A0A087YJL1_POEFO Loading...

General transcription factor IIH subunit 3

Component of the general transcription and DNA repair factor IIH (TFIIH) core complex, which is involved in general and transcription-coupled nucleotide excision repair (NER) of damaged DNA and, when complexed to CAK, in RNA transcription by RNA polymerase II. In NER, TFIIH acts by opening DNA around the lesion to allow the excision of the damaged oligonucleotide and its replacement by a new DNA fragment. In transcription, TFIIH has an essential role in transcription initiation. When the pre-initiation complex (PIC) has been established, TFIIH is required for promoter opening and promoter escape. Phosphorylation of the C-terminal tail (CTD) of the largest subunit of RNA polymerase II by the kinase module CAK controls the initiation of transcription.

AlphaFold DB , UniProt , Accession A0A087YJL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M30.7Very low60.2Low248 Ų24874.3 Ų74.3100%1.22243%0.431SS*.  084.10-81.1173.8159.300105.9S3M1-S3 PolarHBondContact O-N 3.38Å
2A34.2Very low62.6Low92 Ų9268.1 Ų68.176%0.7640%0.395SS*.  trans-69.3123.8171.500000106.9
3S38.9Very low64.7Low66 Ų6662.8 Ų62.846%0.46236%0.364SS..  trans-59.9143.9172.722.60000109.2M1 E5 D6M1-S3 PolarHBondContact O-N 3.38Å; S3-E5 PolarHBondContact O-N 3.22Å; S3-D6 PolarHBondContact O-N 3.4Å
4A49.4Very low66.5Low83 Ų8358.4 Ų58.469%0.68634%0.339SS*.THydrogen-bonded Turntrans-57.93.2174.900000114.8
5E49.8Very low68Low159 Ų15954.6 Ų54.674%0.74332%0.317SS*.THydrogen-bonded Turntrans-86.8-14.1174.8-60.5-170.8149.900113S3S3-E5 PolarHBondContact O-N 3.22Å
6D55.7Low69.2Low65 Ų6551.7 Ų51.735%0.34830%0.299SS..SBendtrans-99.41.2178.7-74-41.8000114S3 Q148S3-D6 PolarHBondContact O-N 3.4Å; D6-Q148 HydrophobicContact CB-CG 4.47Å
7E70.5Confident70Confident56 Ų5648.8 Ų48.826%0.26228%0.283SS..EExtended strand (participates in β ladder)trans-87.9120.4174.8-68.1-167.616800110.8T54 K151E7-T54 PolarHBondContact O-OG1 3.43Å; E7-K151 VanDerWaalsContact CD-NZ 3.29Å; E7-K151 IonicContact OE1-NZ 2.77Å; E7-K151 PolarHBondContact OE1-NZ 2.77Å; E7-K151 IonicContact OE2-NZ 3.96Å; E7-K151 PolarHBondContact OE2-NZ 3.15Å
8L77.8Confident70.6Confident16 Ų1646.3 Ų46.38%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-101.7113.9174.9-165.5146.1000109.9L10 R56 L144 E149 M150 K151L8-L10 HydrophobicContact CD2-CB 4.32Å; L8-R56 HydrophobicContact CD2-CG 4.43Å; L8-L144 HydrophobicContact CD1-CD1 4.36Å; L8-L144 HydrophobicContact CD1-CD2 3.74Å; L8-E149 PolarHBondContact N-O 2.72Å; L8-E149 VanDerWaalsContact N-O 3.09Å; L8-M150 HydrophobicContact CD2-CE 4.11Å; L8-M150 HydrophobicContact CD2-CG 4.04Å; L8-M150 CarbonylContact O-C 3.43Å; L8-M150 WeakPolarHBondContact O-CA 3.37Å; L8-K151 PolarHBondContact O-N 3.04Å
9N81.9Confident70.9Confident23 Ų2345.5 Ų45.512%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-95115.9174.5-52.2-58.6000110.2N55 R56 K151N9-N55 WeakPolarHBondContact CB-OD1 3.37Å; N9-N55 PolarHBondContact ND2-OD1 2.89Å; N9-N55 VanDerWaalsContact ND2-OD1 3.14Å; N9-N55 CarbonylContact O-C 3.46Å; N9-N55 WeakPolarHBondContact O-CA 3.47Å; N9-R56 PolarHBondContact O-N 3.5Å; N9-K151 CarbonylContact C-O 3.51Å; N9-K151 WeakPolarHBondContact CA-O 3.46Å; N9-K151 WeakPolarHBondContact OD1-CB 3.26Å
10L85.9Confident71.2Confident2 Ų245.8 Ų45.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-103.1118.4171.8176.664000109.7L8 V12 R56 Y136 I137 M150 K151 S152 R153L8-L10 HydrophobicContact CD2-CB 4.32Å; L10-V12 HydrophobicContact CD2-CG2 4.19Å; L10-V12 HydrophobicContact CG-CG2 4.12Å; L10-R56 WeakPolarHBondContact CA-O 3.5Å; L10-R56 HydrophobicContact CD1-CB 3.65Å; L10-Y136 HydrophobicContact CD1-CE1 4.18Å; L10-Y136 HydrophobicContact CD2-CD1 4.18Å; L10-Y136 HydrophobicContact CD2-CE1 3.98Å; L10-I137 HydrophobicContact CD2-CB 4.43Å; L10-I137 HydrophobicContact CD2-CG1 3.76Å; L10-M150 HydrophobicContact CB-CE 3.35Å; L10-M150 HydrophobicContact CD2-CE 3.18Å; L10-M150 HydrophobicContact CG-CE 3.86Å; L10-K151 PolarHBondContact N-O 3.43Å; L10-S152 WeakPolarHBondContact O-CA 3.4Å; L10-R153 PolarHBondContact O-N 2.82Å
11L86.9Confident71.5Confident7 Ų744.7 Ų44.74%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-101121.7169.2-178.563.6000109.4I13 M44 H48 R56 L57 A58 R153 L155L11-I13 HydrophobicContact CD2-CD1 4.17Å; L11-I13 HydrophobicContact CD2-CG1 4.14Å; L11-I13 HydrophobicContact CG-CG1 4.03Å; L11-M44 HydrophobicContact CD2-SD 4.05Å; L11-H48 VanDerWaalsContact CB-CE1 3.49Å; L11-H48 WeakPolarHBondContact CB-CE1 3.32Å; L11-H48 HydrophobicContact CD2-CB 4.1Å; L11-R56 PolarHBondContact N-O 2.94Å; L11-L57 HydrophobicContact CB-CD1 4.22Å; L11-L57 HydrophobicContact CD2-CD1 4.12Å; L11-L57 HydrophobicContact CG-CD1 4.21Å; L11-L57 CarbonylContact O-C 3.57Å; L11-L57 WeakPolarHBondContact O-CA 3.45Å; L11-A58 PolarHBondContact O-N 3.27Å; L11-R153 HydrophobicContact CD1-CB 4.19Å; L11-R153 HydrophobicContact CD1-CG 4.19Å; L11-L155 HydrophobicContact CD1-CB 4.44Å
12V89.7Confident73.8Confident0 Ų033.8 Ų33.80%020%0.201CC..EExtended strand (participates in β ladder)trans-105.4119.5170.1-169.80000108.8L10 A58 I60 A133 I137 R153 I154 L155L10-V12 HydrophobicContact CD2-CG2 4.19Å; L10-V12 HydrophobicContact CG-CG2 4.12Å; V12-A58 CarbonylContact C-O 3.54Å; V12-A58 VanDerWaalsContact CA-O 3.31Å; V12-A58 WeakPolarHBondContact CA-O 3.5Å; V12-A58 HydrophobicContact CG1-CB 4.18Å; V12-A58 HydrophobicContact CG2-CB 4.26Å; V12-I60 HydrophobicContact CG1-CD1 3.95Å; V12-I60 HydrophobicContact CG1-CG1 4.33Å; V12-A133 HydrophobicContact CG1-CB 3.79Å; V12-I137 HydrophobicContact CG2-CD1 3.84Å; V12-I137 HydrophobicContact CG2-CG1 3.84Å; V12-R153 PolarHBondContact N-O 2.47Å; V12-I154 HydrophobicContact CB-CG1 4.29Å; V12-I154 CarbonylContact O-C 3.58Å; V12-I154 VanDerWaalsContact O-CA 3.3Å; V12-I154 WeakPolarHBondContact O-CA 3.49Å; V12-L155 PolarHBondContact O-N 2.95Å
13I89.6Confident75.8Confident0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-102.4122175.7-53.2179.2000108.4L11 V15 V41 M44 L57 A58 V59 I60 L155 I157L11-I13 HydrophobicContact CD2-CD1 4.17Å; L11-I13 HydrophobicContact CD2-CG1 4.14Å; L11-I13 HydrophobicContact CG-CG1 4.03Å; I13-V15 HydrophobicContact CG2-CG2 3.81Å; I13-V41 HydrophobicContact CD1-CG1 4.12Å; I13-V41 HydrophobicContact CG2-CG1 3.91Å; I13-M44 HydrophobicContact CD1-CE 3.7Å; I13-M44 HydrophobicContact CD1-SD 4Å; I13-M44 HydrophobicContact CG1-CE 4.4Å; I13-L57 HydrophobicContact CD1-CD1 3.77Å; I13-L57 HydrophobicContact CG1-CD1 4Å; I13-A58 PolarHBondContact N-O 3.44Å; I13-V59 CarbonylContact O-C 3.53Å; I13-V59 WeakPolarHBondContact O-CA 3.4Å; I13-I60 PolarHBondContact O-N 2.77Å; I13-L155 CarbonylContact C-O 3.59Å; I13-L155 WeakPolarHBondContact CA-O 3.31Å; I13-L155 HydrophobicContact CG2-CD2 4.5Å; I13-I157 HydrophobicContact CG2-CD1 4.2Å
14V90.3Very high77.5Confident1 Ų132.8 Ų32.81%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-104114.9171.8-177.60000107.8I60 L126 L130 I154 L155 V156 I157V14-I60 CarbonylContact C-O 3.58Å; V14-I60 WeakPolarHBondContact CA-O 3.36Å; V14-I60 HydrophobicContact CG2-CB 4.42Å; V14-L126 HydrophobicContact CG1-CD1 3.99Å; V14-L130 HydrophobicContact CG2-CD2 4.32Å; V14-I154 HydrophobicContact CG2-CG2 4.26Å; V14-L155 PolarHBondContact N-O 3.49Å; V14-V156 HydrophobicContact CB-CG2 4.45Å; V14-I157 PolarHBondContact O-N 3.26Å
15V88.4Confident78.6Confident1 Ų129.1 Ų29.11%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-106.5127.3179.5-174.30000109.4I13 V17 L38 V41 V59 I60 A61 S62I13-V15 HydrophobicContact CG2-CG2 3.81Å; V15-V17 HydrophobicContact CB-CG2 4.49Å; V15-V17 HydrophobicContact CG1-CG2 4.2Å; V15-V17 PolarHBondContact O-N 2.83Å; V15-L38 HydrophobicContact CG1-CD2 4.21Å; V15-V41 HydrophobicContact CG2-CG1 4.03Å; V15-V41 HydrophobicContact CG2-CG2 4.44Å; V15-V59 HydrophobicContact CG2-CG1 4.35Å; V15-I60 PolarHBondContact N-O 2.83Å; V15-A61 WeakPolarHBondContact O-CA 3.44Å; V15-S62 PolarHBondContact O-N 2.89Å
16D86.9Confident79.5Confident8 Ų823.4 Ų23.44%0.04314%0.137CC..EExtended strand (participates in β ladder)trans-77.8114171.5-172.73.3000111.1N18 W22 T124 I157 A159 A160D16-N18 PolarHBondContact OD1-N 3.28Å; D16-W22 PolarHBondContact O-NE1 2.91Å; D16-W22 VanDerWaalsContact O-NE1 3.1Å; D16-T124 WeakPolarHBondContact OD1-CG2 3.42Å; D16-I157 VanDerWaalsContact CB-O 3.27Å; D16-I157 WeakPolarHBondContact CB-O 3.1Å; D16-I157 PolarHBondContact N-O 2.73Å; D16-A159 HydrophobicContact CB-CB 4.09Å; D16-A159 PolarHBondContact OD2-N 3.12Å; D16-A160 PolarHBondContact OD2-N 2.85Å
17V82.9Confident80.1Confident2 Ų228.4 Ų28.41%0.01216%0.158CC..  trans-112.246.3-177.7-159.40000110V15 P19 L34 A61 S62 M112V15-V17 HydrophobicContact CB-CG2 4.49Å; V15-V17 HydrophobicContact CG1-CG2 4.2Å; V15-V17 PolarHBondContact O-N 2.83Å; V17-P19 WeakPolarHBondContact O-CD 3.45Å; V17-L34 HydrophobicContact CG1-CD1 4.14Å; V17-L34 HydrophobicContact CG1-CD2 3.72Å; V17-A61 HydrophobicContact CG2-CB 3.75Å; V17-S62 PolarHBondContact N-O 2.83Å; V17-M112 HydrophobicContact CG1-CE 3.48Å; V17-M112 VanDerWaalsContact CG1-CE 3.48Å
