrophobicContact CZ-CD2 4.23Å; F39-Y91 HydrophobicContact CZ-CG 4.31Å; I59-Y91 HydrophobicContact CD1-CD2 3.63Å; I59-Y91 HydrophobicContact CD1-CE2 3.83Å; I59-Y91 HydrophobicContact CG1-CD2 3.82Å; I59-Y91 HydrophobicContact CG1-CE2 3.66Å; L67-Y91 HydrophobicContact CD1-CD1 4.43Å; L67-Y91 HydrophobicContact CD1-CD2 3.97Å; L67-Y91 HydrophobicContact CD1-CE1 4.25Å; L67-Y91 HydrophobicContact CD1-CE2 3.71Å; L67-Y91 HydrophobicContact CD1-CG 4.33Å; Y91-K117 HydrophobicContact CD1-CB 3.88Å; Y91-K117 WeakPolarHBondContact CD1-O 3.46Å; Y91-K117 HydrophobicContact CD2-CB 4.35Å; Y91-K117 HydrophobicContact CE1-CB 3.27Å; Y91-K117 HydrophobicContact CE2-CB 3.86Å; Y91-K117 HydrophobicContact CE2-CD 3.96Å; Y91-K117 HydrophobicContact CE2-CG 4.47Å; Y91-K117 HydrophobicContact CG-CB 4.36Å; Y91-K117 PolarHBondContact N-O 3.4Å; Y91-K117 PolarHBondContact O-N 3Å; Y91-K117 WeakPolarHBondContact OH-CD 3.32Å; Y91-V119 HydrophobicContact CD1-CG2 4.03Å; Y91-V119 HydrophobicContact CE1-CB 4.38Å; Y91-V119 HydrophobicContact CE1-CG2 3.38Å
92T92.7Very high88Confident1 Ų159.3 Ų59.31%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-153.8157.6-177.6-178.60000110W38 N96 L97 F110W38-T92 HydrophobicContact CE3-CG2 3.9Å; W38-T92 HydrophobicContact CZ3-CG2 4.47Å; W38-T92 PolarHBondContact N-O 3.49Å; W38-T92 PolarHBondContact O-N 2.97Å; T92-N96 WeakPolarHBondContact OG1-CB 3.45Å; T92-N96 PolarHBondContact OG1-ND2 2.99Å; T92-L97 HydrophobicContact CG2-CD2 3.62Å; T92-F110 HydrophobicContact CG2-CD1 3.96Å; T92-F110 HydrophobicContact CG2-CE1 3.73Å
93A92.3Very high88Confident31 Ų3159.9 Ų59.926%0.25633%0.332SS..EExtended strand (participates in β ladder)trans-62144170.400000111I37 A95 N96I37-A93 HydrophobicContact CD1-CB 4.19Å; A93-A95 PolarHBondContact O-N 2.81Å; A93-N96 WeakPolarHBondContact O-CB 3.41Å; A93-N96 PolarHBondContact O-N 2.83Å
94W89.1Confident87.9Confident52 Ų5257 Ų5720%0.19733%0.325CS..G310 helixtrans-55.3-37177.6176.992.2000112.1I29 G32 W33 D36 N96 L97I29-W94 WeakPolarHBondContact O-CZ2 3.26Å; I29-W94 PolarHBondContact O-NE1 2.82Å; G32-W94 WeakPolarHBondContact O-CZ2 3.41Å; W33-W94 WeakPolarHBondContact O-CB 3.5Å; D36-W94 HydrophobicContact CB-CB 4.35Å; D36-W94 VanDerWaalsContact O-CB 3.22Å; D36-W94 WeakPolarHBondContact O-CB 3.28Å; D36-W94 PolarHBondContact O-N 2.94Å; W94-N96 PolarHBondContact O-N 2.89Å; W94-L97 HydrophobicContact CG-CD1 4.4Å; W94-L97 WeakPolarHBondContact O-CB 3.03Å; W94-L97 WeakPolarHBondContact O-CG 3.45Å; W94-L97 PolarHBondContact O-N 2.82Å
95A88.1Confident87.6Confident65 Ų6556.3 Ų56.354%0.53733%0.326SS..G310 helixtrans-59.6-19.5177.500000114.4A93A93-A95 PolarHBondContact O-N 2.81Å
96N89.6Confident87Confident5 Ų552 Ų523%0.02731%0.309CS..G310 helixtrans-93-6178.2-171.432.4000113T92 A93 W94 K98 F110 Y111 K112T92-N96 WeakPolarHBondContact OG1-CB 3.45Å; T92-N96 PolarHBondContact OG1-ND2 2.99Å; A93-N96 WeakPolarHBondContact O-CB 3.41Å; A93-N96 PolarHBondContact O-N 2.83Å; W94-N96 PolarHBondContact O-N 2.89Å; N96-K98 PolarHBondContact O-N 2.98Å; N96-F110 WeakPolarHBondContact O-CA 3.39Å; N96-Y111 PolarHBondContact O-N 3.46Å; N96-Y111 PolarHBondContact OD1-N 2.97Å; N96-K112 PolarHBondContact ND2-O 2.95Å; N96-K112 PolarHBondContact OD1-N 3.19Å
97L88.4Confident86.8Confident15 Ų1551.4 Ų51.48%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-73.8128.3177.4-57.9178.3000110W38 T92 W94 I108 F110 Y111W38-L97 HydrophobicContact CB-CD1 3.81Å; W38-L97 HydrophobicContact CB-CD2 4.24Å; W38-L97 HydrophobicContact CB-CG 4.45Å; W38-L97 HydrophobicContact CD2-CD1 4.39Å; W38-L97 HydrophobicContact CD2-CD2 3.86Å; W38-L97 HydrophobicContact CE3-CD2 3.92Å; W38-L97 HydrophobicContact CG-CD1 3.79Å; W38-L97 HydrophobicContact CG-CD2 4.05Å; W38-L97 HydrophobicContact CZ3-CD2 4.48Å; T92-L97 HydrophobicContact CG2-CD2 3.62Å; W94-L97 HydrophobicContact CG-CD1 4.4Å; W94-L97 WeakPolarHBondContact O-CB 3.03Å; W94-L97 WeakPolarHBondContact O-CG 3.45Å; W94-L97 PolarHBondContact O-N 2.82Å; L97-I108 HydrophobicContact CB-CG2 4.06Å; L97-I108 HydrophobicContact CD2-CG2 3.87Å; L97-I108 HydrophobicContact CG-CG2 4.42Å; L97-F110 HydrophobicContact CD2-CD1 4.1Å; L97-F110 HydrophobicContact CD2-CE1 3.85Å; L97-Y111 WeakPolarHBondContact O-CE2 3.45Å
98K88.2Confident86.6Confident82 Ų8252 Ų5236%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-114.6112.4177.3-175.3179-175.9-177.80109.2N96 G109 Y111N96-K98 PolarHBondContact O-N 2.98Å; K98-G109 PolarHBondContact N-O 2.84Å; K98-G109 CarbonylContact O-C 3.57Å; K98-G109 VanDerWaalsContact O-CA 3.3Å; K98-G109 WeakPolarHBondContact O-CA 3.46Å; K98-G109 PolarHBondContact O-N 2.95Å; K98-Y111 HydrophobicContact CB-CD1 4.17Å; K98-Y111 HydrophobicContact CB-CD2 3.8Å; K98-Y111 HydrophobicContact CB-CE1 4.03Å; K98-Y111 HydrophobicContact CB-CE2 3.66Å; K98-Y111 HydrophobicContact CB-CG 4.04Å; K98-Y111 HydrophobicContact CD-CD1 3.77Å; K98-Y111 HydrophobicContact CD-CE1 3.58Å; K98-Y111 HydrophobicContact CD-CG 4.41Å; K98-Y111 HydrophobicContact CG-CD1 4.13Å; K98-Y111 HydrophobicContact CG-CD2 4.48Å; K98-Y111 HydrophobicContact CG-CE1 3.66Å; K98-Y111 HydrophobicContact CG-CE2 4.06Å
99K84.9Confident86.4Confident56 Ų5649.5 Ų49.524%0.24330%0.296CS..  trans-109.5124168.4-174.973.2-174.9-159.70109.1E26 M103 D104 Q107E26-K99 IonicContact OE1-NZ 3.79Å; E26-K99 PolarHBondContact OE1-NZ 2.89Å; E26-K99 VanDerWaalsContact OE2-CE 3.29Å; E26-K99 WeakPolarHBondContact OE2-CE 3.28Å; E26-K99 IonicContact OE2-NZ 2.8Å; E26-K99 PolarHBondContact OE2-NZ 2.84Å; K99-M103 HydrophobicContact CD-CB 4.27Å; K99-M103 PolarHBondContact NZ-O 3.13Å; K99-D104 PolarHBondContact NZ-O 3.07Å; K99-Q107 VanDerWaalsContact CD-O 3.22Å; K99-Q107 WeakPolarHBondContact CD-O 3.35Å; K99-Q107 PolarHBondContact NZ-O 3.32Å
100T84.5Confident86.4Confident46 Ų4652.3 Ų52.328%0.28231%0.309SS..  trans-103.9150.5169.650.90000109.6D102 M103T100-D102 PolarHBondContact O-N 3.06Å; T100-M103 WeakPolarHBondContact O-CB 3.38Å; T100-M103 PolarHBondContact O-N 2.98Å; T100-M103 VanDerWaalsContact OG1-CG 3.28Å; T100-M103 WeakPolarHBondContact OG1-CG 3.21Å; T100-M103 PolarHBondContact OG1-SD 3.44Å
101G79.7Confident86.2Confident85 Ų8558.8 Ų58.888%0.87633%0.333SS*.THydrogen-bonded Turntrans-61.1-24.1-17900000113.8M103G101-M103 VanDerWaalsContact C-N 3.29Å; G101-M103 PolarHBondContact O-N 3.3Å
102D83.6Confident86.2Confident157 Ų15763.2 Ų63.284%0.8435%0.353SS*.THydrogen-bonded Turntrans-78.5-7.7176.6-48.9-83.5000114T100T100-D102 PolarHBondContact O-N 3.06Å
103M84.5Confident86Confident50 Ų5071 Ų7125%0.24639%0.389CS..SBendtrans-85.6135.4-179.5-77.3173.2176.900111.5K99 T100 G101 Q107K99-M103 HydrophobicContact CD-CB 4.27Å; K99-M103 PolarHBondContact NZ-O 3.13Å; T100-M103 WeakPolarHBondContact O-CB 3.38Å; T100-M103 PolarHBondContact O-N 2.98Å; T100-M103 VanDerWaalsContact OG1-CG 3.28Å; T100-M103 WeakPolarHBondContact OG1-CG 3.21Å; T100-M103 PolarHBondContact OG1-SD 3.44Å; G101-M103 VanDerWaalsContact C-N 3.29Å; G101-M103 PolarHBondContact O-N 3.3Å; M103-Q107 HydrophobicContact CB-CB 4.35Å
104D81.4Confident85.8Confident125 Ų12579.3 Ų79.367%0.66842%0.419SS*.PPolyproline II helixtrans-54.9150.8175.2-76.7-68000112.6K99 G106 Q107K99-D104 PolarHBondContact NZ-O 3.07Å; D104-G106 PolarHBondContact O-N 2.85Å; D104-Q107 WeakPolarHBondContact O-CB 3.46Å; D104-Q107 PolarHBondContact O-N 3.46Å
105V78.2Confident85.8Confident69 Ų6981 Ų8142%0.41843%0.429SS..THydrogen-bonded Turntrans-58122179.3-176.80000109.9K22 Y23 E26K22-V105 HydrophobicContact CB-CG1 3.96Å; K22-V105 HydrophobicContact CD-CB 4.36Å; K22-V105 HydrophobicContact CD-CG1 3.86Å; K22-V105 HydrophobicContact CG-CG1 3.74Å; Y23-V105 HydrophobicContact CD1-CG1 4.4Å; E26-V105 HydrophobicContact CG-CG1 3.89Å
106G75.7Confident85.9Confident27 Ų2779.3 Ų79.328%0.27841%0.412SS..THydrogen-bonded Turntrans91.3-10.2-175.300000115.4E26 H48 D104E26-G106 PolarHBondContact OE1-N 3.47Å; H48-G106 PolarHBondContact CE1-O 3.25Å; D104-G106 PolarHBondContact O-N 2.85Å
107Q82.4Confident86Confident100 Ų10081.6 Ų81.647%0.46742%0.422SS..  trans-81.8129.7170-172.2179.713.600110.4K99 M103 D104K99-Q107 VanDerWaalsContact CD-O 3.22Å; K99-Q107 WeakPolarHBondContact CD-O 3.35Å; K99-Q107 PolarHBondContact NZ-O 3.32Å; M103-Q107 HydrophobicContact CB-CB 4.35Å; D104-Q107 WeakPolarHBondContact O-CB 3.46Å; D104-Q107 PolarHBondContact O-N 3.46Å
108I85.6Confident86.2Confident25 Ų2585.9 Ų85.913%0.12844%0.444CS..  trans-127.4131.6178.4-55.7168.9000109.1I29 W38 H48 L97I29-I108 HydrophobicContact CD1-CD1 3.38Å; I29-I108 HydrophobicContact CD1-CG1 3.75Å; I29-I108 HydrophobicContact CG1-CD1 4.15Å; W38-I108 HydrophobicContact CZ2-CD1 3.63Å; H48-I108 WeakPolarHBondContact CE1-CD1 3.37Å; L97-I108 HydrophobicContact CB-CG2 4.06Å; L97-I108 HydrophobicContact CD2-CG2 3.87Å; L97-I108 HydrophobicContact CG-CG2 4.42Å
109G87.9Confident86.3Confident16 Ų1683.2 Ų83.217%0.16543%0.434CS..EExtended strand (participates in β ladder)trans-96.1175.6169.300000112K98K98-G109 PolarHBondContact N-O 2.84Å; K98-G109 CarbonylContact O-C 3.57Å; K98-G109 VanDerWaalsContact O-CA 3.3Å; K98-G109 WeakPolarHBondContact O-CA 3.46Å; K98-G109 PolarHBondContact O-N 2.95Å
110F91.5Very high86.6Confident60 Ų6084 Ų8426%0.26345%0.451SS..EExtended strand (participates in β ladder)trans-123.4142.4175.5-53.2-67.2000109.9W38 T92 N96 L97 V116W38-F110 HydrophobicContact CE3-CE1 4.26Å; W38-F110 HydrophobicContact CH2-CE1 4.19Å; W38-F110 AromaticContact CH2-CZ 3.98Å; W38-F110 HydrophobicContact CH2-CZ 3.98Å; W38-F110 AromaticContact CZ3-CE1 3.68Å; W38-F110 HydrophobicContact CZ3-CE1 3.68Å; W38-F110 AromaticContact CZ3-CZ 3.68Å; W38-F110 HydrophobicContact CZ3-CZ 3.68Å; T92-F110 HydrophobicContact CG2-CD1 3.96Å; T92-F110 HydrophobicContact CG2-CE1 3.73Å; N96-F110 WeakPolarHBondContact O-CA 3.39Å; L97-F110 HydrophobicContact CD2-CD1 4.1Å; L97-F110 HydrophobicContact CD2-CE1 3.85Å; F110-V116 HydrophobicContact CB-CG2 4.27Å; F110-V116 HydrophobicContact CD1-CG2 3.96Å; F110-V116 HydrophobicContact CD2-CG2 4.05Å; F110-V116 HydrophobicContact CE1-CG2 4.33Å; F110-V116 HydrophobicContact CE2-CG2 4.4Å; F110-V116 HydrophobicContact CG-CG2 3.81Å
111Y89.4Confident86.8Confident144 Ų14482.2 Ų82.257%0.56544%0.44SS*.SBendtrans-71.8-44.8171.5-73.2-75.3000111.1N96 L97 K98N96-Y111 PolarHBondContact O-N 3.46Å; N96-Y111 PolarHBondContact OD1-N 2.97Å; L97-Y111 WeakPolarHBondContact O-CE2 3.45Å; K98-Y111 HydrophobicContact CB-CD1 4.17Å; K98-Y111 HydrophobicContact CB-CD2 3.8Å; K98-Y111 HydrophobicContact CB-CE1 4.03Å; K98-Y111 HydrophobicContact CB-CE2 3.66Å; K98-Y111 HydrophobicContact CB-CG 4.04Å; K98-Y111 HydrophobicContact CD-CD1 3.77Å; K98-Y111 HydrophobicContact CD-CE1 3.58Å; K98-Y111 HydrophobicContact CD-CG 4.41Å; K98-Y111 HydrophobicContact CG-CD1 4.13Å; K98-Y111 HydrophobicContact CG-CD2 4.48Å; K98-Y111 HydrophobicContact CG-CE1 3.66Å; K98-Y111 HydrophobicContact CG-CE2 4.06Å
112K91.7Very high87Confident117 Ų11784.9 Ų84.951%0.50943%0.43SS..  trans-128.2107.5-179.3-66.7162.3171.7176.30109.8N96 K114 E115N96-K112 PolarHBondContact ND2-O 2.95Å; N96-K112 PolarHBondContact OD1-N 3.19Å; K112-K114 PolarHBondContact O-N 2.87Å; K112-E115 HydrophobicContact CB-CB 4.4Å; K112-E115 HydrophobicContact CB-CG 4.19Å; K112-E115 HydrophobicContact CD-CG 4.17Å; K112-E115 WeakPolarHBondContact CD-OE1 3.23Å; K112-E115 WeakPolarHBondContact CD-OE2 3.43Å; K112-E115 IonicContact NZ-OE1 3.74Å; K112-E115 PolarHBondContact NZ-OE1 2.95Å; K112-E115 IonicContact NZ-OE2 3.19Å; K112-E115 PolarHBondContact O-N 2.98Å
113Q88.7Confident87.1Confident163 Ų16384.3 Ų84.376%0.76242%0.42SS*.G310 helixtrans-63.5-26.5175.8-72.3-178.4-24.200113.1E115 V116Q113-E115 PolarHBondContact O-N 2.73Å; Q113-V116 WeakPolarHBondContact O-CB 3.38Å; Q113-V116 PolarHBondContact O-N 2.83Å
114K89.7Confident87.1Confident207 Ų20785.5 Ų85.590%0.942%0.424SS*.G310 helixtrans-67.6-22.8178.9-65.2-174.6179.1-1780113.9K112 V116K112-K114 PolarHBondContact O-N 2.87Å; K114-V116 VanDerWaalsContact C-N 3.32Å
115E87.3Confident87.4Confident87 Ų8782.1 Ų82.141%0.40741%0.405SS..G310 helixtrans-87.5-5.4178.5-69.5178.1163.700112.1K112 Q113K112-E115 HydrophobicContact CB-CB 4.4Å; K112-E115 HydrophobicContact CB-CG 4.19Å; K112-E115 HydrophobicContact CD-CG 4.17Å; K112-E115 WeakPolarHBondContact CD-OE1 3.23Å; K112-E115 WeakPolarHBondContact CD-OE2 3.43Å; K112-E115 IonicContact NZ-OE1 3.74Å; K112-E115 PolarHBondContact NZ-OE1 2.95Å; K112-E115 IonicContact NZ-OE2 3.19Å; K112-E115 PolarHBondContact O-N 2.98Å; Q113-E115 PolarHBondContact O-N 2.73Å
116V90.1Very high87.8Confident29 Ų2983 Ų8318%0.17641%0.407CS..  trans-80.8122.4175.1-1760000108.9V90 F110 Q113 K114V90-V116 HydrophobicContact CB-CG1 3.91Å; V90-V116 HydrophobicContact CG1-CG1 4.04Å; F110-V116 HydrophobicContact CB-CG2 4.27Å; F110-V116 HydrophobicContact CD1-CG2 3.96Å; F110-V116 HydrophobicContact CD2-CG2 4.05Å; F110-V116 HydrophobicContact CE1-CG2 4.33Å; F110-V116 HydrophobicContact CE2-CG2 4.4Å; F110-V116 HydrophobicContact CG-CG2 3.81Å; Q113-V116 WeakPolarHBondContact O-CB 3.38Å; Q113-V116 PolarHBondContact O-N 2.83Å; K114-V116 VanDerWaalsContact C-N 3.32Å