18N82Confident80Confident5 Ų534.3 Ų34.33%0.02718%0.178CC..  trans-68.1109.8177.2-171-15.4000111.9D16 I20 W21 W22 T122 T124 A160D16-N18 PolarHBondContact OD1-N 3.28Å; N18-I20 PolarHBondContact O-N 3.25Å; N18-I20 PolarHBondContact OD1-N 3.41Å; N18-I20 VanDerWaalsContact OD1-N 3.13Å; N18-W21 HydrophobicContact CB-CB 4.18Å; N18-W21 PolarHBondContact O-N 3.44Å; N18-W22 WeakPolarHBondContact O-CB 3.19Å; N18-W22 PolarHBondContact O-N 3.39Å; N18-T122 PolarHBondContact ND2-O 2.71Å; N18-T124 HydrophobicContact CB-CG2 3.83Å; N18-A160 HydrophobicContact CB-CB 4.2Å; N18-A160 WeakPolarHBondContact ND2-CB 3.18Å
19P75.7Confident79.4Confident30 Ų3037.5 Ų37.520%0.19519%0.193CC..Hα-helixtrans-65.2-27.9-175.228.2-36.1000112.6V17 G23 T115V17-P19 WeakPolarHBondContact O-CD 3.45Å; P19-G23 PolarHBondContact O-N 3.18Å; P19-T115 HydrophobicContact CG-CG2 4.09Å
20I77.1Confident78.5Confident52 Ų5241.3 Ų41.327%0.26722%0.218SC..Hα-helixtrans-71.6-47.3-178.8-58.2171.3000109.9N18 G23 Q24 T122N18-I20 PolarHBondContact O-N 3.25Å; N18-I20 PolarHBondContact OD1-N 3.41Å; N18-I20 VanDerWaalsContact OD1-N 3.13Å; I20-G23 PolarHBondContact O-N 2.77Å; I20-Q24 WeakPolarHBondContact O-CG 3.41Å; I20-Q24 PolarHBondContact O-N 2.98Å; I20-T122 HydrophobicContact CD1-CG2 3.88Å
21W77.6Confident77.3Confident22 Ų2247.1 Ų47.18%0.08325%0.246CC..Hα-helixtrans-66.3-45177.6-172.789.8000110.9N18 G23 Q24 Q25 A159 A160 L189 D190N18-W21 HydrophobicContact CB-CB 4.18Å; N18-W21 PolarHBondContact O-N 3.44Å; W21-G23 VanDerWaalsContact C-N 3.3Å; W21-G23 PolarHBondContact O-N 3.19Å; W21-Q24 PolarHBondContact O-N 3.06Å; W21-Q25 HydrophobicContact CE3-CB 4.24Å; W21-Q25 HydrophobicContact CH2-CB 4.29Å; W21-Q25 HydrophobicContact CH2-CG 3.96Å; W21-Q25 HydrophobicContact CZ2-CG 4.47Å; W21-Q25 HydrophobicContact CZ3-CB 4.12Å; W21-Q25 HydrophobicContact CZ3-CG 4.06Å; W21-Q25 VanDerWaalsContact O-CB 3.25Å; W21-Q25 WeakPolarHBondContact O-CB 3.36Å; W21-Q25 PolarHBondContact O-N 3.31Å; W21-A159 HydrophobicContact CD2-CB 4.02Å; W21-A159 VanDerWaalsContact CE2-O 3.25Å; W21-A159 HydrophobicContact CE3-CB 3.62Å; W21-A159 HydrophobicContact CH2-CB 4.27Å; W21-A159 HydrophobicContact CZ3-CB 3.74Å; W21-A159 PolarHBondContact NE1-O 3.49Å; W21-A160 HydrophobicContact CB-CB 4.36Å; W21-L189 HydrophobicContact CH2-CB 4.01Å; W21-L189 HydrophobicContact CH2-CD1 3.77Å; W21-L189 HydrophobicContact CZ2-CB 4.33Å; W21-L189 HydrophobicContact CZ3-CD1 3.94Å; W21-D190 HydrophobicContact CZ2-CB 3.88Å
22W77.7Confident76.5Confident20 Ų2047.1 Ų47.18%0.07625%0.245CC..Hα-helixtrans-63.7-34.4176.8-74.7115000112.9D16 N18 G26 F32 L34 C37 A159 L189D16-W22 PolarHBondContact O-NE1 2.91Å; D16-W22 VanDerWaalsContact O-NE1 3.1Å; N18-W22 WeakPolarHBondContact O-CB 3.19Å; N18-W22 PolarHBondContact O-N 3.39Å; W22-G26 PolarHBondContact O-N 3.36Å; W22-F32 HydrophobicContact CH2-CD1 4.32Å; W22-F32 AromaticContact CH2-CE1 3.45Å; W22-F32 HydrophobicContact CH2-CE1 3.45Å; W22-F32 VanDerWaalsContact CH2-CE1 3.45Å; W22-F32 AromaticContact CH2-CZ 3.93Å; W22-F32 HydrophobicContact CH2-CZ 3.93Å; W22-F32 AromaticContact CZ3-CD1 3.85Å; W22-F32 HydrophobicContact CZ3-CD1 3.85Å; W22-F32 AromaticContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CE1 3.44Å; W22-F32 VanDerWaalsContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CZ 4.23Å; W22-L34 HydrophobicContact CD2-CB 3.76Å; W22-L34 HydrophobicContact CD2-CD1 4Å; W22-L34 HydrophobicContact CD2-CG 4.38Å; W22-L34 HydrophobicContact CE3-CB 3.81Å; W22-L34 HydrophobicContact CG-CB 4.07Å; W22-L34 HydrophobicContact CG-CD1 4.32Å; W22-L34 HydrophobicContact CG-CD2 4.47Å; W22-L34 HydrophobicContact CH2-CD1 4.49Å; W22-L34 HydrophobicContact CZ2-CD1 3.85Å; W22-L34 HydrophobicContact CZ3-CB 4.28Å; W22-C37 HydrophobicContact CH2-CB 3.54Å; W22-C37 HydrophobicContact CZ2-CB 4.16Å; W22-C37 HydrophobicContact CZ3-CB 4.33Å; W22-A159 HydrophobicContact CZ2-CB 4.36Å; W22-L189 HydrophobicContact CH2-CD1 3.98Å; W22-L189 HydrophobicContact CZ2-CD1 4.07Å
23G76.4Confident75.9Confident41 Ų4150.2 Ų50.242%0.42326%0.264SS..Hα-helixtrans-66.8-43.8173.200000113.2P19 I20 W21 G26 Q27P19-G23 PolarHBondContact O-N 3.18Å; I20-G23 PolarHBondContact O-N 2.77Å; W21-G23 VanDerWaalsContact C-N 3.3Å; W21-G23 PolarHBondContact O-N 3.19Å; G23-G26 PolarHBondContact O-N 2.96Å; G23-Q27 PolarHBondContact O-N 3.01Å
24Q75.9Confident75.3Confident96 Ų9651.1 Ų51.145%0.44927%0.269SS..Hα-helixtrans-67.5-40.7175.6-71178.411.800112I20 W21 G26 Q27 R28I20-Q24 WeakPolarHBondContact O-CG 3.41Å; I20-Q24 PolarHBondContact O-N 2.98Å; W21-Q24 PolarHBondContact O-N 3.06Å; Q24-G26 VanDerWaalsContact C-N 3.35Å; Q24-Q27 PolarHBondContact O-N 3.44Å; Q24-R28 WeakPolarHBondContact O-CG 3.47Å; Q24-R28 PolarHBondContact O-N 2.77Å; Q24-R28 VanDerWaalsContact O-N 3.11Å
25Q72.3Confident74.8Confident5 Ų554.9 Ų54.92%0.02329%0.294CS..Hα-helixtrans-63.6-41.2177.1-178.462.322.300111.1W21 Q27 R28 E29 F32W21-Q25 HydrophobicContact CE3-CB 4.24Å; W21-Q25 HydrophobicContact CH2-CB 4.29Å; W21-Q25 HydrophobicContact CH2-CG 3.96Å; W21-Q25 HydrophobicContact CZ2-CG 4.47Å; W21-Q25 HydrophobicContact CZ3-CB 4.12Å; W21-Q25 HydrophobicContact CZ3-CG 4.06Å; W21-Q25 VanDerWaalsContact O-CB 3.25Å; W21-Q25 WeakPolarHBondContact O-CB 3.36Å; W21-Q25 PolarHBondContact O-N 3.31Å; Q25-Q27 PolarHBondContact O-N 3.07Å; Q25-R28 PolarHBondContact O-N 3.06Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; Q25-E29 PolarHBondContact NE2-OE2 3.43Å; Q25-E29 PolarHBondContact O-N 3.09Å; Q25-F32 HydrophobicContact CG-CD1 4.37Å
26G67.8Low74.4Confident39 Ų3960.2 Ų60.240%0.40232%0.317SS..Hα-helixtrans-62.5-24.7175.100000114.3W22 G23 Q24W22-G26 PolarHBondContact O-N 3.36Å; G23-G26 PolarHBondContact O-N 2.96Å; Q24-G26 VanDerWaalsContact C-N 3.35Å
27Q68.6Low74Confident171 Ų17159.8 Ų59.880%0.79932%0.315SS*.Hα-helixtrans-82-33.2172.5-69.7-179.1-3.800113.1G23 Q24 Q25G23-Q27 PolarHBondContact O-N 3.01Å; Q24-Q27 PolarHBondContact O-N 3.44Å; Q25-Q27 PolarHBondContact O-N 3.07Å
28R68.4Low73.9Confident179 Ų17960.5 Ų60.568%0.67532%0.319SS*.Hα-helixtrans-80.5-43.9-178.4-71-179.7178.8179.61.9112.5Q24 Q25Q24-R28 WeakPolarHBondContact O-CG 3.47Å; Q24-R28 PolarHBondContact O-N 2.77Å; Q24-R28 VanDerWaalsContact O-N 3.11Å; Q25-R28 PolarHBondContact O-N 3.06Å; Q25-R28 VanDerWaalsContact O-N 3.11Å
29E66.1Low73.9Confident84 Ų8464.3 Ų64.339%0.39334%0.339SS..  trans-137.496.8-177.5-71.2-179.5163.800109.8Q25 E31 F32 K213Q25-E29 PolarHBondContact NE2-OE2 3.43Å; Q25-E29 PolarHBondContact O-N 3.09Å; E29-E31 PolarHBondContact O-N 2.99Å; E29-E31 VanDerWaalsContact O-N 3.15Å; E29-F32 PolarHBondContact O-N 3.12Å; E29-K213 WeakPolarHBondContact OE2-CD 3.18Å
30P62Low74.1Confident102 Ų10263.1 Ų63.166%0.66233%0.332SS*.THydrogen-bonded Turntrans-67.8-15-179.428-34.7000112.9F32P30-F32 VanDerWaalsContact C-N 3.35Å
31E62.1Low74.4Confident125 Ų12560.9 Ų60.958%0.58432%0.321SS*.THydrogen-bonded Turntrans-72.7-24.4179.1-67.9-168.8159.500113.5E29 K36 V214E29-E31 PolarHBondContact O-N 2.99Å; E29-E31 VanDerWaalsContact O-N 3.15Å; E31-K36 VanDerWaalsContact O-CD 3.26Å; E31-K36 WeakPolarHBondContact O-CD 3.34Å; E31-K36 WeakPolarHBondContact O-CE 3.39Å; E31-K36 PolarHBondContact O-NZ 3.24Å; E31-V214 HydrophobicContact CB-CG2 4.47Å
32F68.6Low74.6Confident7 Ų761 Ų613%0.03132%0.323CS..  trans-116.795.8-177.1-172.7-105.3000111.6W22 Q25 E29 P30 C37 L189 K213 L216W22-F32 HydrophobicContact CH2-CD1 4.32Å; W22-F32 AromaticContact CH2-CE1 3.45Å; W22-F32 HydrophobicContact CH2-CE1 3.45Å; W22-F32 VanDerWaalsContact CH2-CE1 3.45Å; W22-F32 AromaticContact CH2-CZ 3.93Å; W22-F32 HydrophobicContact CH2-CZ 3.93Å; W22-F32 AromaticContact CZ3-CD1 3.85Å; W22-F32 HydrophobicContact CZ3-CD1 3.85Å; W22-F32 AromaticContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CE1 3.44Å; W22-F32 VanDerWaalsContact CZ3-CE1 3.44Å; W22-F32 HydrophobicContact CZ3-CZ 4.23Å; Q25-F32 HydrophobicContact CG-CD1 4.37Å; E29-F32 PolarHBondContact O-N 3.12Å; P30-F32 VanDerWaalsContact C-N 3.35Å; F32-C37 HydrophobicContact CE2-CB 4.25Å; F32-C37 HydrophobicContact CZ-CB 3.78Å; F32-L189 HydrophobicContact CE1-CD1 4.26Å; F32-L189 HydrophobicContact CZ-CD2 4.45Å; F32-K213 HydrophobicContact CB-CB 4.26Å; F32-K213 HydrophobicContact CD1-CB 3.98Å; F32-K213 HydrophobicContact CD1-CD 4.4Å; F32-K213 HydrophobicContact CD2-CB 4.14Å; F32-K213 WeakPolarHBondContact CD2-O 3.45Å; F32-K213 HydrophobicContact CE1-CB 4.35Å; F32-K213 VanDerWaalsContact CE2-O 3.27Å; F32-K213 WeakPolarHBondContact CE2-O 3.36Å; F32-K213 HydrophobicContact CG-CB 3.86Å; F32-L216 HydrophobicContact CE2-CB 3.87Å; F32-L216 HydrophobicContact CE2-CD1 4.11Å; F32-L216 HydrophobicContact CE2-CD2 4.07Å; F32-L216 HydrophobicContact CE2-CG 4.26Å; F32-L216 HydrophobicContact CZ-CB 4.45Å; F32-L216 HydrophobicContact CZ-CD1 3.86Å; F32-L216 HydrophobicContact CZ-CD2 4.1Å; F32-L216 HydrophobicContact CZ-CG 4.38Å
33T77.1Confident74.8Confident64 Ų6463.4 Ų63.439%0.39334%0.339SS..  trans-100.7155.2178.4-42.50000111C35 K36 C37T33-C35 PolarHBondContact O-N 3.18Å; T33-C35 VanDerWaalsContact O-N 3.17Å; T33-K36 PolarHBondContact O-N 3.01Å; T33-C37 PolarHBondContact O-N 3.32Å; T33-C37 VanDerWaalsContact O-N 3.15Å