117K92Very high88.5Confident54 Ų5489.4 Ų89.424%0.23543%0.43CS..EExtended strand (participates in β ladder)trans-101.8154.5175.4-64.8-173.3-175.5179.60110.1I59 D60 V90 Y91I59-K117 HydrophobicContact CD1-CD 4.4Å; I59-K117 HydrophobicContact CG1-CD 4.48Å; D60-K117 IonicContact OD1-NZ 3.22Å; D60-K117 PolarHBondContact OD1-NZ 3.5Å; D60-K117 IonicContact OD2-NZ 3.62Å; D60-K117 PolarHBondContact OD2-NZ 3.33Å; V90-K117 CarbonylContact C-O 3.58Å; V90-K117 WeakPolarHBondContact CA-O 3.07Å; Y91-K117 HydrophobicContact CD1-CB 3.88Å; Y91-K117 WeakPolarHBondContact CD1-O 3.46Å; Y91-K117 HydrophobicContact CD2-CB 4.35Å; Y91-K117 HydrophobicContact CE1-CB 3.27Å; Y91-K117 HydrophobicContact CE2-CB 3.86Å; Y91-K117 HydrophobicContact CE2-CD 3.96Å; Y91-K117 HydrophobicContact CE2-CG 4.47Å; Y91-K117 HydrophobicContact CG-CB 4.36Å; Y91-K117 PolarHBondContact N-O 3.4Å; Y91-K117 PolarHBondContact O-N 3Å; Y91-K117 WeakPolarHBondContact OH-CD 3.32Å
118I92.4Very high88.7Confident104 Ų10485.7 Ų85.753%0.53341%0.413SS..EExtended strand (participates in β ladder)trans-125.3132.6-177.3-59.5168.7000108.8N88 V89 V90N88-I118 HydrophobicContact CB-CG2 3.72Å; V89-I118 CarbonylContact O-C 3.5Å; V89-I118 WeakPolarHBondContact O-CA 3.28Å; V90-I118 HydrophobicContact CG1-CG1 3.99Å
119V91.9Very high88.9Confident26 Ų2684.6 Ų84.616%0.15841%0.408CS..EExtended strand (participates in β ladder)trans-116125.6170.8168.60000108.8L67 A71 V89 Y91 V121L67-V119 HydrophobicContact CD1-CG2 4.4Å; L67-V119 HydrophobicContact CD2-CG2 3.44Å; L67-V119 VanDerWaalsContact CD2-CG2 3.44Å; L67-V119 HydrophobicContact CG-CG2 3.91Å; A71-V119 HydrophobicContact CB-CG1 4.4Å; V89-V119 PolarHBondContact N-O 2.83Å; V89-V119 PolarHBondContact O-N 2.93Å; Y91-V119 HydrophobicContact CD1-CG2 4.03Å; Y91-V119 HydrophobicContact CE1-CB 4.38Å; Y91-V119 HydrophobicContact CE1-CG2 3.38Å; V119-V121 HydrophobicContact CG1-CG2 4.25Å
120A90.7Very high89Confident72 Ų7287.9 Ų87.960%0.59542%0.422SS*.EExtended strand (participates in β ladder)trans-83.1128.7174.100000110.1
121V88.1Confident89Confident9 Ų989.9 Ų89.96%0.05543%0.427CS..EExtended strand (participates in β ladder)trans-118.1101.8176.6-175.90000109.5A71 Q72 K75 N86 I87 V89 V119A71-V121 HydrophobicContact CB-CG2 3.61Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.27Å; K75-V121 HydrophobicContact CD-CB 4.45Å; K75-V121 HydrophobicContact CD-CG1 3.74Å; K75-V121 PolarHBondContact NZ-O 2.74Å; N86-V121 PolarHBondContact N-O 3.16Å; I87-V121 PolarHBondContact N-O 3.37Å; I87-V121 VanDerWaalsContact N-O 3.14Å; I87-V121 PolarHBondContact O-N 2.86Å; V89-V121 HydrophobicContact CG2-CG2 4.03Å; V119-V121 HydrophobicContact CG1-CG2 4.25Å
122E84.8Confident89Confident142 Ų14283.1 Ų83.166%0.66440%0.401SS*.  trans-64.4-59.2-176.8-62.1-179.499.600111.6K75 N85 N86K75-E122 PolarHBondContact NZ-O 2.84Å; N85-E122 CarbonylContact C-O 3.53Å; N85-E122 VanDerWaalsContact CA-O 3.27Å; N85-E122 WeakPolarHBondContact CA-O 3.21Å; N85-E122 WeakPolarHBondContact CB-O 3.43Å; N86-E122 PolarHBondContact N-O 2.92Å; N86-E122 WeakPolarHBondContact OD1-CA 3.35Å
123K86.1Confident88.8Confident145 Ų14582 Ų8263%0.6340%0.398SS*.SBendtrans-125152.3-17665.4-176.3178.4-176.70112.2Q72 I125Q72-K123 PolarHBondContact NE2-O 2.93Å; K123-I125 HydrophobicContact CG-CG1 4.46Å
124K83Confident88.9Confident75 Ų7582.8 Ų82.833%0.32640%0.399SS..  trans-71.8129.3169.9-173.1-174.5-179.7-167.80108.9K75 N76 N126K75-K124 HydrophobicContact CD-CB 4.44Å; N76-K124 WeakPolarHBondContact OD1-CE 3.3Å; N76-K124 PolarHBondContact OD1-NZ 3.39Å; K124-N126 VanDerWaalsContact CD-OD1 3.24Å; K124-N126 WeakPolarHBondContact CD-OD1 3.47Å; K124-N126 WeakPolarHBondContact CE-OD1 3.34Å; K124-N126 PolarHBondContact NZ-OD1 2.86Å
125I88.3Confident88.9Confident53 Ų5375.1 Ų75.127%0.27237%0.369SS..  trans-107.597.5175.3-57172.5000107.7K123 E127 I128 V129K123-I125 HydrophobicContact CG-CG1 4.46Å; I125-E127 HydrophobicContact CG2-CB 4.36Å; I125-E127 PolarHBondContact O-N 2.83Å; I125-I128 HydrophobicContact CB-CB 4.48Å; I125-I128 HydrophobicContact CB-CD1 4.03Å; I125-I128 HydrophobicContact CB-CG1 4.32Å; I125-I128 HydrophobicContact CD1-CD1 3.95Å; I125-I128 HydrophobicContact CG2-CB 4.25Å; I125-I128 HydrophobicContact CG2-CD1 3.82Å; I125-I128 HydrophobicContact CG2-CG1 3.78Å; I125-I128 PolarHBondContact O-N 3.14Å; I125-V129 PolarHBondContact O-N 2.78Å
126N86.6Confident89Confident87 Ų8774.6 Ų74.647%0.46537%0.365SS..Hα-helixtrans-63.2-29.4-176.6-71.9-23.4000112.7K124 I128 V129 N130K124-N126 VanDerWaalsContact CD-OD1 3.24Å; K124-N126 WeakPolarHBondContact CD-OD1 3.47Å; K124-N126 WeakPolarHBondContact CE-OD1 3.34Å; K124-N126 PolarHBondContact NZ-OD1 2.86Å; N126-I128 VanDerWaalsContact C-N 3.34Å; N126-I128 PolarHBondContact O-N 3.43Å; N126-V129 PolarHBondContact O-N 2.94Å; N126-N130 VanDerWaalsContact O-CB 3.27Å; N126-N130 WeakPolarHBondContact O-CB 3.47Å; N126-N130 PolarHBondContact O-N 3.26Å; N126-N130 PolarHBondContact O-ND2 3.44Å; N126-N130 PolarHBondContact O-OD1 2.85Å
127E89.4Confident89Confident162 Ų16277.7 Ų77.776%0.75738%0.378SS*.Hα-helixtrans-62.1-41.9179.1-64.2-178.8102.800112.4I125 R131I125-E127 HydrophobicContact CG2-CB 4.36Å; I125-E127 PolarHBondContact O-N 2.83Å; E127-R131 WeakPolarHBondContact O-CB 3.15Å; E127-R131 PolarHBondContact O-N 3.48Å
128I88.4Confident88.8Confident23 Ų2380.1 Ų80.112%0.11839%0.39CS..Hα-helixtrans-65.4-47.8177.4-68.9175.6000110.2V68 D69 Q72 I125 N126 R131 L132V68-I128 HydrophobicContact CG1-CD1 3.86Å; D69-I128 HydrophobicContact CB-CG2 4.32Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.29Å; Q72-I128 HydrophobicContact CB-CG2 4.05Å; Q72-I128 HydrophobicContact CG-CD1 4.35Å; Q72-I128 HydrophobicContact CG-CG2 4.3Å; I125-I128 HydrophobicContact CB-CB 4.48Å; I125-I128 HydrophobicContact CB-CD1 4.03Å; I125-I128 HydrophobicContact CB-CG1 4.32Å; I125-I128 HydrophobicContact CD1-CD1 3.95Å; I125-I128 HydrophobicContact CG2-CB 4.25Å; I125-I128 HydrophobicContact CG2-CD1 3.82Å; I125-I128 HydrophobicContact CG2-CG1 3.78Å; I125-I128 PolarHBondContact O-N 3.14Å; N126-I128 VanDerWaalsContact C-N 3.34Å; N126-I128 PolarHBondContact O-N 3.43Å; I128-R131 WeakPolarHBondContact O-CB 3.48Å; I128-R131 PolarHBondContact O-N 2.92Å; I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 WeakPolarHBondContact O-CG 3.37Å; I128-L132 PolarHBondContact O-N 2.84Å
129V88.4Confident88.3Confident2 Ų281.4 Ų81.41%0.01239%0.388CS..Hα-helixtrans-60.3-49.9178.8176.70000110.5Q72 N76 I125 N126 R131 L132 E133Q72-V129 HydrophobicContact CB-CG2 4.26Å; N76-V129 HydrophobicContact CB-CG1 4.05Å; N76-V129 HydrophobicContact CB-CG2 3.99Å; N76-V129 WeakPolarHBondContact ND2-CG1 3.45Å; I125-V129 PolarHBondContact O-N 2.78Å; N126-V129 PolarHBondContact O-N 2.94Å; V129-R131 VanDerWaalsContact C-N 3.26Å; V129-R131 PolarHBondContact O-N 3.45Å; V129-L132 PolarHBondContact O-N 3.35Å; V129-L132 VanDerWaalsContact O-N 3.12Å; V129-E133 HydrophobicContact CG1-CG 4.28Å; V129-E133 WeakPolarHBondContact O-CG 3.38Å; V129-E133 PolarHBondContact O-N 2.97Å
130N90.1Very high87.5Confident85 Ų8587.5 Ų87.546%0.45541%0.413SS..Hα-helixtrans-61.6-35.4179.8-69.4-12.8000112N126 K134N126-N130 VanDerWaalsContact O-CB 3.27Å; N126-N130 WeakPolarHBondContact O-CB 3.47Å; N126-N130 PolarHBondContact O-N 3.26Å; N126-N130 PolarHBondContact O-ND2 3.44Å; N126-N130 PolarHBondContact O-OD1 2.85Å; N130-K134 WeakPolarHBondContact O-CG 3.28Å; N130-K134 PolarHBondContact O-N 2.79Å
131R91.4Very high86.5Confident102 Ų10285.5 Ų85.539%0.38539%0.394SS..Hα-helixtrans-64.6-47.6174.1178.5-177.165-158.7-4.2111D69 E127 I128 V129 K134D69-R131 IonicContact OD1-NH2 3.5Å; D69-R131 PolarHBondContact OD1-NH2 3.01Å; D69-R131 IonicContact OD2-CZ 3.61Å; D69-R131 IonicContact OD2-NH2 3.31Å; D69-R131 PolarHBondContact OD2-NH2 3.32Å; E127-R131 WeakPolarHBondContact O-CB 3.15Å; E127-R131 PolarHBondContact O-N 3.48Å; I128-R131 WeakPolarHBondContact O-CB 3.48Å; I128-R131 PolarHBondContact O-N 2.92Å; V129-R131 VanDerWaalsContact C-N 3.26Å; V129-R131 PolarHBondContact O-N 3.45Å; R131-K134 WeakPolarHBondContact O-CB 3.17Å; R131-K134 PolarHBondContact O-N 3.2Å
132L88.9Confident85.7Confident1 Ų191.3 Ų91.31%0.00543%0.425CS..Hα-helixtrans-63.5-43.8178.3-68.7169000110.9F5 I16 D69 L73 I128 V129 K134 T135 K136F5-L132 HydrophobicContact CD1-CB 4.42Å; F5-L132 WeakPolarHBondContact CD1-O 3.27Å; I16-L132 HydrophobicContact CD1-CD2 4.34Å; D69-L132 HydrophobicContact CB-CD1 3.99Å; D69-L132 HydrophobicContact CB-CD2 4.48Å; L73-L132 HydrophobicContact CB-CD1 4.2Å; I128-L132 HydrophobicContact CG2-CD1 4.07Å; I128-L132 WeakPolarHBondContact O-CG 3.37Å; I128-L132 PolarHBondContact O-N 2.84Å; V129-L132 PolarHBondContact O-N 3.35Å; V129-L132 VanDerWaalsContact O-N 3.12Å; L132-K134 PolarHBondContact O-N 3.14Å; L132-T135 CarbonylContact O-C 3.55Å; L132-T135 WeakPolarHBondContact O-CA 3.14Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.98Å; L132-K136 PolarHBondContact O-N 2.86Å
133E89.1Confident84.9Confident95 Ų9585.7 Ų85.744%0.44440%0.399SS..Hα-helixtrans-60.2-29.7178.5-75.4-172.1119.500113.3V129 T135 K136V129-E133 HydrophobicContact CG1-CG 4.28Å; V129-E133 WeakPolarHBondContact O-CG 3.38Å; V129-E133 PolarHBondContact O-N 2.97Å; E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 2.94Å; E133-K136 WeakPolarHBondContact O-CB 3.11Å; E133-K136 PolarHBondContact O-N 2.93Å
134K89.9Confident83.7Confident179 Ų17981 Ų8178%0.77839%0.387SS*.Hα-helixtrans-66.5-28.2172.4-72.7172-177.6-177.40113.3N130 R131 L132 K136N130-K134 WeakPolarHBondContact O-CG 3.28Å; N130-K134 PolarHBondContact O-N 2.79Å; R131-K134 WeakPolarHBondContact O-CB 3.17Å; R131-K134 PolarHBondContact O-N 3.2Å; L132-K134 PolarHBondContact O-N 3.14Å; K134-K136 VanDerWaalsContact C-N 3.31Å
135T89.9Confident82.9Confident45 Ų4580.2 Ų80.228%0.27640%0.395SS..THydrogen-bonded Turntrans-92.98.1177.468.20000112.7T6 L132 E133 E137T6-T135 PolarHBondContact N-OG1 2.89Å; T6-T135 VanDerWaalsContact N-OG1 3.09Å; T6-T135 PolarHBondContact O-OG1 3.02Å; L132-T135 CarbonylContact O-C 3.55Å; L132-T135 WeakPolarHBondContact O-CA 3.14Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.98Å; E133-T135 VanDerWaalsContact C-N 3.26Å; E133-T135 PolarHBondContact O-N 2.94Å; T135-E137 PolarHBondContact O-N 3.42Å
136K89.8Confident82Confident76 Ų7681.7 Ų81.733%0.3340%0.4SS..  trans-67.5118.7-179-174.7-171.7179.1-150.70109.9F3 Y4 F5 L132 E133 K134 E138F3-K136 HydrophobicContact CD1-CD 4.46Å; Y4-K136 CarbonylContact O-C 3.53Å; Y4-K136 VanDerWaalsContact O-CA 3.31Å; Y4-K136 WeakPolarHBondContact O-CA 3.43Å; F5-K136 HydrophobicContact CD1-CB 3.9Å; F5-K136 HydrophobicContact CD1-CG 4.19Å; F5-K136 HydrophobicContact CE1-CB 3.65Å; F5-K136 HydrophobicContact CE1-CD 4.1Å; F5-K136 HydrophobicContact CE1-CG 3.59Å; F5-K136 HydrophobicContact CZ-CD 4.37Å; F5-K136 HydrophobicContact CZ-CG 4Å; L132-K136 PolarHBondContact O-N 2.86Å; E133-K136 WeakPolarHBondContact O-CB 3.11Å; E133-K136 PolarHBondContact O-N 2.93Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K136-E138 IonicContact NZ-OE1 3.41Å; K136-E138 PolarHBondContact NZ-OE1 2.99Å
137E89.3Confident81.2Confident95 Ų9579.8 Ų79.844%0.44439%0.388SS..EExtended strand (participates in β ladder)trans-111.5134.1168.4-63.7-161.9144.400109.9F3 Y4 T135 R139F3-E137 WeakPolarHBondContact CA-O 3.15Å; Y4-E137 PolarHBondContact N-O 3.11Å; Y4-E137 PolarHBondContact O-N 3.23Å; T135-E137 PolarHBondContact O-N 3.42Å; E137-R139 IonicContact OE1-NH2 2.63Å; E137-R139 IonicContact OE2-CZ 2.81Å; E137-R139 IonicContact OE2-NE 2.77Å; E137-R139 PolarHBondContact OE2-NE 3.44Å; E137-R139 IonicContact OE2-NH2 3.57Å; E137-R139 PolarHBondContact OE2-NH2 2.96Å
138E87.8Confident80.2Confident104 Ų10478.3 Ų78.349%0.48638%0.381SS..EExtended strand (participates in β ladder)trans-96.9121.4173.8-44.9-162.8159.600108.3F3 K136F3-E138 HydrophobicContact CD1-CB 4.31Å; F3-E138 HydrophobicContact CD1-CG 3.81Å; F3-E138 HydrophobicContact CE1-CB 4.41Å; F3-E138 HydrophobicContact CE1-CG 3.79Å; F3-E138 VanDerWaalsContact CE1-OE1 3.27Å; F3-E138 WeakPolarHBondContact CE1-OE1 3.29Å; K136-E138 IonicContact NZ-OE1 3.41Å; K136-E138 PolarHBondContact NZ-OE1 2.99Å
139R81.9Confident79.5Confident131 Ų13180 Ų8049%0.49440%0.399SS..EExtended strand (participates in β ladder)trans-126.8154.7-179.3-60.3-69.9-166.7158.22.2110.3V2 Y4 E137 P141V2-R139 PolarHBondContact N-O 3.44Å; V2-R139 PolarHBondContact O-N 3.04Å; Y4-R139 HydrophobicContact CD2-CB 3.75Å; Y4-R139 HydrophobicContact CD2-CG 3.68Å; Y4-R139 HydrophobicContact CE2-CB 3.69Å; Y4-R139 HydrophobicContact CE2-CG 4.02Å; E137-R139 IonicContact OE1-NH2 2.63Å; E137-R139 IonicContact OE2-CZ 2.81Å; E137-R139 IonicContact OE2-NE 2.77Å; E137-R139 PolarHBondContact OE2-NE 3.44Å; E137-R139 IonicContact OE2-NH2 3.57Å; E137-R139 PolarHBondContact OE2-NH2 2.96Å; R139-P141 VanDerWaalsContact O-CD 3.25Å; R139-P141 WeakPolarHBondContact O-CD 3.17Å
140F74.9Confident78.7Confident155 Ų15581.2 Ų81.268%0.6840%0.403SS*.  trans-115.768.5168.7-63.7-94.1000108.1M1M1-F140 HydrophobicContact CB-CD1 4.11Å; M1-F140 HydrophobicContact CB-CE1 3.59Å; M1-F140 HydrophobicContact CB-CZ 4.08Å; M1-F140 HydrophobicContact CG-CD1 4.46Å; M1-F140 HydrophobicContact CG-CE1 3.8Å; M1-F140 HydrophobicContact CG-CE2 4.36Å; M1-F140 HydrophobicContact CG-CZ 3.73Å; M1-F140 HydrophobicContact SD-CE1 4.15Å; M1-F140 HydrophobicContact SD-CZ 3.74Å