34L77.9Confident75Confident20 Ų2061.6 Ų61.611%0.10532%0.32CS..Hα-helixtrans-47.3-42.2170.317460.6000112.2V17 W22 K36 C37 L38 M112V17-L34 HydrophobicContact CG1-CD1 4.14Å; V17-L34 HydrophobicContact CG1-CD2 3.72Å; W22-L34 HydrophobicContact CD2-CB 3.76Å; W22-L34 HydrophobicContact CD2-CD1 4Å; W22-L34 HydrophobicContact CD2-CG 4.38Å; W22-L34 HydrophobicContact CE3-CB 3.81Å; W22-L34 HydrophobicContact CG-CB 4.07Å; W22-L34 HydrophobicContact CG-CD1 4.32Å; W22-L34 HydrophobicContact CG-CD2 4.47Å; W22-L34 HydrophobicContact CH2-CD1 4.49Å; W22-L34 HydrophobicContact CZ2-CD1 3.85Å; W22-L34 HydrophobicContact CZ3-CB 4.28Å; L34-K36 PolarHBondContact O-N 2.85Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CD1-CD1 3.79Å; L34-L38 HydrophobicContact CD1-CD2 4.42Å; L34-L38 HydrophobicContact CD1-CG 3.88Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.7Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.39Å; L34-M112 HydrophobicContact CD2-SD 4.2Å
35C79.6Confident75.2Confident79 Ų7957.1 Ų57.153%0.53430%0.299SS..Hα-helixtrans-57.4-45.6177.4-56.90000112.5T33 C37 L38 D39T33-C35 PolarHBondContact O-N 3.18Å; T33-C35 VanDerWaalsContact O-N 3.17Å; C35-C37 VanDerWaalsContact C-N 3.33Å; C35-C37 PolarHBondContact O-N 3.35Å; C35-L38 PolarHBondContact O-N 2.94Å; C35-D39 WeakPolarHBondContact O-CB 3.32Å; C35-D39 PolarHBondContact O-N 2.71Å
36K79.1Confident75.6Confident113 Ų11358.1 Ų58.149%0.49131%0.305SS..Hα-helixtrans-66.7-35.4178.3-66.9-174.6-179178.90112.5E31 T33 L34 A40E31-K36 VanDerWaalsContact O-CD 3.26Å; E31-K36 WeakPolarHBondContact O-CD 3.34Å; E31-K36 WeakPolarHBondContact O-CE 3.39Å; E31-K36 PolarHBondContact O-NZ 3.24Å; T33-K36 PolarHBondContact O-N 3.01Å; L34-K36 PolarHBondContact O-N 2.85Å; K36-A40 PolarHBondContact O-N 2.85Å
37C78.8Confident76.1Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-63.2-47.4173.7-175.20000110.6W22 F32 T33 L34 C35 D39 A40 V41 L216W22-C37 HydrophobicContact CH2-CB 3.54Å; W22-C37 HydrophobicContact CZ2-CB 4.16Å; W22-C37 HydrophobicContact CZ3-CB 4.33Å; F32-C37 HydrophobicContact CE2-CB 4.25Å; F32-C37 HydrophobicContact CZ-CB 3.78Å; T33-C37 PolarHBondContact O-N 3.32Å; T33-C37 VanDerWaalsContact O-N 3.15Å; L34-C37 WeakPolarHBondContact O-CB 3.49Å; L34-C37 PolarHBondContact O-N 3.33Å; C35-C37 VanDerWaalsContact C-N 3.33Å; C35-C37 PolarHBondContact O-N 3.35Å; C37-D39 PolarHBondContact O-N 2.84Å; C37-A40 WeakPolarHBondContact O-CB 3.35Å; C37-A40 PolarHBondContact O-N 3.22Å; C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 2.99Å; C37-L216 HydrophobicContact CB-CD2 4.29Å
38L81.8Confident76.6Confident16 Ų1650.8 Ų50.88%0.08426%0.264CS..Hα-helixtrans-64.5-40.4177.7-68.1165.7000112.2V15 L34 C35 A40 V41 M42 I108V15-L38 HydrophobicContact CG1-CD2 4.21Å; L34-L38 HydrophobicContact CD1-CD1 3.79Å; L34-L38 HydrophobicContact CD1-CD2 4.42Å; L34-L38 HydrophobicContact CD1-CG 3.88Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.7Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.39Å; C35-L38 PolarHBondContact O-N 2.94Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.1Å; L38-V41 PolarHBondContact O-N 3.14Å; L38-M42 WeakPolarHBondContact O-CB 3.41Å; L38-M42 VanDerWaalsContact O-CG 3.28Å; L38-M42 WeakPolarHBondContact O-CG 3.1Å; L38-M42 PolarHBondContact O-N 3.37Å; L38-I108 HydrophobicContact CD1-CD1 3.34Å; L38-I108 HydrophobicContact CD1-CG1 4.48Å; L38-I108 HydrophobicContact CD1-CG2 3.94Å; L38-I108 HydrophobicContact CD2-CD1 3.37Å; L38-I108 HydrophobicContact CG-CD1 3.91Å
39D81.9Confident77.1Confident85 Ų8544.4 Ų44.446%0.45524%0.243SC..Hα-helixtrans-58.3-45174.3-67.7-25.5000110.6C35 C37 V41 M42 V43C35-D39 WeakPolarHBondContact O-CB 3.32Å; C35-D39 PolarHBondContact O-N 2.71Å; C37-D39 PolarHBondContact O-N 2.84Å; D39-V41 PolarHBondContact O-N 2.88Å; D39-M42 HydrophobicContact CB-CE 4.45Å; D39-M42 PolarHBondContact O-N 3.07Å; D39-M42 WeakPolarHBondContact OD1-CE 3.47Å; D39-V43 VanDerWaalsContact O-CG2 3.24Å; D39-V43 WeakPolarHBondContact O-CG2 3.5Å; D39-V43 PolarHBondContact O-N 3.1Å
40A79.8Confident77.7Confident5 Ų543 Ų434%0.04125%0.245CC..Hα-helixtrans-63.5-41.2175.600000112.5K36 C37 L38 V43 M44 L216 A217 L220K36-A40 PolarHBondContact O-N 2.85Å; C37-A40 WeakPolarHBondContact O-CB 3.35Å; C37-A40 PolarHBondContact O-N 3.22Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.1Å; A40-V43 PolarHBondContact O-N 2.93Å; A40-M44 WeakPolarHBondContact O-CB 3.27Å; A40-M44 PolarHBondContact O-N 3.1Å; A40-L216 HydrophobicContact CB-CD2 4.02Å; A40-A217 HydrophobicContact CB-CB 4.07Å; A40-L220 HydrophobicContact CB-CD1 3.92Å
41V82.6Confident78.3Confident6 Ų642.5 Ų42.54%0.03624%0.235CC..Hα-helixtrans-64.5-41.3175.5173.50000111.6I13 V15 C37 L38 D39 M44 G45 I157I13-V41 HydrophobicContact CD1-CG1 4.12Å; I13-V41 HydrophobicContact CG2-CG1 3.91Å; V15-V41 HydrophobicContact CG2-CG1 4.03Å; V15-V41 HydrophobicContact CG2-CG2 4.44Å; C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 2.99Å; L38-V41 PolarHBondContact O-N 3.14Å; D39-V41 PolarHBondContact O-N 2.88Å; V41-M44 PolarHBondContact O-N 3.01Å; V41-G45 PolarHBondContact O-N 2.89Å; V41-I157 HydrophobicContact CG2-CD1 3.33Å
42M82.5Confident78.8Confident25 Ų2539.2 Ų39.212%0.12322%0.224CC..Hα-helixtrans-64.2-46.5176.2-74.9-173.9-6500110.8L38 D39 M44 G45 N46 N101 I104L38-M42 WeakPolarHBondContact O-CB 3.41Å; L38-M42 VanDerWaalsContact O-CG 3.28Å; L38-M42 WeakPolarHBondContact O-CG 3.1Å; L38-M42 PolarHBondContact O-N 3.37Å; D39-M42 HydrophobicContact CB-CE 4.45Å; D39-M42 PolarHBondContact O-N 3.07Å; D39-M42 WeakPolarHBondContact OD1-CE 3.47Å; M42-M44 VanDerWaalsContact C-N 3.28Å; M42-M44 PolarHBondContact O-N 3.2Å; M42-G45 PolarHBondContact O-N 2.91Å; M42-N46 VanDerWaalsContact O-CB 3.3Å; M42-N46 WeakPolarHBondContact O-CB 3.45Å; M42-N46 PolarHBondContact O-N 2.91Å; M42-N46 PolarHBondContact O-ND2 2.82Å; M42-N101 HydrophobicContact SD-CB 3.8Å; M42-I104 HydrophobicContact CG-CD1 4.33Å; M42-I104 HydrophobicContact CG-CG2 4.3Å; M42-I104 HydrophobicContact SD-CB 4.32Å; M42-I104 HydrophobicContact SD-CG2 4.06Å
43V82.6Confident79.1Confident69 Ų6950.1 Ų50.142%0.41827%0.265SS..Hα-helixtrans-60.7-39.9176.2176.60000110.8D39 A40 N46 S47 L221D39-V43 VanDerWaalsContact O-CG2 3.24Å; D39-V43 WeakPolarHBondContact O-CG2 3.5Å; D39-V43 PolarHBondContact O-N 3.1Å; A40-V43 PolarHBondContact O-N 2.93Å; V43-N46 PolarHBondContact O-N 3.36Å; V43-S47 WeakPolarHBondContact O-CB 3.48Å; V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 PolarHBondContact O-OG 2.83Å; V43-L221 HydrophobicContact CG1-CD1 4.08Å; V43-L221 HydrophobicContact CG1-CD2 3.75Å
44M79.4Confident79.2Confident3 Ų349.2 Ų49.22%0.01526%0.259CS..Hα-helixtrans-65.4-47.4175.8-175.9-86-93.800112L11 I13 A40 V41 M42 N46 S47 H48 L155 L227L11-M44 HydrophobicContact CD2-SD 4.05Å; I13-M44 HydrophobicContact CD1-CE 3.7Å; I13-M44 HydrophobicContact CD1-SD 4Å; I13-M44 HydrophobicContact CG1-CE 4.4Å; A40-M44 WeakPolarHBondContact O-CB 3.27Å; A40-M44 PolarHBondContact O-N 3.1Å; V41-M44 PolarHBondContact O-N 3.01Å; M42-M44 VanDerWaalsContact C-N 3.28Å; M42-M44 PolarHBondContact O-N 3.2Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 2.94Å; M44-S47 WeakPolarHBondContact O-CB 3.4Å; M44-S47 PolarHBondContact O-N 3.31Å; M44-S47 VanDerWaalsContact O-N 3.12Å; M44-H48 PolarHBondContact O-N 3.37Å; M44-L155 HydrophobicContact CE-CD2 3.09Å; M44-L227 HydrophobicContact CG-CD1 4.2Å
45G79.9Confident79.3Confident2 Ų248.9 Ų48.92%0.02126%0.258CS..Hα-helixtrans-59.5-41.6176.200000112.5V41 M42 S47 H48 M49V41-G45 PolarHBondContact O-N 2.89Å; M42-G45 PolarHBondContact O-N 2.91Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 3.06Å; G45-H48 PolarHBondContact O-N 3.24Å; G45-M49 WeakPolarHBondContact O-CG 3.49Å; G45-M49 PolarHBondContact O-N 3.32Å
46N81.4Confident79.4Confident27 Ų2748.9 Ų48.914%0.14425%0.246CC..Hα-helixtrans-64.7-38.3175.4-69.5-31.5000111.8M42 V43 M44 M49 A50 L97 N101M42-N46 VanDerWaalsContact O-CB 3.3Å; M42-N46 WeakPolarHBondContact O-CB 3.45Å; M42-N46 PolarHBondContact O-N 2.91Å; M42-N46 PolarHBondContact O-ND2 2.82Å; V43-N46 PolarHBondContact O-N 3.36Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 2.94Å; N46-M49 PolarHBondContact O-N 3.31Å; N46-A50 WeakPolarHBondContact O-CB 3.37Å; N46-A50 PolarHBondContact O-N 3.12Å; N46-L97 WeakPolarHBondContact OD1-CD2 3.42Å; N46-N101 PolarHBondContact ND2-ND2 3.31Å; N46-N101 VanDerWaalsContact ND2-ND2 3.11Å; N46-N101 PolarHBondContact ND2-OD1 2.91Å
47S79.1Confident79.7Confident36 Ų3644.1 Ų44.125%0.25223%0.226SC..Hα-helixtrans-64.4-43.2175.2-57.40000111.2V43 M44 G45 M49 A50 M51V43-S47 WeakPolarHBondContact O-CB 3.48Å; V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 PolarHBondContact O-OG 2.83Å; M44-S47 WeakPolarHBondContact O-CB 3.4Å; M44-S47 PolarHBondContact O-N 3.31Å; M44-S47 VanDerWaalsContact O-N 3.12Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 3.06Å; S47-M49 PolarHBondContact O-N 3.47Å; S47-A50 WeakPolarHBondContact O-CB 3.29Å; S47-A50 PolarHBondContact O-N 3.45Å; S47-A50 VanDerWaalsContact O-N 3.11Å; S47-M51 WeakPolarHBondContact O-CG 3.25Å; S47-M51 PolarHBondContact O-N 3.3Å; S47-M51 VanDerWaalsContact O-N 3.16Å
48H78.8Confident80.1Confident19 Ų1944.1 Ų44.19%0.08823%0.226CC..Hα-helixtrans-61.3-44.1175177.8-98.4000112.2L11 M44 G45 A50 M51 N55L11-H48 VanDerWaalsContact CB-CE1 3.49Å; L11-H48 WeakPolarHBondContact CB-CE1 3.32Å; L11-H48 HydrophobicContact CD2-CB 4.1Å; M44-H48 PolarHBondContact O-N 3.37Å; G45-H48 PolarHBondContact O-N 3.24Å; H48-A50 PolarHBondContact O-N 3.04Å; H48-M51 PolarHBondContact O-N 3.3Å; H48-N55 PolarHBondContact O-ND2 3.37Å
49M77.9Confident80.5Confident46 Ų4643.6 Ų43.623%0.22722%0.224CC..Hα-helixtrans-66.3-26.4174.7-69.6-173.868.300113G45 N46 S47 L57 L97G45-M49 WeakPolarHBondContact O-CG 3.49Å; G45-M49 PolarHBondContact O-N 3.32Å; N46-M49 PolarHBondContact O-N 3.31Å; S47-M49 PolarHBondContact O-N 3.47Å; M49-L57 HydrophobicContact CG-CB 4.15Å; M49-L57 HydrophobicContact SD-CB 4.02Å; M49-L57 HydrophobicContact SD-CD2 4.26Å; M49-L97 HydrophobicContact CB-CD2 3.86Å; M49-L97 HydrophobicContact CE-CD2 3.87Å; M49-L97 HydrophobicContact CG-CD2 4.33Å; M49-L97 HydrophobicContact SD-CD2 3.61Å
50A78.6Confident80.8Confident54 Ų5439.5 Ų39.545%0.44620%0.202SC..Hα-helixtrans-75.7-26.8177.500000113.4N46 S47 H48N46-A50 WeakPolarHBondContact O-CB 3.37Å; N46-A50 PolarHBondContact O-N 3.12Å; S47-A50 WeakPolarHBondContact O-CB 3.29Å; S47-A50 PolarHBondContact O-N 3.45Å; S47-A50 VanDerWaalsContact O-N 3.11Å; H48-A50 PolarHBondContact O-N 3.04Å
51M74.6Confident81.2Confident92 Ų9239.3 Ų39.345%0.45320%0.2SC..Hα-helixtrans-65.3-48.9-177.4-71.7175.179.300112.8S47 H48 L227S47-M51 WeakPolarHBondContact O-CG 3.25Å; S47-M51 PolarHBondContact O-N 3.3Å; S47-M51 VanDerWaalsContact O-N 3.16Å; H48-M51 PolarHBondContact O-N 3.3Å; M51-L227 HydrophobicContact CE-CB 4.3Å; M51-L227 WeakPolarHBondContact CE-O 2.95Å; M51-L227 HydrophobicContact SD-CB 3.87Å; M51-L227 HydrophobicContact SD-CD2 3.71Å; M51-L227 HydrophobicContact SD-CG 3.83Å
52T73.3Confident81.3Confident56 Ų5639.1 Ų39.134%0.34420%0.199SC..  trans-138.4140.6-178.6-43.80000110.1T54 N55T52-T54 VanDerWaalsContact C-N 3.26Å; T52-T54 WeakPolarHBondContact CG2-OG1 3.28Å; T52-T54 PolarHBondContact O-N 3.21Å; T52-N55 WeakPolarHBondContact CB-OD1 3.32Å; T52-N55 PolarHBondContact N-ND2 3.43Å; T52-N55 WeakPolarHBondContact O-CB 3.42Å; T52-N55 PolarHBondContact O-N 2.68Å
53R74Confident81.3Confident235 Ų23538.2 Ų38.289%0.88719%0.194SC*.THydrogen-bonded Turntrans-69.8-21.2-178.4-63.6-174.9-176.6-175.30.8113.9N55R53-N55 VanDerWaalsContact C-N 3.31Å
54T78.9Confident80.8Confident46 Ų4635.6 Ų35.628%0.28218%0.179SC..THydrogen-bonded Turntrans-83.6-8.6177.156.60000112.6E7 T52 R56E7-T54 PolarHBondContact O-OG1 3.43Å; T52-T54 VanDerWaalsContact C-N 3.26Å; T52-T54 WeakPolarHBondContact CG2-OG1 3.28Å; T52-T54 PolarHBondContact O-N 3.21Å; T54-R56 PolarHBondContact O-N 3.12Å
55N80.1Confident80.3Confident13 Ų1339.4 Ų39.47%0.0720%0.197CC..  trans-68.2129.3-175.8-70.9-4.6000111N9 H48 T52 R53N9-N55 WeakPolarHBondContact CB-OD1 3.37Å; N9-N55 PolarHBondContact ND2-OD1 2.89Å; N9-N55 VanDerWaalsContact ND2-OD1 3.14Å; N9-N55 CarbonylContact O-C 3.46Å; N9-N55 WeakPolarHBondContact O-CA 3.47Å; H48-N55 PolarHBondContact O-ND2 3.37Å; T52-N55 WeakPolarHBondContact CB-OD1 3.32Å; T52-N55 PolarHBondContact N-ND2 3.43Å; T52-N55 WeakPolarHBondContact O-CB 3.42Å; T52-N55 PolarHBondContact O-N 2.68Å; R53-N55 VanDerWaalsContact C-N 3.31Å
56R82.4Confident80Confident78 Ų7843.6 Ų43.629%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-107.7146.2170.9-70.1-163-84.8-164.5-8.1110L8 N9 L10 L11 T54L8-R56 HydrophobicContact CD2-CG 4.43Å; N9-R56 PolarHBondContact O-N 3.5Å; L10-R56 WeakPolarHBondContact CA-O 3.5Å; L10-R56 HydrophobicContact CD1-CB 3.65Å; L11-R56 PolarHBondContact N-O 2.94Å; T54-R56 PolarHBondContact O-N 3.12Å
57L85.4Confident79.9Confident13 Ų1342.9 Ų42.97%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-119.7140.5176.4-177.268.4000108.5L11 I13 M49 V59 Y71L11-L57 HydrophobicContact CB-CD1 4.22Å; L11-L57 HydrophobicContact CD2-CD1 4.12Å; L11-L57 HydrophobicContact CG-CD1 4.21Å; L11-L57 CarbonylContact O-C 3.57Å; L11-L57 WeakPolarHBondContact O-CA 3.45Å; I13-L57 HydrophobicContact CD1-CD1 3.77Å; I13-L57 HydrophobicContact CG1-CD1 4Å; M49-L57 HydrophobicContact CG-CB 4.15Å; M49-L57 HydrophobicContact SD-CB 4.02Å; M49-L57 HydrophobicContact SD-CD2 4.26Å; L57-V59 HydrophobicContact CD1-CG2 4.4Å; L57-V59 HydrophobicContact CD2-CG2 4.01Å; L57-V59 HydrophobicContact CG-CG2 4Å; L57-Y71 HydrophobicContact CB-CD1 4.41Å; L57-Y71 HydrophobicContact CB-CE1 4.3Å; L57-Y71 WeakPolarHBondContact O-CD1 3.29Å; L57-Y71 WeakPolarHBondContact O-CE1 3.37Å
58A87.8Confident80.1Confident0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-130.9138.4163.600000108.5L11 V12 I13 Y71 Y136L11-A58 PolarHBondContact O-N 3.27Å; V12-A58 CarbonylContact C-O 3.54Å; V12-A58 VanDerWaalsContact CA-O 3.31Å; V12-A58 WeakPolarHBondContact CA-O 3.5Å; V12-A58 HydrophobicContact CG1-CB 4.18Å; V12-A58 HydrophobicContact CG2-CB 4.26Å; I13-A58 PolarHBondContact N-O 3.44Å; A58-Y71 CarbonylContact C-O 3.51Å; A58-Y71 VanDerWaalsContact CA-O 3.32Å; A58-Y71 WeakPolarHBondContact CA-O 3.36Å; A58-Y136 HydrophobicContact CB-CD1 4.1Å; A58-Y136 HydrophobicContact CB-CE1 3.71Å
59V88.8Confident80.3Confident5 Ų545.9 Ų45.93%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-125.6125.3179.7-171.10000108.6I13 V15 L57 L70 Y71 I104I13-V59 CarbonylContact O-C 3.53Å; I13-V59 WeakPolarHBondContact O-CA 3.4Å; V15-V59 HydrophobicContact CG2-CG1 4.35Å; L57-V59 HydrophobicContact CD1-CG2 4.4Å; L57-V59 HydrophobicContact CD2-CG2 4.01Å; L57-V59 HydrophobicContact CG-CG2 4Å; V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 HydrophobicContact CG1-CB 4.21Å; V59-L70 HydrophobicContact CG1-CD1 3.92Å; V59-L70 PolarHBondContact O-N 2.85Å; V59-Y71 PolarHBondContact N-O 3.38Å; V59-Y71 PolarHBondContact O-N 3.06Å; V59-I104 HydrophobicContact CG2-CD1 4.28Å
60I89.8Confident80.3Confident0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-120.1125.5-178.8-55.6177.7000108.3V12 I13 V14 V15 H68 F69 K132 A133V12-I60 HydrophobicContact CG1-CD1 3.95Å; V12-I60 HydrophobicContact CG1-CG1 4.33Å; I13-I60 PolarHBondContact O-N 2.77Å; V14-I60 CarbonylContact C-O 3.58Å; V14-I60 WeakPolarHBondContact CA-O 3.36Å; V14-I60 HydrophobicContact CG2-CB 4.42Å; V15-I60 PolarHBondContact N-O 2.83Å; I60-H68 CarbonylContact C-O 3.48Å; I60-H68 WeakPolarHBondContact CA-O 3.44Å; I60-F69 HydrophobicContact CD1-CD1 4.08Å; I60-F69 HydrophobicContact CD1-CE1 3.49Å; I60-F69 VanDerWaalsContact CD1-CE1 3.49Å; I60-F69 HydrophobicContact CD1-CZ 3.88Å; I60-F69 HydrophobicContact CG1-CD1 3.67Å; I60-F69 HydrophobicContact CG1-CE1 3.64Å; I60-F69 HydrophobicContact CG1-CG 4.4Å; I60-F69 HydrophobicContact CG1-CZ 4.35Å; I60-K132 HydrophobicContact CD1-CB 4.5Å; I60-A133 HydrophobicContact CD1-CB 3.83Å
61A87.7Confident80.2Confident1 Ų142.4 Ų42.41%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-85.8127.2167.400000109.9V15 V17 S67 H68 L70 I111V15-A61 WeakPolarHBondContact O-CA 3.44Å; V17-A61 HydrophobicContact CG2-CB 3.75Å; A61-S67 WeakPolarHBondContact O-CA 3.4Å; A61-H68 PolarHBondContact N-O 3.38Å; A61-H68 PolarHBondContact O-N 3.33Å; A61-L70 HydrophobicContact CB-CD1 3.83Å; A61-L70 HydrophobicContact CB-CD2 3.84Å; A61-L70 HydrophobicContact CB-CG 3.76Å; A61-I111 HydrophobicContact CB-CD1 4.16Å
62S84.7Confident79.9Confident1 Ų139.3 Ų39.31%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-95.6108.1168.7-165.90000108.7V15 V17 S129V15-S62 PolarHBondContact O-N 2.89Å; V17-S62 PolarHBondContact N-O 2.83Å; S62-S129 VanDerWaalsContact CB-OG 3.26Å; S62-S129 WeakPolarHBondContact CB-OG 3.46Å; S62-S129 PolarHBondContact OG-OG 2.85Å; S62-S129 VanDerWaalsContact OG-OG 3.05Å
63H81.3Confident79.3Confident6 Ų637.1 Ų37.13%0.02817%0.172CC..  trans-101.2168172.4-173.8-109.6000110Q65 D66 I111 T115H63-Q65 VanDerWaalsContact C-N 3.33Å; H63-Q65 PolarHBondContact ND1-N 3.41Å; H63-D66 CarbonylContact C-O 3.5Å; H63-D66 VanDerWaalsContact CA-O 3.29Å; H63-D66 WeakPolarHBondContact CA-O 3.42Å; H63-D66 WeakPolarHBondContact CB-O 3.48Å; H63-D66 PolarHBondContact N-O 3.47Å; H63-I111 HydrophobicContact CB-CG2 4.4Å; H63-T115 PolarHBondContact NE2-OG1 3.05Å
64C72.3Confident78.4Confident14 Ų1433.8 Ų33.810%0.09516%0.164CC..SBendtrans-71.1-28.2-179.457.60000113.2D123 L125C64-D123 WeakPolarHBondContact CA-O 3.31Å; C64-D123 WeakPolarHBondContact CB-O 3.32Å; C64-L125 WeakPolarHBondContact O-CD1 3.35Å
65Q70.1Confident76.6Confident83 Ų8334.8 Ų34.839%0.38817%0.173SC..SBendtrans-100-32.1-180-68.5173.7-8.300112.9H63 E116 L125H63-Q65 VanDerWaalsContact C-N 3.33Å; H63-Q65 PolarHBondContact ND1-N 3.41Å; Q65-E116 PolarHBondContact NE2-O 2.96Å; Q65-L125 VanDerWaalsContact C-CD1 3.45Å; Q65-L125 WeakPolarHBondContact O-CD1 3.5Å
66D73.6Confident74.9Confident91 Ų9141 Ų4149%0.48720%0.196SC..  trans-149.8164.9-173.6-97.7-40.8000112.5H63H63-D66 CarbonylContact C-O 3.5Å; H63-D66 VanDerWaalsContact CA-O 3.29Å; H63-D66 WeakPolarHBondContact CA-O 3.42Å; H63-D66 WeakPolarHBondContact CB-O 3.48Å; H63-D66 PolarHBondContact N-O 3.47Å