141P69.9Low77.8Confident30 Ų3080.1 Ų80.120%0.19540%0.397CS..  trans-68.9134.9-179.530.4-35.7000110.2V2 Y4 R139 L143 E146V2-P141 HydrophobicContact CB-CG 4.03Å; V2-P141 HydrophobicContact CG2-CG 3.83Å; Y4-P141 HydrophobicContact CE2-CG 4.06Å; Y4-P141 WeakPolarHBondContact OH-CG 3.39Å; R139-P141 VanDerWaalsContact O-CD 3.25Å; R139-P141 WeakPolarHBondContact O-CD 3.17Å; P141-L143 HydrophobicContact CB-CD2 4.14Å; P141-L143 HydrophobicContact CB-CG 4.41Å; P141-L143 HydrophobicContact CG-CD2 3.83Å; P141-L143 HydrophobicContact CG-CG 4.07Å; P141-L143 PolarHBondContact O-N 3.08Å; P141-E146 WeakPolarHBondContact CB-OE2 3.29Å
142D72.1Confident76.9Confident131 Ų13180 Ų8070%0.70140%0.401SS*.  trans-76.777.8164.1-77.3-53.7000108.9A144 A145 E146D142-A144 PolarHBondContact O-N 3.45Å; D142-A144 VanDerWaalsContact O-N 3.08Å; D142-A145 HydrophobicContact CB-CB 4.01Å; D142-A145 WeakPolarHBondContact O-CB 3.4Å; D142-A145 PolarHBondContact O-N 2.83Å; D142-E146 PolarHBondContact O-N 2.79Å; D142-E146 VanDerWaalsContact O-N 3.12Å
143L66.8Low76.2Confident23 Ų2385.3 Ų85.312%0.1243%0.426CS..Hα-helixtrans-53.5-33.4-174.8-63.5165.8000113.1D27 L28 Y31 P141 K147D27-L143 HydrophobicContact CB-CD1 4.27Å; L28-L143 HydrophobicContact CD2-CD1 3.55Å; L28-L143 HydrophobicContact CD2-CD2 3.86Å; L28-L143 HydrophobicContact CD2-CG 4.37Å; L28-L143 HydrophobicContact CG-CD1 4.12Å; Y31-L143 HydrophobicContact CD2-CB 4Å; Y31-L143 HydrophobicContact CG-CB 4.15Å; P141-L143 HydrophobicContact CB-CD2 4.14Å; P141-L143 HydrophobicContact CB-CG 4.41Å; P141-L143 HydrophobicContact CG-CD2 3.83Å; P141-L143 HydrophobicContact CG-CG 4.07Å; P141-L143 PolarHBondContact O-N 3.08Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 PolarHBondContact O-N 3.11Å; L143-K147 VanDerWaalsContact O-N 3.11Å
144A62.8Low75.6Confident47 Ų4783.5 Ų83.539%0.38842%0.417SS..Hα-helixtrans-66.3-42176.800000112.3Y31 D142 E148Y31-A144 HydrophobicContact CD1-CB 4.15Å; Y31-A144 HydrophobicContact CE1-CB 3.79Å; Y31-A144 HydrophobicContact CE2-CB 4.31Å; D142-A144 PolarHBondContact O-N 3.45Å; D142-A144 VanDerWaalsContact O-N 3.08Å; A144-E148 WeakPolarHBondContact O-CB 3.41Å; A144-E148 PolarHBondContact O-N 3.27Å
145A66Low74.8Confident58 Ų5881.9 Ų81.948%0.47941%0.406SS..Hα-helixtrans-71.3-39.8179.700000111.5D142 E148 A149D142-A145 HydrophobicContact CB-CB 4.01Å; D142-A145 WeakPolarHBondContact O-CB 3.4Å; D142-A145 PolarHBondContact O-N 2.83Å; A145-E148 PolarHBondContact O-N 2.99Å; A145-A149 VanDerWaalsContact O-CB 3.32Å; A145-A149 WeakPolarHBondContact O-CB 3.41Å; A145-A149 PolarHBondContact O-N 2.72Å
146E69.3Low74.3Confident84 Ų8484.3 Ų84.339%0.39342%0.417SS..Hα-helixtrans-63.2-42175.8-71.5-171.69300112.1P141 D142 R150P141-E146 WeakPolarHBondContact CB-OE2 3.29Å; D142-E146 PolarHBondContact O-N 2.79Å; D142-E146 VanDerWaalsContact O-N 3.12Å; E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 2.99Å; E146-R150 VanDerWaalsContact O-N 3.13Å
147K69.8Low73.7Confident47 Ų4785 Ų8520%0.20442%0.422CS..Hα-helixtrans-66.2-45.1176.2-175.5170.1-178.2161.20111.7K30 Y31 G32 L143 A149 R150 D151K30-K147 PolarHBondContact O-NZ 3.4Å; Y31-K147 HydrophobicContact CD1-CD 4.18Å; G32-K147 PolarHBondContact O-NZ 2.89Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 PolarHBondContact O-N 3.11Å; L143-K147 VanDerWaalsContact O-N 3.11Å; K147-A149 PolarHBondContact O-N 3.33Å; K147-R150 PolarHBondContact O-N 3.37Å; K147-D151 WeakPolarHBondContact O-CB 3.08Å; K147-D151 PolarHBondContact O-N 2.73Å
148E68.6Low73.3Confident132 Ų13287.5 Ų87.562%0.61743%0.432SS*.Hα-helixtrans-64.3-41.8-179.9-173.5169.888.400112.2A144 A145 R150 D151 Q152A144-E148 WeakPolarHBondContact O-CB 3.41Å; A144-E148 PolarHBondContact O-N 3.27Å; A145-E148 PolarHBondContact O-N 2.99Å; E148-R150 PolarHBondContact O-N 3.12Å; E148-D151 PolarHBondContact O-N 3.09Å; E148-Q152 VanDerWaalsContact O-CB 3.25Å; E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3.33Å
149A72.9Confident73Confident59 Ų5988.6 Ų88.649%0.48844%0.435SS..Hα-helixtrans-60.6-45.4175.700000111.5A145 K147 Q152 E153A145-A149 VanDerWaalsContact O-CB 3.32Å; A145-A149 WeakPolarHBondContact O-CB 3.41Å; A145-A149 PolarHBondContact O-N 2.72Å; K147-A149 PolarHBondContact O-N 3.33Å; A149-Q152 PolarHBondContact O-N 3.27Å; A149-E153 WeakPolarHBondContact O-CB 3.45Å; A149-E153 PolarHBondContact O-N 3.31Å
150R70.6Confident73Confident26 Ų2684.9 Ų84.910%0.09843%0.432CS..Hα-helixtrans-65.2-46.5176.6-175.3179171170.11.8112.1E35 E146 K147 E148 Q152 E153 E154E35-R150 IonicContact OE1-NH2 2.98Å; E35-R150 IonicContact OE2-CZ 3.81Å; E35-R150 VanDerWaalsContact OE2-CZ 3.27Å; E35-R150 IonicContact OE2-NH1 2.72Å; E35-R150 PolarHBondContact OE2-NH1 2.93Å; E35-R150 IonicContact OE2-NH2 3.58Å; E35-R150 PolarHBondContact OE2-NH2 2.99Å; E146-R150 WeakPolarHBondContact O-CB 3.36Å; E146-R150 PolarHBondContact O-N 2.99Å; E146-R150 VanDerWaalsContact O-N 3.13Å; K147-R150 PolarHBondContact O-N 3.37Å; E148-R150 PolarHBondContact O-N 3.12Å; R150-Q152 PolarHBondContact O-N 3Å; R150-E153 PolarHBondContact O-N 3.03Å; R150-E153 VanDerWaalsContact O-N 3.16Å; R150-E154 HydrophobicContact CG-CG 4.48Å; R150-E154 IonicContact CZ-OE1 3.59Å; R150-E154 IonicContact NE-OE1 2.95Å; R150-E154 PolarHBondContact NE-OE1 3.29Å; R150-E154 IonicContact NH2-OE1 3.82Å; R150-E154 PolarHBondContact NH2-OE1 2.84Å; R150-E154 PolarHBondContact O-N 3.18Å
151D71.8Confident73.3Confident62 Ų6283.6 Ų83.633%0.33243%0.428SS..Hα-helixtrans-62.1-34.7178-78.6-19.9000111.2K147 E148 R155K147-D151 WeakPolarHBondContact O-CB 3.08Å; K147-D151 PolarHBondContact O-N 2.73Å; E148-D151 PolarHBondContact O-N 3.09Å; D151-R155 WeakPolarHBondContact O-CB 3.38Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.92Å
152Q73.3Confident73.9Confident101 Ų10186.6 Ų86.647%0.47244%0.442SS..Hα-helixtrans-69.5-41.4174.3-173.4171.51.400112E148 A149 R150 R155 N156E148-Q152 VanDerWaalsContact O-CB 3.25Å; E148-Q152 WeakPolarHBondContact O-CB 3.41Å; E148-Q152 PolarHBondContact O-N 3.33Å; A149-Q152 PolarHBondContact O-N 3.27Å; R150-Q152 PolarHBondContact O-N 3Å; Q152-R155 PolarHBondContact O-N 2.72Å; Q152-N156 WeakPolarHBondContact O-CB 3.5Å; Q152-N156 PolarHBondContact O-N 3.5Å; Q152-N156 PolarHBondContact O-ND2 2.81Å
153E74.1Confident74.5Confident111 Ų11186 Ų8652%0.51944%0.435SS..Hα-helixtrans-62.3-49.6174.3-168.8172.395.500110.9A149 R150 R155 N156 E157A149-E153 WeakPolarHBondContact O-CB 3.45Å; A149-E153 PolarHBondContact O-N 3.31Å; R150-E153 PolarHBondContact O-N 3.03Å; R150-E153 VanDerWaalsContact O-N 3.16Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 3.48Å; E153-N156 CarbonylContact O-C 3.52Å; E153-N156 WeakPolarHBondContact O-CB 3.5Å; E153-N156 PolarHBondContact O-N 3.48Å; E153-E157 HydrophobicContact CG-CG 4.47Å; E153-E157 WeakPolarHBondContact O-CG 3.22Å; E153-E157 PolarHBondContact O-N 2.97Å
154E75.8Confident75.5Confident58 Ų5889.2 Ų89.227%0.27145%0.449SS..Hα-helixtrans-62.5-36.9178.5-72.8-173-174.500112.1R150 K158R150-E154 HydrophobicContact CG-CG 4.48Å; R150-E154 IonicContact CZ-OE1 3.59Å; R150-E154 IonicContact NE-OE1 2.95Å; R150-E154 PolarHBondContact NE-OE1 3.29Å; R150-E154 IonicContact NH2-OE1 3.82Å; R150-E154 PolarHBondContact NH2-OE1 2.84Å; R150-E154 PolarHBondContact O-N 3.18Å; E154-K158 WeakPolarHBondContact O-CB 3.34Å; E154-K158 PolarHBondContact O-N 2.95Å
155R74.2Confident76.5Confident144 Ų14492.6 Ų92.654%0.54346%0.457SS..Hα-helixtrans-65.4-42.6172.4-78.9-172.2-58.9-101.43.4111.8D151 Q152 E153 K159D151-R155 WeakPolarHBondContact O-CB 3.38Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.92Å; Q152-R155 PolarHBondContact O-N 2.72Å; E153-R155 VanDerWaalsContact C-N 3.31Å; E153-R155 PolarHBondContact O-N 3.48Å; R155-K159 VanDerWaalsContact O-CB 3.25Å; R155-K159 WeakPolarHBondContact O-CB 3.42Å; R155-K159 PolarHBondContact O-N 3.13Å
156N78.3Confident77.5Confident96 Ų9695.5 Ų95.551%0.51346%0.459SS..Hα-helixtrans-67.1-43.6178.8-77.1-13.2000111.3Q152 E153 K159 A160Q152-N156 WeakPolarHBondContact O-CB 3.5Å; Q152-N156 PolarHBondContact O-N 3.5Å; Q152-N156 PolarHBondContact O-ND2 2.81Å; E153-N156 CarbonylContact O-C 3.52Å; E153-N156 WeakPolarHBondContact O-CB 3.5Å; E153-N156 PolarHBondContact O-N 3.48Å; N156-K159 PolarHBondContact O-N 3.29Å; N156-A160 WeakPolarHBondContact O-CB 3.29Å; N156-A160 PolarHBondContact O-N 3.49Å
157E77.9Confident78.4Confident91 Ų9198 Ų9843%0.42546%0.464SS..Hα-helixtrans-61.9-48.4175.2-73.4-173112.200111.4E153 K159 A160 Q161E153-E157 HydrophobicContact CG-CG 4.47Å; E153-E157 WeakPolarHBondContact O-CG 3.22Å; E153-E157 PolarHBondContact O-N 2.97Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.09Å; E157-A160 PolarHBondContact O-N 2.89Å; E157-Q161 WeakPolarHBondContact O-CB 3.49Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.27Å; E157-Q161 PolarHBondContact O-N 3.38Å
158K79.8Confident79.2Confident148 Ų148103.5 Ų103.564%0.64348%0.484SS*.Hα-helixtrans-59-41.3174.9-85.7-179.9176.61700112E154 L162E154-K158 WeakPolarHBondContact O-CB 3.34Å; E154-K158 PolarHBondContact O-N 2.95Å; K158-L162 WeakPolarHBondContact O-CB 3.33Å; K158-L162 PolarHBondContact O-N 3.31Å
159K81.7Confident80.2Confident127 Ų127101.8 Ų101.855%0.55248%0.476SS*.Hα-helixtrans-66.3-41.5177.6-171.1178.5178.9-175.50111.3R155 N156 E157 L162 Q163R155-K159 VanDerWaalsContact O-CB 3.25Å; R155-K159 WeakPolarHBondContact O-CB 3.42Å; R155-K159 PolarHBondContact O-N 3.13Å; N156-K159 PolarHBondContact O-N 3.29Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.09Å; K159-L162 PolarHBondContact O-N 3.43Å; K159-Q163 WeakPolarHBondContact O-CB 3.49Å; K159-Q163 VanDerWaalsContact O-CG 3.28Å; K159-Q163 WeakPolarHBondContact O-CG 3.25Å; K159-Q163 PolarHBondContact O-N 2.86Å
160A82.1Confident80.9Confident52 Ų52106.2 Ų106.243%0.4348%0.484SS..Hα-helixtrans-65.1-44.9176.500000111.6N156 E157 L162 Q163 E164N156-A160 WeakPolarHBondContact O-CB 3.29Å; N156-A160 PolarHBondContact O-N 3.49Å; E157-A160 PolarHBondContact O-N 2.89Å; A160-L162 PolarHBondContact O-N 2.98Å; A160-Q163 PolarHBondContact O-N 3.19Å; A160-E164 WeakPolarHBondContact O-CB 3.45Å; A160-E164 PolarHBondContact O-N 3.29Å
161Q82.8Confident81.8Confident128 Ų128110 Ų11060%0.59850%0.503SS*.Hα-helixtrans-60.7-45175.2-72.1176.512.600111.7E157 Q163 E164 Q165E157-Q161 WeakPolarHBondContact O-CB 3.49Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.27Å; E157-Q161 PolarHBondContact O-N 3.38Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.37Å; Q161-E164 PolarHBondContact O-N 3.47Å; Q161-Q165 WeakPolarHBondContact O-CB 3.31Å; Q161-Q165 PolarHBondContact O-N 3.27Å
162L81.6Confident82.6Confident93 Ų93112.5 Ų112.549%0.48751%0.513SS..Hα-helixtrans-66-37.8177.5-165.380.9000112K158 K159 A160 K166K158-L162 WeakPolarHBondContact O-CB 3.33Å; K158-L162 PolarHBondContact O-N 3.31Å; K159-L162 PolarHBondContact O-N 3.43Å; A160-L162 PolarHBondContact O-N 2.98Å; L162-K166 WeakPolarHBondContact O-CB 3.23Å; L162-K166 VanDerWaalsContact O-CG 3.32Å; L162-K166 WeakPolarHBondContact O-CG 3.4Å; L162-K166 PolarHBondContact O-N 3.27Å
163Q84.9Confident83.2Confident119 Ų119113.5 Ų113.556%0.55652%0.517SS*.Hα-helixtrans-66.7-42.6174.9-79.1-179.7-11.800111.7K159 A160 Q161 K166 R167K159-Q163 WeakPolarHBondContact O-CB 3.49Å; K159-Q163 VanDerWaalsContact O-CG 3.28Å; K159-Q163 WeakPolarHBondContact O-CG 3.25Å; K159-Q163 PolarHBondContact O-N 2.86Å; A160-Q163 PolarHBondContact O-N 3.19Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.37Å; Q163-K166 PolarHBondContact O-N 3.41Å; Q163-R167 WeakPolarHBondContact O-CB 3.28Å; Q163-R167 PolarHBondContact O-N 2.92Å
164E86.6Confident83.9Confident90 Ų90114.5 Ų114.542%0.42152%0.52SS..Hα-helixtrans-64.5-44.2177.1-172.458.6-15400111.4A160 Q161 R167 R168A160-E164 WeakPolarHBondContact O-CB 3.45Å; A160-E164 PolarHBondContact O-N 3.29Å; Q161-E164 PolarHBondContact O-N 3.47Å; E164-R167 PolarHBondContact O-N 3.44Å; E164-R167 IonicContact OE1-CZ 2.72Å; E164-R167 IonicContact OE1-NE 2.89Å; E164-R167 IonicContact OE1-NH2 2.82Å; E164-R167 PolarHBondContact OE1-NH2 3.32Å; E164-R167 IonicContact OE2-CZ 2.94Å; E164-R167 IonicContact OE2-NE 3.01Å; E164-R167 PolarHBondContact OE2-NE 3.16Å; E164-R167 IonicContact OE2-NH2 2.79Å; E164-R167 PolarHBondContact OE2-NH2 3.27Å; E164-R168 WeakPolarHBondContact O-CB 3.01Å; E164-R168 PolarHBondContact O-N 3.45Å
165Q84.4Confident84.5Confident119 Ų119118 Ų11856%0.55654%0.535SS*.Hα-helixtrans-61.1-47.7176.5-165.7175.411.300111Q161 R167 R168 E169Q161-Q165 WeakPolarHBondContact O-CB 3.31Å; Q161-Q165 PolarHBondContact O-N 3.27Å; Q165-R167 VanDerWaalsContact C-N 3.3Å; Q165-R167 PolarHBondContact O-N 3.47Å; Q165-R168 PolarHBondContact O-N 3.13Å; Q165-E169 WeakPolarHBondContact O-CG 2.96Å; Q165-E169 PolarHBondContact O-N 3.28Å
166K88.3Confident85.1Confident118 Ų118118.2 Ų118.251%0.51354%0.539SS..Hα-helixtrans-61.4-36.2174.9-77.7-178.9179.8-176.90113L162 Q163 K170L162-K166 WeakPolarHBondContact O-CB 3.23Å; L162-K166 VanDerWaalsContact O-CG 3.32Å; L162-K166 WeakPolarHBondContact O-CG 3.4Å; L162-K166 PolarHBondContact O-N 3.27Å; Q163-K166 PolarHBondContact O-N 3.41Å; K166-K170 WeakPolarHBondContact O-CB 3.26Å; K166-K170 WeakPolarHBondContact O-CG 3.37Å; K166-K170 PolarHBondContact O-N 3.27Å