67S79.9Confident72.9Confident11 Ų1144.3 Ų44.38%0.07721%0.214CC..EExtended strand (participates in β ladder)trans-117.2119.5171.338.10000109.7A61 S129 K132A61-S67 WeakPolarHBondContact O-CA 3.4Å; S67-S129 VanDerWaalsContact CB-OG 3.24Å; S67-S129 WeakPolarHBondContact CB-OG 3.26Å; S67-K132 PolarHBondContact O-NZ 2.78Å; S67-K132 WeakPolarHBondContact OG-CD 3.42Å; S67-K132 WeakPolarHBondContact OG-CE 3.4Å; S67-K132 PolarHBondContact OG-NZ 2.79Å
68H81.4Confident70.6Confident72 Ų7248.3 Ų48.333%0.33324%0.243SC..EExtended strand (participates in β ladder)trans-114.3137.1-174.3-76-86.7000110.7I60 A61 L70 I111I60-H68 CarbonylContact C-O 3.48Å; I60-H68 WeakPolarHBondContact CA-O 3.44Å; A61-H68 PolarHBondContact N-O 3.38Å; A61-H68 PolarHBondContact O-N 3.33Å; H68-L70 PolarHBondContact O-N 3.34Å; H68-I111 HydrophobicContact CB-CD1 3.75Å; H68-I111 HydrophobicContact CB-CG1 4.49Å
69F83.6Confident68.1Low46 Ų4651.9 Ų51.920%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-76.6115.7169-76.6-90.3000107.9I60 K132 Y136I60-F69 HydrophobicContact CD1-CD1 4.08Å; I60-F69 HydrophobicContact CD1-CE1 3.49Å; I60-F69 VanDerWaalsContact CD1-CE1 3.49Å; I60-F69 HydrophobicContact CD1-CZ 3.88Å; I60-F69 HydrophobicContact CG1-CD1 3.67Å; I60-F69 HydrophobicContact CG1-CE1 3.64Å; I60-F69 HydrophobicContact CG1-CG 4.4Å; I60-F69 HydrophobicContact CG1-CZ 4.35Å; F69-K132 HydrophobicContact CE2-CB 3.95Å; F69-K132 HydrophobicContact CE2-CD 4.06Å; F69-K132 HydrophobicContact CE2-CG 4.28Å; F69-K132 HydrophobicContact CZ-CB 3.87Å; F69-Y136 HydrophobicContact CE1-CD2 4.33Å; F69-Y136 HydrophobicContact CE1-CG 4.24Å
70L79.2Confident65.5Low0 Ų058.4 Ų58.40%032%0.315CS..EExtended strand (participates in β ladder)trans-79.3-34.9171.2-58.4-179.8000110.3V59 A61 H68 I104 E107 I108 I111V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 HydrophobicContact CG1-CB 4.21Å; V59-L70 HydrophobicContact CG1-CD1 3.92Å; V59-L70 PolarHBondContact O-N 2.85Å; A61-L70 HydrophobicContact CB-CD1 3.83Å; A61-L70 HydrophobicContact CB-CD2 3.84Å; A61-L70 HydrophobicContact CB-CG 3.76Å; H68-L70 PolarHBondContact O-N 3.34Å; L70-I104 HydrophobicContact CB-CG1 4.18Å; L70-I104 HydrophobicContact CD1-CG2 4.22Å; L70-E107 HydrophobicContact CD2-CB 3.67Å; L70-I108 HydrophobicContact CD1-CD1 3.69Å; L70-I108 HydrophobicContact CD1-CG1 3.72Å; L70-I108 HydrophobicContact CD2-CD1 4.5Å; L70-I108 HydrophobicContact CD2-CG1 3.64Å; L70-I108 HydrophobicContact CG-CG1 4.34Å; L70-I111 HydrophobicContact CD2-CD1 3.89Å
71Y75.5Confident63Low27 Ų2763.8 Ų63.811%0.10635%0.353CS..EExtended strand (participates in β ladder)trans-151.9137.7177.1-172.1-99.5000109.9L57 A58 V59 W76 A100L57-Y71 HydrophobicContact CB-CD1 4.41Å; L57-Y71 HydrophobicContact CB-CE1 4.3Å; L57-Y71 WeakPolarHBondContact O-CD1 3.29Å; L57-Y71 WeakPolarHBondContact O-CE1 3.37Å; A58-Y71 CarbonylContact C-O 3.51Å; A58-Y71 VanDerWaalsContact CA-O 3.32Å; A58-Y71 WeakPolarHBondContact CA-O 3.36Å; V59-Y71 PolarHBondContact N-O 3.38Å; V59-Y71 PolarHBondContact O-N 3.06Å; Y71-W76 HydrophobicContact CE2-CH2 4.18Å; Y71-A100 HydrophobicContact CD2-CB 4.08Å; Y71-A100 HydrophobicContact CE2-CB 3.77Å
72P68.6Low60.1Low28 Ų2867.5 Ų67.518%0.18239%0.391CS..SBendcis-67.1139.5-1328.7-34.5000111.3Y136P72-Y136 HydrophobicContact CG-CE2 3.87Å
73S60.6Low57.8Low9 Ų970.9 Ų70.96%0.06343%0.426CS..  trans-70.4143.8178.9-175.60000110.7S75 W76S73-S75 VanDerWaalsContact CB-OG 3.31Å; S73-S75 WeakPolarHBondContact CB-OG 3.48Å; S73-S75 PolarHBondContact O-N 3.31Å; S73-S75 VanDerWaalsContact O-N 3.13Å; S73-S75 PolarHBondContact OG-N 3.26Å; S73-S75 PolarHBondContact OG-OG 3.38Å; S73-W76 PolarHBondContact O-N 2.77Å
74K54.2Low55.5Low165 Ų16577.9 Ų77.972%0.71746%0.464SS*.G310 helixtrans-59.1-18.4169.2-71.9-179.1175.8-179.40112.3W76 E77K74-W76 PolarHBondContact O-N 2.88Å; K74-E77 PolarHBondContact O-N 2.83Å
75S42.4Very low54.1Low68 Ų6886.3 Ų86.348%0.47650%0.502SS..G310 helixtrans-66.1-17177.264.10000114S73S73-S75 VanDerWaalsContact CB-OG 3.31Å; S73-S75 WeakPolarHBondContact CB-OG 3.48Å; S73-S75 PolarHBondContact O-N 3.31Å; S73-S75 VanDerWaalsContact O-N 3.13Å; S73-S75 PolarHBondContact OG-N 3.26Å; S73-S75 PolarHBondContact OG-OG 3.38Å
76W43.1Very low52.6Low144 Ų14489.1 Ų89.155%0.54552%0.518SS..G310 helixtrans-75.9-25.3175.4-79.58.6000113.7Y71 S73 K74Y71-W76 HydrophobicContact CE2-CH2 4.18Å; S73-W76 PolarHBondContact O-N 2.77Å; K74-W76 PolarHBondContact O-N 2.88Å
77E41.8Very low51Low147 Ų14788.6 Ų88.669%0.68752%0.521SS*.THydrogen-bonded Turntrans-92.6-13.3178.8-62.9-170.4112.300112.7K74 G79 R139K74-E77 PolarHBondContact O-N 2.83Å; E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.34Å; E77-R139 IonicContact OE2-NH1 3.8Å
78S35.5Very low49.2Very low96 Ų9693.7 Ų93.767%0.67156%0.557SS**  trans-97.337.6175.7-57.90000112.8D80S78-D80 PolarHBondContact O-N 2.81Å
79G36.6Very low47.3Very low76 Ų7693.9 Ų93.978%0.78457%0.566SS**  trans-71.874.6171.200000111.8E77E77-G79 VanDerWaalsContact C-N 3.33Å; E77-G79 PolarHBondContact O-N 3.34Å
80D34.1Very low45.5Very low142 Ų142103.6 Ų103.676%0.75960%0.602SS**  trans-122.8119.4150.6-165.410.4000109.6S78S78-D80 PolarHBondContact O-N 2.81Å
81S36.4Very low43.9Very low113 Ų113108.6 Ų108.679%0.7963%0.628SS**SBendtrans67.2103160.3-63.20000119.3
82G27.3Very low42.9Very low79 Ų79110.4 Ų110.481%0.81466%0.655SS**  trans147.582.8155.100000113.4
83G37.3Very low42.2Very low72 Ų72114.6 Ų114.674%0.74267%0.67SS**  trans-64.6140.5165.500000110.5
84D32.3Very low42Very low153 Ų153121.5 Ų121.582%0.81870%0.696SS**  trans-163.2113.9138.1-92.4-21.8000110
85E42.4Very low42.5Very low191 Ų191116.8 Ų116.889%0.89368%0.676SS**  trans34.685.2149.1-52.3-157136.800119.4
86I38.7Very low43.7Very low141 Ų141118.9 Ų118.972%0.72368%0.682SS**  trans-106100.2147-60.3175.4000107S88I86-S88 PolarHBondContact O-N 3.5Å
87S40.5Very low45.1Very low80 Ų80112.9 Ų112.956%0.55966%0.66SS**  trans-2.6102.2164.257.10000115.7S89S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 2.8Å
88S42.8Very low46.6Very low119 Ų119108 Ų10883%0.83265%0.645SS**  trans-69.977.5164.244.40000110.8I86I86-S88 PolarHBondContact O-N 3.5Å
89S40.8Very low48.6Very low75 Ų75105.9 Ų105.952%0.52463%0.628SS.*  trans-110.174.6-175.8-67.20000112.7S87 D91 E95S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 2.8Å; S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.94Å; S89-E95 VanDerWaalsContact CA-OE1 3.31Å; S89-E95 WeakPolarHBondContact CA-OE1 3.37Å; S89-E95 PolarHBondContact N-OE1 2.95Å
90R46.2Very low50.5Low251 Ų251102.5 Ų102.595%0.94759%0.593SS**SBendtrans33.935.8145.8-69.7176.773.4-177.33.2119.8
91D44.1Very low52.8Low105 Ų10597.8 Ų97.856%0.56157%0.567SS**  trans-148.669.6161.9-150.19.9000111.1S89 K93 Y94S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.94Å; D91-K93 PolarHBondContact O-N 2.81Å; D91-Y94 PolarHBondContact O-N 2.87Å
92G54.5Low55Low64 Ų6497.8 Ų97.866%0.6656%0.558SS**THydrogen-bonded Turntrans-65.69.8-160.700000118.2
93K54.2Low57.5Low116 Ų11695.5 Ų95.550%0.50453%0.527SS..THydrogen-bonded Turntrans-105.3-32.5173.9-164.9178.6179.1-169.80113.1D91D91-K93 PolarHBondContact O-N 2.81Å
94Y57.3Low59.7Low155 Ų15592.4 Ų92.461%0.60849%0.494SS*.THydrogen-bonded Turntrans-91.6-19.1-178.2-74.4-80.3000113.1D91 L97 A98D91-Y94 PolarHBondContact O-N 2.87Å; Y94-L97 HydrophobicContact CD1-CD1 4.23Å; Y94-L97 PolarHBondContact O-N 3.46Å; Y94-A98 WeakPolarHBondContact O-CB 3.38Å; Y94-A98 PolarHBondContact O-N 3.23Å
95E64.8Low62.1Low65 Ų6587 Ų8730%0.30447%0.47SS..Hα-helixtrans-63.4-42.2176-71.3-173.9154.900112.3S89 L97 A98 V99S89-E95 VanDerWaalsContact CA-OE1 3.31Å; S89-E95 WeakPolarHBondContact CA-OE1 3.37Å; S89-E95 PolarHBondContact N-OE1 2.95Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.82Å; E95-A98 PolarHBondContact O-N 3.35Å; E95-V99 WeakPolarHBondContact O-CB 3.34Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.88Å
96L67.4Low64Low112 Ų11283.5 Ų83.559%0.58645%0.454SS*.Hα-helixtrans-60.3-38.6177.6-75163.7000112.4A100L96-A100 WeakPolarHBondContact O-CB 3.3Å; L96-A100 PolarHBondContact O-N 3.33Å
97L71.4Confident66.1Low19 Ų1979.3 Ų79.310%0.09943%0.431CS..Hα-helixtrans-73.1-40.9178.2-59.8173000111.1N46 M49 Y94 E95 A100 N101N46-L97 WeakPolarHBondContact OD1-CD2 3.42Å; M49-L97 HydrophobicContact CB-CD2 3.86Å; M49-L97 HydrophobicContact CE-CD2 3.87Å; M49-L97 HydrophobicContact CG-CD2 4.33Å; M49-L97 HydrophobicContact SD-CD2 3.61Å; Y94-L97 HydrophobicContact CD1-CD1 4.23Å; Y94-L97 PolarHBondContact O-N 3.46Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.82Å; L97-A100 PolarHBondContact O-N 2.91Å; L97-N101 PolarHBondContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.43Å; L97-N101 PolarHBondContact O-OD1 3.46Å
98A73.9Confident68Low45 Ų4576 Ų7637%0.37241%0.407SS..Hα-helixtrans-64.6-41.2175.100000111.9Y94 E95 N101 N102Y94-A98 WeakPolarHBondContact O-CB 3.38Å; Y94-A98 PolarHBondContact O-N 3.23Å; E95-A98 PolarHBondContact O-N 3.35Å; A98-N101 PolarHBondContact O-N 3.43Å; A98-N102 VanDerWaalsContact O-CG 3.27Å; A98-N102 PolarHBondContact O-N 2.97Å; A98-N102 PolarHBondContact O-ND2 2.83Å
99V78.7Confident69.9Low51 Ų5177.9 Ų77.931%0.30940%0.396SS..Hα-helixtrans-62.7-44.5173.8170.70000110.4E95 N101 N102 L103E95-V99 WeakPolarHBondContact O-CB 3.34Å; E95-V99 WeakPolarHBondContact O-CG2 3.49Å; E95-V99 PolarHBondContact O-N 2.88Å; V99-N101 PolarHBondContact O-N 3.03Å; V99-N102 PolarHBondContact O-N 3.3Å; V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.46Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.11Å
100A76.2Confident71.8Confident5 Ų576 Ų764%0.04138%0.383CS..Hα-helixtrans-60.4-43.8175.500000112.1Y71 L96 L97 N102 L103 I104Y71-A100 HydrophobicContact CD2-CB 4.08Å; Y71-A100 HydrophobicContact CE2-CB 3.77Å; L96-A100 WeakPolarHBondContact O-CB 3.3Å; L96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 2.91Å; A100-N102 PolarHBondContact O-N 3.03Å; A100-L103 PolarHBondContact O-N 3.16Å; A100-I104 WeakPolarHBondContact O-CB 3.5Å; A100-I104 VanDerWaalsContact O-CG1 3.24Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.8Å
101N81.8Confident73.4Confident42 Ų4264.6 Ų64.623%0.22534%0.341CS..Hα-helixtrans-61.8-43176.7-66.4-18.2000111.8M42 N46 L97 A98 V99 I104 A105M42-N101 HydrophobicContact SD-CB 3.8Å; N46-N101 PolarHBondContact ND2-ND2 3.31Å; N46-N101 VanDerWaalsContact ND2-ND2 3.11Å; N46-N101 PolarHBondContact ND2-OD1 2.91Å; L97-N101 PolarHBondContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.43Å; L97-N101 PolarHBondContact O-OD1 3.46Å; A98-N101 PolarHBondContact O-N 3.43Å; V99-N101 PolarHBondContact O-N 3.03Å; N101-I104 PolarHBondContact O-N 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 2.89Å
102N81.6Confident74.8Confident113 Ų11362.6 Ų62.660%0.60433%0.329SS*.Hα-helixtrans-63.6-42.8178.1-72.5-28.3000111.7A98 V99 A100 A105 E106A98-N102 VanDerWaalsContact O-CG 3.27Å; A98-N102 PolarHBondContact O-N 2.97Å; A98-N102 PolarHBondContact O-ND2 2.83Å; V99-N102 PolarHBondContact O-N 3.3Å; A100-N102 PolarHBondContact O-N 3.03Å; N102-A105 PolarHBondContact O-N 3.38Å; N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 PolarHBondContact O-N 3.39Å
103L81.7Confident76Confident31 Ų3164.8 Ų64.816%0.16233%0.33CS..Hα-helixtrans-62.5-46.1176.2-72.3170.3000111.9V99 A100 A105 E106 E107V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.46Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.39Å; V99-L103 PolarHBondContact O-N 3.11Å; A100-L103 PolarHBondContact O-N 3.16Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.87Å; L103-E106 PolarHBondContact O-N 2.89Å; L103-E107 WeakPolarHBondContact O-CB 3.2Å; L103-E107 WeakPolarHBondContact O-CG 3.26Å; L103-E107 PolarHBondContact O-N 3.01Å
104I82.4Confident76.7Confident8 Ų866.2 Ų66.24%0.04134%0.336CS..Hα-helixtrans-58.3-46.5176.4-71.1167.3000110.1M42 V59 L70 A100 N101 E106 I108M42-I104 HydrophobicContact CG-CD1 4.33Å; M42-I104 HydrophobicContact CG-CG2 4.3Å; M42-I104 HydrophobicContact SD-CB 4.32Å; M42-I104 HydrophobicContact SD-CG2 4.06Å; V59-I104 HydrophobicContact CG2-CD1 4.28Å; L70-I104 HydrophobicContact CB-CG1 4.18Å; L70-I104 HydrophobicContact CD1-CG2 4.22Å; A100-I104 WeakPolarHBondContact O-CB 3.5Å; A100-I104 VanDerWaalsContact O-CG1 3.24Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.8Å; N101-I104 PolarHBondContact O-N 3.31Å; I104-E106 PolarHBondContact O-N 3.18Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 WeakPolarHBondContact O-CB 3.47Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.38Å
105A82.2Confident77.1Confident38 Ų3860.1 Ų60.131%0.31432%0.315SS..Hα-helixtrans-65.1-37.2179.500000112.8N101 N102 L103 R109N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 2.89Å; N102-A105 PolarHBondContact O-N 3.38Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.87Å; A105-R109 WeakPolarHBondContact O-CB 3.47Å; A105-R109 PolarHBondContact O-N 2.93Å
106E83.5Confident76.5Confident119 Ų11964.2 Ų64.256%0.55633%0.334SS*.Hα-helixtrans-69.6-45.8177.5-172.8172.2-169.200112.4N102 L103 I104 I108 R109 S110N102-E106 WeakPolarHBondContact O-CB 3.42Å; N102-E106 PolarHBondContact O-N 3.39Å; L103-E106 PolarHBondContact O-N 2.89Å; I104-E106 PolarHBondContact O-N 3.18Å; E106-I108 PolarHBondContact O-N 3Å; E106-R109 WeakPolarHBondContact O-CB 3.34Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-S110 PolarHBondContact O-N 2.94Å
107E81.1Confident76Confident53 Ų5363.9 Ų63.925%0.24834%0.336CS..Hα-helixtrans-62.4-43.6177.4-75.3-65.3160.900111.4L70 L103 R109 S110 I111L70-E107 HydrophobicContact CD2-CB 3.67Å; L103-E107 WeakPolarHBondContact O-CB 3.2Å; L103-E107 WeakPolarHBondContact O-CG 3.26Å; L103-E107 PolarHBondContact O-N 3.01Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.46Å; E107-S110 WeakPolarHBondContact O-CB 3.27Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 VanDerWaalsContact O-N 3.17Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.21Å
108I81.3Confident74.7Confident11 Ų1168.1 Ų68.16%0.05636%0.363CS..Hα-helixtrans-63-41.9175.9-67173.2000110.7L38 L70 I104 E106 S110 I111 M112L38-I108 HydrophobicContact CD1-CD1 3.34Å; L38-I108 HydrophobicContact CD1-CG1 4.48Å; L38-I108 HydrophobicContact CD1-CG2 3.94Å; L38-I108 HydrophobicContact CD2-CD1 3.37Å; L38-I108 HydrophobicContact CG-CD1 3.91Å; L70-I108 HydrophobicContact CD1-CD1 3.69Å; L70-I108 HydrophobicContact CD1-CG1 3.72Å; L70-I108 HydrophobicContact CD2-CD1 4.5Å; L70-I108 HydrophobicContact CD2-CG1 3.64Å; L70-I108 HydrophobicContact CG-CG1 4.34Å; I104-I108 HydrophobicContact CG2-CD1 3.83Å; I104-I108 WeakPolarHBondContact O-CB 3.47Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.38Å; E106-I108 PolarHBondContact O-N 3Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.02Å; I108-I111 PolarHBondContact O-N 2.83Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 2.93Å
109R82.4Confident73.2Confident157 Ų15768.2 Ų68.259%0.59237%0.368SS*.Hα-helixtrans-60.4-42175.4-169-175.7-61.2110.81.6111A105 E106 E107 M112 T113A105-R109 WeakPolarHBondContact O-CB 3.47Å; A105-R109 PolarHBondContact O-N 2.93Å; E106-R109 WeakPolarHBondContact O-CB 3.34Å; E106-R109 PolarHBondContact O-N 3.26Å; E107-R109 VanDerWaalsContact C-N 3.32Å; E107-R109 PolarHBondContact O-N 3.46Å; R109-M112 PolarHBondContact O-N 3.12Å; R109-T113 WeakPolarHBondContact O-CG2 3.47Å; R109-T113 PolarHBondContact O-N 3.48Å; R109-T113 PolarHBondContact O-OG1 3.31Å
110S81.6Confident71.7Confident36 Ų3673.8 Ų73.825%0.25240%0.396SS..Hα-helixtrans-61.6-41.7175.7-162.40000112.2E106 E107 I108 T113 K114E106-S110 PolarHBondContact O-N 2.94Å; E107-S110 WeakPolarHBondContact O-CB 3.27Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 VanDerWaalsContact O-N 3.17Å; I108-S110 VanDerWaalsContact C-N 3.3Å; I108-S110 PolarHBondContact O-N 3.02Å; S110-T113 WeakPolarHBondContact CA-OG1 3.45Å; S110-T113 PolarHBondContact O-N 2.9Å; S110-T113 PolarHBondContact O-OG1 3.47Å; S110-T113 VanDerWaalsContact O-OG1 3.07Å; S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CD 3.46Å; S110-K114 WeakPolarHBondContact O-CG 3.27Å; S110-K114 PolarHBondContact O-N 2.92Å; S110-K114 WeakPolarHBondContact OG-CE 3.36Å; S110-K114 PolarHBondContact OG-NZ 3.43Å
111I78.4Confident70.6Confident12 Ų1275.9 Ų75.96%0.06241%0.411CS..Hα-helixtrans-66.2-45.7177.6-66.3162.6000110.1A61 H63 H68 L70 E107 I108 T113 K114 T115A61-I111 HydrophobicContact CB-CD1 4.16Å; H63-I111 HydrophobicContact CB-CG2 4.4Å; H68-I111 HydrophobicContact CB-CD1 3.75Å; H68-I111 HydrophobicContact CB-CG1 4.49Å; L70-I111 HydrophobicContact CD2-CD1 3.89Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.21Å; I108-I111 PolarHBondContact O-N 2.83Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.38Å; I111-K114 PolarHBondContact O-N 3.15Å; I111-T115 PolarHBondContact O-N 3.38Å; I111-T115 PolarHBondContact O-OG1 3.43Å
112M75.3Confident69.4Low63 Ų6377.7 Ų77.731%0.3142%0.423SS..Hα-helixtrans-64-35.4179.2-67.4-67103.900112.5V17 L34 I108 R109V17-M112 HydrophobicContact CG1-CE 3.48Å; V17-M112 VanDerWaalsContact CG1-CE 3.48Å; L34-M112 HydrophobicContact CD2-SD 4.2Å; I108-M112 HydrophobicContact CG2-CG 4.28Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.42Å; I108-M112 PolarHBondContact O-N 2.93Å; R109-M112 PolarHBondContact O-N 3.12Å
113T77.8Confident68.7Low110 Ų11074.8 Ų74.868%0.67541%0.408SS*.Hα-helixtrans-78.2-31.8176.949.30000113.7R109 S110 I111 T115R109-T113 WeakPolarHBondContact O-CG2 3.47Å; R109-T113 PolarHBondContact O-N 3.48Å; R109-T113 PolarHBondContact O-OG1 3.31Å; S110-T113 WeakPolarHBondContact CA-OG1 3.45Å; S110-T113 PolarHBondContact O-N 2.9Å; S110-T113 PolarHBondContact O-OG1 3.47Å; S110-T113 VanDerWaalsContact O-OG1 3.07Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.38Å; T113-T115 PolarHBondContact O-N 3.31Å
114K70.8Confident68.2Low146 Ų14673.6 Ų73.664%0.63540%0.402SS*.Hα-helixtrans-74.1-12175.1-75.9169.4-179.5157.70113.7S110 I111 E116S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 2.95Å; S110-K114 WeakPolarHBondContact O-CD 3.46Å; S110-K114 WeakPolarHBondContact O-CG 3.27Å; S110-K114 PolarHBondContact O-N 2.92Å; S110-K114 WeakPolarHBondContact OG-CE 3.36Å; S110-K114 PolarHBondContact OG-NZ 3.43Å; I111-K114 PolarHBondContact O-N 3.15Å; K114-E116 VanDerWaalsContact C-N 3.33Å; K114-E116 PolarHBondContact O-N 2.93Å