167R87.6Confident85.4Confident136 Ų136120.2 Ų120.251%0.51354%0.543SS..Hα-helixtrans-67-46.6176.9-173.9175.670.3161.85.4110.4Q163 E164 Q165 K170 E171Q163-R167 WeakPolarHBondContact O-CB 3.28Å; Q163-R167 PolarHBondContact O-N 2.92Å; E164-R167 PolarHBondContact O-N 3.44Å; E164-R167 IonicContact OE1-CZ 2.72Å; E164-R167 IonicContact OE1-NE 2.89Å; E164-R167 IonicContact OE1-NH2 2.82Å; E164-R167 PolarHBondContact OE1-NH2 3.32Å; E164-R167 IonicContact OE2-CZ 2.94Å; E164-R167 IonicContact OE2-NE 3.01Å; E164-R167 PolarHBondContact OE2-NE 3.16Å; E164-R167 IonicContact OE2-NH2 2.79Å; E164-R167 PolarHBondContact OE2-NH2 3.27Å; Q165-R167 VanDerWaalsContact C-N 3.3Å; Q165-R167 PolarHBondContact O-N 3.47Å; R167-K170 PolarHBondContact O-N 3.07Å; R167-E171 PolarHBondContact O-N 3.31Å
168R87.1Confident85.7Confident164 Ų164120.1 Ų120.162%0.61954%0.543SS*.Hα-helixtrans-62.1-43.8177.9-165.4173.4179.5170.92.5112E164 Q165 K170 E171 E172E164-R168 WeakPolarHBondContact O-CB 3.01Å; E164-R168 PolarHBondContact O-N 3.45Å; Q165-R168 PolarHBondContact O-N 3.13Å; R168-K170 PolarHBondContact O-N 2.89Å; R168-E171 PolarHBondContact O-N 2.97Å; R168-E172 WeakPolarHBondContact O-CB 3.27Å; R168-E172 WeakPolarHBondContact O-CG 3.42Å; R168-E172 PolarHBondContact O-N 2.87Å
169E87.9Confident85.7Confident96 Ų96119 Ų11945%0.44954%0.541SS..Hα-helixtrans-61.4-42174.2-72.6176.712400112.1Q165 E172 Q173Q165-E169 WeakPolarHBondContact O-CG 2.96Å; Q165-E169 PolarHBondContact O-N 3.28Å; E169-E172 PolarHBondContact O-N 3.32Å; E169-Q173 WeakPolarHBondContact O-CB 3.42Å; E169-Q173 VanDerWaalsContact O-CG 3.29Å; E169-Q173 WeakPolarHBondContact O-CG 3.5Å; E169-Q173 PolarHBondContact O-N 3.01Å
170K88.6Confident85.6Confident152 Ų152118.3 Ų118.366%0.66154%0.54SS*.Hα-helixtrans-64.4-41.7175.5-83.5-176.7175.9-176.30112.5K166 R167 R168 Q173 K174K166-K170 WeakPolarHBondContact O-CB 3.26Å; K166-K170 WeakPolarHBondContact O-CG 3.37Å; K166-K170 PolarHBondContact O-N 3.27Å; R167-K170 PolarHBondContact O-N 3.07Å; R168-K170 PolarHBondContact O-N 2.89Å; K170-Q173 PolarHBondContact O-N 2.85Å; K170-K174 WeakPolarHBondContact O-CB 3.24Å; K170-K174 PolarHBondContact O-N 3.33Å
171E88.7Confident85.5Confident104 Ų104122.6 Ų122.649%0.48655%0.551SS.*Hα-helixtrans-66.3-41.3177.1-76.1-178-177.900112R167 R168 K174 K175R167-E171 PolarHBondContact O-N 3.31Å; R168-E171 PolarHBondContact O-N 2.97Å; E171-K174 PolarHBondContact O-N 3.43Å; E171-K175 WeakPolarHBondContact O-CB 3.35Å; E171-K175 WeakPolarHBondContact O-CG 3.46Å; E171-K175 PolarHBondContact O-N 3.3Å
172E88.8Confident84.9Confident116 Ų116122.5 Ų122.554%0.54255%0.554SS.*Hα-helixtrans-64-42174.6-77.5178.9179.200111.8R168 E169 K174 K175 K176R168-E172 WeakPolarHBondContact O-CB 3.27Å; R168-E172 WeakPolarHBondContact O-CG 3.42Å; R168-E172 PolarHBondContact O-N 2.87Å; E169-E172 PolarHBondContact O-N 3.32Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 2.85Å; E172-K175 PolarHBondContact O-N 3.12Å; E172-K176 VanDerWaalsContact O-CB 3.29Å; E172-K176 WeakPolarHBondContact O-CB 3.12Å; E172-K176 PolarHBondContact O-N 2.81Å
173Q87.2Confident84.4Confident121 Ų121128.3 Ų128.357%0.56557%0.57SS**Hα-helixtrans-62.5-41.2173.7-75.8179.412.100112.2E169 K170 K176 K177E169-Q173 WeakPolarHBondContact O-CB 3.42Å; E169-Q173 VanDerWaalsContact O-CG 3.29Å; E169-Q173 WeakPolarHBondContact O-CG 3.5Å; E169-Q173 PolarHBondContact O-N 3.01Å; K170-Q173 PolarHBondContact O-N 2.85Å; Q173-K176 PolarHBondContact O-N 2.86Å; Q173-K177 WeakPolarHBondContact O-CG 3.5Å; Q173-K177 PolarHBondContact O-N 3.29Å
174K88.4Confident83.5Confident133 Ų133127.2 Ų127.258%0.57857%0.567SS**Hα-helixtrans-65.9-47.7178.1-166.8-176.8175.4-168.50111.3K170 E171 E172 K176 K177 E178K170-K174 WeakPolarHBondContact O-CB 3.24Å; K170-K174 PolarHBondContact O-N 3.33Å; E171-K174 PolarHBondContact O-N 3.43Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 2.85Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.94Å; K174-K177 PolarHBondContact O-N 2.92Å; K174-E178 WeakPolarHBondContact O-CG 3.25Å; K174-E178 PolarHBondContact O-N 3.24Å
175K88.3Confident82Confident132 Ų132130.5 Ų130.557%0.57458%0.577SS**Hα-helixtrans-59.5-40.1175.3-76179.6179.5175.60112.2E171 E172 E178 M179E171-K175 WeakPolarHBondContact O-CB 3.35Å; E171-K175 WeakPolarHBondContact O-CG 3.46Å; E171-K175 PolarHBondContact O-N 3.3Å; E172-K175 PolarHBondContact O-N 3.12Å; K175-E178 PolarHBondContact O-N 2.83Å; K175-M179 VanDerWaalsContact O-CB 3.24Å; K175-M179 WeakPolarHBondContact O-CB 3.3Å; K175-M179 PolarHBondContact O-N 3.42Å
176K87.1Confident80.5Confident148 Ų148129.6 Ų129.664%0.64358%0.58SS**Hα-helixtrans-65-42.4177.3-168.5176.5179.3-176.80111.4E172 Q173 K174 M179 E180E172-K176 VanDerWaalsContact O-CB 3.29Å; E172-K176 WeakPolarHBondContact O-CB 3.12Å; E172-K176 PolarHBondContact O-N 2.81Å; Q173-K176 PolarHBondContact O-N 2.86Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 2.94Å; K176-M179 PolarHBondContact O-N 2.9Å; K176-E180 VanDerWaalsContact O-CB 3.28Å; K176-E180 WeakPolarHBondContact O-CB 3.32Å; K176-E180 PolarHBondContact O-N 3.23Å
177K84.9Confident78.8Confident138 Ų138128.6 Ų128.660%0.659%0.588SS**Hα-helixtrans-62.9-48.9173.7-74.7179.8180-174.30111.9Q173 K174 M179 E180 E181Q173-K177 WeakPolarHBondContact O-CG 3.5Å; Q173-K177 PolarHBondContact O-N 3.29Å; K174-K177 PolarHBondContact O-N 2.92Å; K177-M179 VanDerWaalsContact C-N 3.29Å; K177-M179 PolarHBondContact O-N 3.21Å; K177-E180 CarbonylContact O-C 3.52Å; K177-E180 PolarHBondContact O-N 3.3Å; K177-E180 VanDerWaalsContact O-N 3.13Å; K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 WeakPolarHBondContact O-CG 3.31Å; K177-E181 PolarHBondContact O-N 3.22Å
178E83.4Confident77.1Confident88 Ų88127.8 Ų127.841%0.41159%0.593SS.*Hα-helixtrans-59.7-40177.8-73.3172.7135.500111.6K174 K175 E181 L182K174-E178 WeakPolarHBondContact O-CG 3.25Å; K174-E178 PolarHBondContact O-N 3.24Å; K175-E178 PolarHBondContact O-N 2.83Å; E178-E181 PolarHBondContact O-N 3.01Å; E178-L182 WeakPolarHBondContact O-CB 3.41Å; E178-L182 PolarHBondContact O-N 3.27Å
179M78.6Confident75.4Confident124 Ų124126.4 Ų126.461%0.61160%0.595SS**Hα-helixtrans-70.1-36.1176.7-159.1-168.9-55.400112.3K175 K176 K177 R183K175-M179 VanDerWaalsContact O-CB 3.24Å; K175-M179 WeakPolarHBondContact O-CB 3.3Å; K175-M179 PolarHBondContact O-N 3.42Å; K176-M179 PolarHBondContact O-N 2.9Å; K177-M179 VanDerWaalsContact C-N 3.29Å; K177-M179 PolarHBondContact O-N 3.21Å; M179-R183 WeakPolarHBondContact O-CB 3.44Å; M179-R183 PolarHBondContact O-N 3.41Å