115T64.4Low68Low27 Ų2776.2 Ų76.217%0.16642%0.416CS..  trans-76.386.6-177.3-58.20000110.1P19 H63 I111 T113 V117P19-T115 HydrophobicContact CG-CG2 4.09Å; H63-T115 PolarHBondContact NE2-OG1 3.05Å; I111-T115 PolarHBondContact O-N 3.38Å; I111-T115 PolarHBondContact O-OG1 3.43Å; T113-T115 PolarHBondContact O-N 3.31Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å
116E52.8Low68Low151 Ų15175 Ų7571%0.70640%0.404SS*.  trans-79.5117.1155.3-65.9-171.8172.900107.2Q65 K114 T118Q65-E116 PolarHBondContact NE2-O 2.96Å; K114-E116 VanDerWaalsContact C-N 3.33Å; K114-E116 PolarHBondContact O-N 2.93Å; E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 PolarHBondContact O-OG1 3.42Å
117V57.5Low68.1Low105 Ų10569.7 Ų69.764%0.63638%0.38SS*.  trans-74.873.2-178.7-1720000108.9T115 G119T115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-G119 PolarHBondContact O-N 3.28Å
118T44.1Very low68.3Low107 Ų10768.6 Ų68.666%0.65638%0.383SS*.  trans-92.685.7177.2-19.60000108.4E116E116-T118 PolarHBondContact O-N 2.91Å; E116-T118 PolarHBondContact O-OG1 3.42Å
119G41.5Very low68.6Low47 Ų4768 Ų6849%0.48538%0.38SS..SBendtrans108152.8164.300000116.4V117 S121V117-G119 PolarHBondContact O-N 3.28Å; G119-S121 PolarHBondContact O-N 2.86Å
120N47Very low68.9Low168 Ų16860.7 Ų60.790%0.89835%0.353SS*.SBendtrans-58.620.4-173.5-73.97.5000117.3T122N120-T122 PolarHBondContact O-N 2.77Å
121S53Low69.3Low49 Ų4960.7 Ų60.734%0.34336%0.355SS..  trans-8184.3175.152.80000110G119 D123G119-S121 PolarHBondContact O-N 2.86Å; S121-D123 PolarHBondContact O-N 2.79Å
122T57.4Low69.8Low80 Ų8063.7 Ų63.749%0.49137%0.368SS..  trans-72.7-4.7168.947.40000113N18 I20 N120N18-T122 PolarHBondContact ND2-O 2.71Å; I20-T122 HydrophobicContact CD1-CG2 3.88Å; N120-T122 PolarHBondContact O-N 2.77Å
123D66Low70.5Confident52 Ų5260.7 Ų60.728%0.27835%0.353SS..  trans-82.2135.5-169.8-63.7-11.9000111.5C64 S121 C163C64-D123 WeakPolarHBondContact CA-O 3.31Å; C64-D123 WeakPolarHBondContact CB-O 3.32Å; S121-D123 PolarHBondContact O-N 2.79Å; D123-C163 HydrophobicContact CB-CB 4.26Å; D123-C163 PolarHBondContact OD2-SG 3.06Å
124T70.8Confident71Confident7 Ų756.1 Ų56.14%0.04332%0.324CS..  trans-87.7131.3175.954.90000109.4D16 N18 L126 A160 Q166D16-T124 WeakPolarHBondContact OD1-CG2 3.42Å; N18-T124 HydrophobicContact CB-CG2 3.83Å; T124-L126 PolarHBondContact O-N 2.97Å; T124-A160 HydrophobicContact CG2-CB 3.6Å; T124-Q166 VanDerWaalsContact O-CD 3.26Å; T124-Q166 PolarHBondContact O-NE2 3.2Å; T124-Q166 PolarHBondContact O-OE1 2.83Å
125L78.2Confident71.9Confident62 Ų6253.4 Ų53.433%0.32532%0.323SS..  trans-81.653.6-178.1-71.9158.1000112.3C64 Q65 A127 G128 S129C64-L125 WeakPolarHBondContact O-CD1 3.35Å; Q65-L125 VanDerWaalsContact C-CD1 3.45Å; Q65-L125 WeakPolarHBondContact O-CD1 3.5Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.46Å; L125-G128 PolarHBondContact O-N 3.49Å; L125-G128 VanDerWaalsContact O-N 3.13Å; L125-S129 PolarHBondContact O-N 2.05Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 2.95Å
126L83.4Confident73Confident12 Ų1253.4 Ų53.46%0.06332%0.32CS..Hα-helixtrans-61.5-40.2-174.4-17960.5000112.4V14 T124 G128 S129 L130 V156 F170V14-L126 HydrophobicContact CG1-CD1 3.99Å; T124-L126 PolarHBondContact O-N 2.97Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.39Å; L126-S129 PolarHBondContact O-N 3.02Å; L126-L130 HydrophobicContact CD1-CD1 4.38Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.47Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-V156 HydrophobicContact CD1-CG1 3.65Å; L126-V156 HydrophobicContact CD2-CG1 4.18Å; L126-F170 HydrophobicContact CD2-CD2 4.26Å; L126-F170 HydrophobicContact CD2-CE2 3.49Å; L126-F170 VanDerWaalsContact CD2-CE2 3.49Å; L126-F170 HydrophobicContact CD2-CZ 4.1Å; L126-F170 HydrophobicContact CG-CD2 4.32Å; L126-F170 HydrophobicContact CG-CE2 3.83Å
127A84.9Confident74.7Confident8 Ų846.6 Ų46.67%0.06629%0.288CS..Hα-helixtrans-60.6-37.2177.500000112.4L125 A131 N169 F170L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.46Å; A127-A131 WeakPolarHBondContact O-CB 3Å; A127-A131 PolarHBondContact O-N 3.16Å; A127-N169 HydrophobicContact CB-CB 3.98Å; A127-F170 HydrophobicContact CB-CB 4.32Å
128G86.1Confident76.2Confident30 Ų3044.6 Ų44.631%0.30927%0.274SS..Hα-helixtrans-69.2-41.8176.800000112.5L125 L126 A131 K132L125-G128 PolarHBondContact O-N 3.49Å; L125-G128 VanDerWaalsContact O-N 3.13Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.39Å; G128-A131 PolarHBondContact O-N 3.11Å; G128-K132 PolarHBondContact O-N 2.9Å
129S87.6Confident78.2Confident0 Ų044.2 Ų44.20%026%0.261CS..Hα-helixtrans-63.2-43.4176.4-59.20000112S62 S67 L125 L126 K132 A133S62-S129 VanDerWaalsContact CB-OG 3.26Å; S62-S129 WeakPolarHBondContact CB-OG 3.46Å; S62-S129 PolarHBondContact OG-OG 2.85Å; S62-S129 VanDerWaalsContact OG-OG 3.05Å; S67-S129 VanDerWaalsContact CB-OG 3.24Å; S67-S129 WeakPolarHBondContact CB-OG 3.26Å; L125-S129 PolarHBondContact O-N 2.05Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-S129 PolarHBondContact O-OG 2.95Å; L126-S129 PolarHBondContact O-N 3.02Å; S129-K132 PolarHBondContact O-N 3.29Å; S129-A133 PolarHBondContact O-N 3.23Å
130L88.6Confident80.2Confident2 Ų242 Ų421%0.0124%0.238CC..Hα-helixtrans-67-39.3175.9-73174.4000112.5V14 L126 K132 A133 L134 I154 V156 F170 V173V14-L130 HydrophobicContact CG2-CD2 4.32Å; L126-L130 HydrophobicContact CD1-CD1 4.38Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.47Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L130-K132 VanDerWaalsContact C-N 3.32Å; L130-K132 PolarHBondContact O-N 3.49Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.4Å; L130-I154 HydrophobicContact CD2-CG2 3.78Å; L130-V156 HydrophobicContact CD2-CG2 3.8Å; L130-F170 HydrophobicContact CD1-CD2 3.92Å; L130-F170 HydrophobicContact CD1-CE2 3.4Å; L130-F170 HydrophobicContact CD1-CZ 4.33Å; L130-V173 HydrophobicContact CB-CG1 3.52Å; L130-V173 HydrophobicContact CD1-CG1 4.48Å
131A89.5Confident81.9Confident37 Ų3737 Ų3731%0.30622%0.216SC..Hα-helixtrans-61.3-41.717400000111.6A127 G128 L134 C135 V173A127-A131 WeakPolarHBondContact O-CB 3Å; A127-A131 PolarHBondContact O-N 3.16Å; G128-A131 PolarHBondContact O-N 3.11Å; A131-L134 PolarHBondContact O-N 2.77Å; A131-C135 WeakPolarHBondContact O-CB 3.49Å; A131-C135 PolarHBondContact O-N 2.8Å; A131-C135 PolarHBondContact O-SG 2.88Å; A131-V173 HydrophobicContact CB-CG2 4.15Å
132K89.1Confident83.4Confident74 Ų7442.4 Ų42.432%0.32223%0.233SC..Hα-helixtrans-62.3-41.8173.4-78.5179.3179.2167.20112.1I60 S67 F69 G128 S129 L130 C135 Y136I60-K132 HydrophobicContact CD1-CB 4.5Å; S67-K132 PolarHBondContact O-NZ 2.78Å; S67-K132 WeakPolarHBondContact OG-CD 3.42Å; S67-K132 WeakPolarHBondContact OG-CE 3.4Å; S67-K132 PolarHBondContact OG-NZ 2.79Å; F69-K132 HydrophobicContact CE2-CB 3.95Å; F69-K132 HydrophobicContact CE2-CD 4.06Å; F69-K132 HydrophobicContact CE2-CG 4.28Å; F69-K132 HydrophobicContact CZ-CB 3.87Å; G128-K132 PolarHBondContact O-N 2.9Å; S129-K132 PolarHBondContact O-N 3.29Å; L130-K132 VanDerWaalsContact C-N 3.32Å; L130-K132 PolarHBondContact O-N 3.49Å; K132-C135 PolarHBondContact O-N 2.77Å; K132-Y136 WeakPolarHBondContact O-CB 3.31Å; K132-Y136 PolarHBondContact O-N 3.42Å
133A89.7Confident84.5Confident0 Ų044.3 Ų44.30%024%0.236CC..Hα-helixtrans-57.6-51.2174.300000111.6V12 I60 S129 L130 C135 Y136 I137 I154V12-A133 HydrophobicContact CG1-CB 3.79Å; I60-A133 HydrophobicContact CD1-CB 3.83Å; S129-A133 PolarHBondContact O-N 3.23Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 3.33Å; A133-C135 PolarHBondContact O-N 2.94Å; A133-Y136 WeakPolarHBondContact O-CB 3.16Å; A133-Y136 PolarHBondContact O-N 3.37Å; A133-I137 VanDerWaalsContact O-CG1 3.27Å; A133-I137 WeakPolarHBondContact O-CG1 3.48Å; A133-I137 PolarHBondContact O-N 3Å; A133-I154 HydrophobicContact CB-CD1 4.23Å
134L89.2Confident85Confident14 Ų1443.5 Ų43.57%0.07323%0.232CC..Hα-helixtrans-62.3-41.7179.2-67.2179.8000112.4L130 A131 Y136 I137 N138 I154 V173 A176 A177 I182L130-L134 WeakPolarHBondContact O-CG 3.37Å; L130-L134 PolarHBondContact O-N 3.4Å; A131-L134 PolarHBondContact O-N 2.77Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.2Å; L134-I137 PolarHBondContact O-N 3.21Å; L134-N138 WeakPolarHBondContact O-CB 3.27Å; L134-N138 PolarHBondContact O-N 3.38Å; L134-I154 HydrophobicContact CD2-CD1 3.86Å; L134-V173 HydrophobicContact CD1-CG1 3.67Å; L134-V173 WeakPolarHBondContact CD1-O 3.35Å; L134-A176 HydrophobicContact CD1-CB 4.21Å; L134-A177 HydrophobicContact CD1-CB 4.15Å; L134-A177 HydrophobicContact CD2-CB 3.84Å; L134-I182 HydrophobicContact CD2-CD1 3.61Å
135C89.1Confident84.5Confident89 Ų8951.1 Ų51.160%0.60127%0.267SS*.Hα-helixtrans-62.2-40.9175-73.70000112A131 K132 A133 N138 R139A131-C135 WeakPolarHBondContact O-CB 3.49Å; A131-C135 PolarHBondContact O-N 2.8Å; A131-C135 PolarHBondContact O-SG 2.88Å; K132-C135 PolarHBondContact O-N 2.77Å; A133-C135 PolarHBondContact O-N 2.94Å; C135-N138 PolarHBondContact O-N 3.01Å; C135-R139 PolarHBondContact O-N 3.42Å