180E80.6Confident73.9Confident114 Ų114127.3 Ų127.353%0.53360%0.598SS.*Hα-helixtrans-70.3-36.9174.5-166.7173.6106.300111.6K176 K177 R183 N184K176-E180 VanDerWaalsContact O-CB 3.28Å; K176-E180 WeakPolarHBondContact O-CB 3.32Å; K176-E180 PolarHBondContact O-N 3.23Å; K177-E180 CarbonylContact O-C 3.52Å; K177-E180 PolarHBondContact O-N 3.3Å; K177-E180 VanDerWaalsContact O-N 3.13Å; E180-R183 PolarHBondContact O-N 2.8Å; E180-N184 VanDerWaalsContact O-CB 3.29Å; E180-N184 WeakPolarHBondContact O-CB 3.43Å; E180-N184 PolarHBondContact O-N 3.21Å; E180-N184 PolarHBondContact O-ND2 3.47Å
181E79.1Confident72.3Confident141 Ų141124.9 Ų124.966%0.65960%0.6SS**Hα-helixtrans-68.1-38.7171.9-73.6179.4132.100111.9K177 E178 N184K177-E181 WeakPolarHBondContact O-CB 3.19Å; K177-E181 WeakPolarHBondContact O-CG 3.31Å; K177-E181 PolarHBondContact O-N 3.22Å; E178-E181 PolarHBondContact O-N 3.01Å; E181-N184 CarbonylContact O-C 3.56Å
182L71.8Confident70.7Confident126 Ų126128 Ų12866%0.6661%0.614SS**Hα-helixtrans-67.8-33.2171.5-103.3133.9000112.5E178 Y185E178-L182 WeakPolarHBondContact O-CB 3.41Å; E178-L182 PolarHBondContact O-N 3.27Å; L182-Y185 WeakPolarHBondContact O-CD2 3.27Å; L182-Y185 VanDerWaalsContact O-CE2 3.27Å; L182-Y185 WeakPolarHBondContact O-CE2 3.39Å
183R70.6Confident69.1Low216 Ų216128.8 Ų128.882%0.81562%0.623SS**Hα-helixtrans-74.3-40.2174.5-105.7-178.2169177.7-2.7112.1M179 E180 Y185M179-R183 WeakPolarHBondContact O-CB 3.44Å; M179-R183 PolarHBondContact O-N 3.41Å; E180-R183 PolarHBondContact O-N 2.8Å; R183-Y185 VanDerWaalsContact C-N 3.29Å; R183-Y185 PolarHBondContact O-N 3.05Å
184N65.9Low67.6Low95 Ų95128.9 Ų128.951%0.50862%0.624SS.*SBendtrans-78.581.9172.2-82.9-46000109E180 E181 T186E180-N184 VanDerWaalsContact O-CB 3.29Å; E180-N184 WeakPolarHBondContact O-CB 3.43Å; E180-N184 PolarHBondContact O-N 3.21Å; E180-N184 PolarHBondContact O-ND2 3.47Å; E181-N184 CarbonylContact O-C 3.56Å; N184-T186 PolarHBondContact O-N 3.26Å
185Y54.5Low66.2Low159 Ų159132 Ų13262%0.62464%0.638SS**G310 helixtrans-59.833.8171.8-100.5-113.6000114.2L182 R183 S187 L188L182-Y185 WeakPolarHBondContact O-CD2 3.27Å; L182-Y185 VanDerWaalsContact O-CE2 3.27Å; L182-Y185 WeakPolarHBondContact O-CE2 3.39Å; R183-Y185 VanDerWaalsContact C-N 3.29Å; R183-Y185 PolarHBondContact O-N 3.05Å; Y185-S187 VanDerWaalsContact C-N 3.3Å; Y185-S187 PolarHBondContact O-N 3.21Å; Y185-L188 HydrophobicContact CD1-CB 3.92Å; Y185-L188 HydrophobicContact CD1-CD1 3.18Å; Y185-L188 HydrophobicContact CD1-CG 4.15Å; Y185-L188 HydrophobicContact CE1-CD1 3.06Å; Y185-L188 HydrophobicContact CE1-CG 4.39Å; Y185-L188 HydrophobicContact CG-CD1 4.26Å; Y185-L188 PolarHBondContact O-N 3.31Å
186T53.6Low64.9Low100 Ų100132 Ų13261%0.61365%0.649SS**G310 helixtrans-70.6-26.2179.6-35.20000111.8N184 L188 M189N184-T186 PolarHBondContact O-N 3.26Å; T186-L188 VanDerWaalsContact C-N 3.28Å; T186-L188 PolarHBondContact O-N 3.41Å; T186-M189 PolarHBondContact O-N 3.43Å
187S53.5Low63.5Low97 Ų97132.1 Ų132.168%0.67866%0.657SS**G310 helixtrans-72.6-19175.8-160.10000113.5Y185Y185-S187 VanDerWaalsContact C-N 3.3Å; Y185-S187 PolarHBondContact O-N 3.21Å
188L50.9Low62Low119 Ų119134.3 Ų134.362%0.62367%0.669SS**G310 helixtrans-91.3-9.2173.6-87.7156.6000113.4Y185 T186Y185-L188 HydrophobicContact CD1-CB 3.92Å; Y185-L188 HydrophobicContact CD1-CD1 3.18Å; Y185-L188 HydrophobicContact CD1-CG 4.15Å; Y185-L188 HydrophobicContact CE1-CD1 3.06Å; Y185-L188 HydrophobicContact CE1-CG 4.39Å; Y185-L188 HydrophobicContact CG-CD1 4.26Å; Y185-L188 PolarHBondContact O-N 3.31Å; T186-L188 VanDerWaalsContact C-N 3.28Å; T186-L188 PolarHBondContact O-N 3.41Å
189M51.1Low60.4Low136 Ų136136.7 Ų136.767%0.6769%0.685SS**  trans-101.737.9173.2-77.3-91.4-171.900111.3T186 M194T186-M189 PolarHBondContact O-N 3.43Å; M189-M194 HydrophobicContact SD-CE 3.55Å; M189-M194 VanDerWaalsContact SD-CE 3.55Å
190K56.5Low59.3Low115 Ų115134 Ų13450%0.569%0.689SS.*  trans-77.3126.3164.7-75.3-173.7178.6-174.60108.8E192 N193K190-E192 PolarHBondContact O-N 2.7Å; K190-N193 PolarHBondContact O-N 3.35Å
191S54.8Low57.8Low101 Ų101138.2 Ų138.271%0.70670%0.702SS**G310 helixtrans-56.3-20.7177.449.50000113.8N193 M194S191-N193 VanDerWaalsContact C-N 3.29Å; S191-N193 PolarHBondContact O-N 2.81Å; S191-M194 PolarHBondContact O-N 3.25Å
192E54.9Low56.6Low168 Ų168139.5 Ų139.579%0.78571%0.713SS**G310 helixtrans-67.5-22.7175.3-66.7-179.398.800114.1K190K190-E192 PolarHBondContact O-N 2.7Å
193N54.8Low55.4Low134 Ų134137.8 Ų137.872%0.71771%0.712SS**G310 helixtrans-103.12.6179.1-81.4-12.1000113.5K190 S191 K195K190-N193 PolarHBondContact O-N 3.35Å; S191-N193 VanDerWaalsContact C-N 3.29Å; S191-N193 PolarHBondContact O-N 2.81Å; N193-K195 PolarHBondContact O-N 3.48Å
194M57.2Low54.3Low122 Ų122135.1 Ų135.160%0.60171%0.714SS**  trans-84.9108.9174-75.5-175.7164.400109.6M189 S191M189-M194 HydrophobicContact SD-CE 3.55Å; M189-M194 VanDerWaalsContact SD-CE 3.55Å; S191-M194 PolarHBondContact O-N 3.25Å
195K58.6Low53.5Low198 Ų198138.2 Ų138.286%0.86173%0.73SS**  trans-86.8120164.1-72.2-173.4177.8-175.70108.8N193N193-K195 PolarHBondContact O-N 3.48Å
196T60.6Low53Low132 Ų132139.5 Ų139.581%0.8174%0.739SS**  trans-71.2124.7169.222.80000109.8E198T196-E198 PolarHBondContact O-N 3.16Å
197N57.1Low52.5Low152 Ų152146 Ų14681%0.81377%0.765SS**  trans-84.142.7170.9-82.32.8000111.6D199N197-D199 PolarHBondContact O-N 2.64Å; N197-D199 VanDerWaalsContact O-N 3.11Å
198E54.6Low52.4Low183 Ų183148.5 Ų148.586%0.85577%0.77SS**  trans-8577.1170.1-164.4171.895.900108.2T196 G200T196-E198 PolarHBondContact O-N 3.16Å; E198-G200 VanDerWaalsContact C-N 3.27Å; E198-G200 PolarHBondContact O-N 2.77Å
199D49.1Very low52.5Low139 Ų139150 Ų15074%0.74378%0.777SS**  trans-70.989.1164.5-82.2-63.3000107.9N197 Y201N197-D199 PolarHBondContact O-N 2.64Å; N197-D199 VanDerWaalsContact O-N 3.11Å; D199-Y201 PolarHBondContact O-N 2.75Å
200G56.4Low52.6Low68 Ų68150.8 Ų150.870%0.70178%0.783SS**  trans-65.295.2163.400000110E198E198-G200 VanDerWaalsContact C-N 3.27Å; E198-G200 PolarHBondContact O-N 2.77Å
201Y49.2Very low52.4Low202 Ų202152.9 Ų152.979%0.79280%0.8SS**  trans-128.779.6161.3-100.8-89.9000108.6D199D199-Y201 PolarHBondContact O-N 2.75Å
202D53Low52.2Low167 Ų167156.1 Ų156.189%0.89381%0.806SS**  trans-10094.5158.3-160.716.9000106
203S46.6Very low52Low91 Ų91155.3 Ų155.364%0.63681%0.807SS**  trans-141.8101.4170.371.40000110.5
204D47.4Very low51.8Low160 Ų160156.9 Ų156.986%0.85681%0.814SS**  trans-5.5134155.2-81.1-29.8000118.7
205D48.9Very low51.4Low159 Ų159159.5 Ų159.585%0.8583%0.83SS**  -174.996.9118.4-160.727.7000111.9
206F43.6Very low50.8Low187 Ų187156.3 Ų156.382%0.8283%0.828SS**  trans-141.396.9158.7-168.5-93.9000110.3
207M43.2Very low49.9Very low236 Ų236158.5 Ų158.5100%1.16383%0.829SS**  trans59.70167.6-66.4-160.1-176.500119.2

Retrieved 207 of 207 residues in 150.8 ms (Link to these results)

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