136Y88.4Confident83.5Confident28 Ų2856 Ų5611%0.1130%0.299CS..Hα-helixtrans-64.2-47.1176.2178.2-97.5000111.3L10 A58 F69 P72 K132 A133 L134 N138 R139 V140L10-Y136 HydrophobicContact CD1-CE1 4.18Å; L10-Y136 HydrophobicContact CD2-CD1 4.18Å; L10-Y136 HydrophobicContact CD2-CE1 3.98Å; A58-Y136 HydrophobicContact CB-CD1 4.1Å; A58-Y136 HydrophobicContact CB-CE1 3.71Å; F69-Y136 HydrophobicContact CE1-CD2 4.33Å; F69-Y136 HydrophobicContact CE1-CG 4.24Å; P72-Y136 HydrophobicContact CG-CE2 3.87Å; K132-Y136 WeakPolarHBondContact O-CB 3.31Å; K132-Y136 PolarHBondContact O-N 3.42Å; A133-Y136 WeakPolarHBondContact O-CB 3.16Å; A133-Y136 PolarHBondContact O-N 3.37Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 3.2Å; Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.24Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 2.87Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; Y136-V140 HydrophobicContact CD1-CG2 4.18Å; Y136-V140 HydrophobicContact CD2-CG2 4.46Å; Y136-V140 HydrophobicContact CE1-CG2 3.75Å; Y136-V140 HydrophobicContact CE2-CG2 4.08Å; Y136-V140 WeakPolarHBondContact O-CG2 3.43Å; Y136-V140 PolarHBondContact O-N 3.44Å
137I87.4Confident82.4Confident7 Ų758.6 Ų58.64%0.03633%0.329CS..Hα-helixtrans-57.3-45.9175.8-66.7163.6000110.5L10 V12 A133 L134 R139 V140 S141 S152 I154 I182L10-I137 HydrophobicContact CD2-CB 4.43Å; L10-I137 HydrophobicContact CD2-CG1 3.76Å; V12-I137 HydrophobicContact CG2-CD1 3.84Å; V12-I137 HydrophobicContact CG2-CG1 3.84Å; A133-I137 VanDerWaalsContact O-CG1 3.27Å; A133-I137 WeakPolarHBondContact O-CG1 3.48Å; A133-I137 PolarHBondContact O-N 3Å; L134-I137 PolarHBondContact O-N 3.21Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.94Å; I137-V140 PolarHBondContact O-N 3.33Å; I137-S141 VanDerWaalsContact O-CB 3.29Å; I137-S141 WeakPolarHBondContact O-CB 3.3Å; I137-S141 PolarHBondContact O-N 2.68Å; I137-S152 VanDerWaalsContact CG2-OG 3.27Å; I137-S152 WeakPolarHBondContact CG2-OG 3.15Å; I137-I154 HydrophobicContact CD1-CD1 3.93Å; I137-I154 HydrophobicContact CD1-CG1 3.92Å; I137-I182 HydrophobicContact CB-CD1 4.49Å; I137-I182 HydrophobicContact CD1-CD1 3.97Å; I137-I182 HydrophobicContact CD1-CG2 4.41Å; I137-I182 HydrophobicContact CG2-CD1 3.87Å
138N88.3Confident81.7Confident64 Ų6462.1 Ų62.134%0.34234%0.344SS..Hα-helixtrans-65.9-33.9178.9-169.743.9000112.9L134 C135 Y136 K142L134-N138 WeakPolarHBondContact O-CB 3.27Å; L134-N138 PolarHBondContact O-N 3.38Å; C135-N138 PolarHBondContact O-N 3.01Å; Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.24Å; N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.32Å
139R87.2Confident80.9Confident99 Ų9967.4 Ų67.437%0.37436%0.361SS..Hα-helixtrans-64.6-51.8172.8-179.6177.870159.45.1110.3E77 C135 Y136 I137 S141 K142 E143E77-R139 IonicContact OE2-NH1 3.8Å; C135-R139 PolarHBondContact O-N 3.42Å; Y136-R139 WeakPolarHBondContact O-CB 3.43Å; Y136-R139 PolarHBondContact O-N 2.87Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; I137-R139 VanDerWaalsContact C-N 3.33Å; I137-R139 PolarHBondContact O-N 2.94Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.76Å; R139-K142 WeakPolarHBondContact O-CB 3.46Å; R139-K142 PolarHBondContact O-N 2.96Å; R139-E143 WeakPolarHBondContact CG-OE1 3.15Å; R139-E143 PolarHBondContact O-N 2.85Å; R139-E143 VanDerWaalsContact O-N 3.12Å
140V83.7Confident80.3Confident1 Ų169.3 Ų69.31%0.00637%0.37CS..Hα-helixtrans-62.1-38.8-179.2176.10000111.4Y136 I137 K142 E143 L144 M150Y136-V140 HydrophobicContact CD1-CG2 4.18Å; Y136-V140 HydrophobicContact CD2-CG2 4.46Å; Y136-V140 HydrophobicContact CE1-CG2 3.75Å; Y136-V140 HydrophobicContact CE2-CG2 4.08Å; Y136-V140 WeakPolarHBondContact O-CG2 3.43Å; Y136-V140 PolarHBondContact O-N 3.44Å; I137-V140 PolarHBondContact O-N 3.33Å; V140-K142 PolarHBondContact O-N 3.29Å; V140-E143 PolarHBondContact O-N 2.82Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CD1 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.7Å; V140-M150 HydrophobicContact CB-CE 3.96Å; V140-M150 HydrophobicContact CG1-CE 3.45Å; V140-M150 VanDerWaalsContact CG1-CE 3.45Å; V140-M150 HydrophobicContact CG1-SD 3.99Å
141S83.3Confident80Confident63 Ų6371.6 Ų71.644%0.44138%0.38SS..Hα-helixtrans-62.9-28.6175.4177.60000113.1I137 R139I137-S141 VanDerWaalsContact O-CB 3.29Å; I137-S141 WeakPolarHBondContact O-CB 3.3Å; I137-S141 PolarHBondContact O-N 2.68Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.76Å
142K83.3Confident79.7Confident162 Ų16270.7 Ų70.770%0.70437%0.371SS*.Hα-helixtrans-84.2-25.8176.3-74178.6179.3-173.80113.7N138 R139 V140 L144N138-K142 WeakPolarHBondContact O-CG 3.17Å; N138-K142 PolarHBondContact O-N 3.32Å; R139-K142 WeakPolarHBondContact O-CB 3.46Å; R139-K142 PolarHBondContact O-N 2.96Å; V140-K142 PolarHBondContact O-N 3.29Å; K142-L144 VanDerWaalsContact C-N 3.29Å
143E81.9Confident79.5Confident119 Ų11968.4 Ų68.456%0.55636%0.361SS*.Hα-helixtrans-77.2-17.4177.2-72.7169.7-175.900112.4R139 V140R139-E143 WeakPolarHBondContact CG-OE1 3.15Å; R139-E143 PolarHBondContact O-N 2.85Å; R139-E143 VanDerWaalsContact O-N 3.12Å; V140-E143 PolarHBondContact O-N 2.82Å
144L76.2Confident79.6Confident36 Ų3668.4 Ų68.419%0.18836%0.361CS..SBendtrans-78.2141.6177.7-73.4160.1000112L8 V140 K142 M150L8-L144 HydrophobicContact CD1-CD1 4.36Å; L8-L144 HydrophobicContact CD1-CD2 3.74Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CD1 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.7Å; K142-L144 VanDerWaalsContact C-N 3.29Å; L144-M150 HydrophobicContact CD1-CB 4Å; L144-M150 HydrophobicContact CD1-CG 4.06Å; L144-M150 HydrophobicContact CD1-SD 3.54Å; L144-M150 VanDerWaalsContact CD1-SD 3.54Å
145E60.1Low79.5Confident166 Ų16667.9 Ų67.978%0.77636%0.358SS*.  trans-70.6157179.8-65.3-175.4172.200112.5G147 Q148E145-G147 PolarHBondContact O-N 2.71Å; E145-Q148 PolarHBondContact O-N 3.2Å
146V56.8Low79.5Confident165 Ų16563.7 Ų63.7100%133%0.329SS*.THydrogen-bonded Turntrans-65.395.7-179.6-176.40000109.9
147G60.8Low79.4Confident66 Ų6662.6 Ų62.668%0.6833%0.325SS*.THydrogen-bonded Turntrans149.8-17177.400000115.3E145E145-G147 PolarHBondContact O-N 2.71Å
148Q68.7Low79.3Confident83 Ų8362.4 Ų62.439%0.38832%0.324SS..  trans-91.1126176.1-74.8178.7-1300111.3D6 E145D6-Q148 HydrophobicContact CB-CG 4.47Å; E145-Q148 PolarHBondContact O-N 3.2Å
149E69.6Low79Confident141 Ų14159.5 Ų59.566%0.65931%0.309SS*.EExtended strand (participates in β ladder)trans-86.9123.4171.4-68.2-168.3174.900109.1L8L8-E149 PolarHBondContact N-O 2.72Å; L8-E149 VanDerWaalsContact N-O 3.09Å
150M76Confident78.5Confident39 Ų3955.1 Ų55.119%0.19229%0.294CS..EExtended strand (participates in β ladder)trans-102.8114-179-174.2-178.3-179.400110L8 L10 V140 L144 S152L8-M150 HydrophobicContact CD2-CE 4.11Å; L8-M150 HydrophobicContact CD2-CG 4.04Å; L8-M150 CarbonylContact O-C 3.43Å; L8-M150 WeakPolarHBondContact O-CA 3.37Å; L10-M150 HydrophobicContact CB-CE 3.35Å; L10-M150 HydrophobicContact CD2-CE 3.18Å; L10-M150 HydrophobicContact CG-CE 3.86Å; V140-M150 HydrophobicContact CB-CE 3.96Å; V140-M150 HydrophobicContact CG1-CE 3.45Å; V140-M150 VanDerWaalsContact CG1-CE 3.45Å; V140-M150 HydrophobicContact CG1-SD 3.99Å; L144-M150 HydrophobicContact CD1-CB 4Å; L144-M150 HydrophobicContact CD1-CG 4.06Å; L144-M150 HydrophobicContact CD1-SD 3.54Å; L144-M150 VanDerWaalsContact CD1-SD 3.54Å; M150-S152 WeakPolarHBondContact CE-OG 3.4Å
151K81.3Confident78Confident50 Ų5059.8 Ų59.822%0.21732%0.319CS..EExtended strand (participates in β ladder)trans-91.6113.2170.8-70.4174.7179.71630108.3E7 L8 N9 L10 D229E7-K151 VanDerWaalsContact CD-NZ 3.29Å; E7-K151 IonicContact OE1-NZ 2.77Å; E7-K151 PolarHBondContact OE1-NZ 2.77Å; E7-K151 IonicContact OE2-NZ 3.96Å; E7-K151 PolarHBondContact OE2-NZ 3.15Å; L8-K151 PolarHBondContact O-N 3.04Å; N9-K151 CarbonylContact C-O 3.51Å; N9-K151 WeakPolarHBondContact CA-O 3.46Å; N9-K151 WeakPolarHBondContact OD1-CB 3.26Å; L10-K151 PolarHBondContact N-O 3.43Å; K151-D229 IonicContact NZ-OD2 2.7Å; K151-D229 PolarHBondContact NZ-OD2 3.25Å
152S84.2Confident77.4Confident18 Ų1859.5 Ų59.513%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-106.4136.4178.3-610000110.7L10 I137 M150L10-S152 WeakPolarHBondContact O-CA 3.4Å; I137-S152 VanDerWaalsContact CG2-OG 3.27Å; I137-S152 WeakPolarHBondContact CG2-OG 3.15Å; M150-S152 WeakPolarHBondContact CE-OG 3.4Å
153R85.1Confident76.7Confident27 Ų2753.2 Ų53.210%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-131.9141.5175-176.5176.9-73.1172.31.9109.9L10 L11 V12 L183 D185 F226 P228L10-R153 PolarHBondContact O-N 2.82Å; L11-R153 HydrophobicContact CD1-CB 4.19Å; L11-R153 HydrophobicContact CD1-CG 4.19Å; V12-R153 PolarHBondContact N-O 2.47Å; R153-L183 HydrophobicContact CG-CB 4.43Å; R153-D185 WeakPolarHBondContact CD-OD2 3.27Å; R153-D185 IonicContact NE-OD2 3.66Å; R153-F226 PolarHBondContact NH1-O 2.86Å; R153-P228 PolarHBondContact NH1-O 2.82Å; R153-P228 PolarHBondContact NH2-O 3.45Å
154I90.1Very high76Confident0 Ų050.2 Ų50.20%028%0.284CS..EExtended strand (participates in β ladder)trans-113.2127.3173.7-58.3173.5000108V12 V14 L130 A133 L134 I137 V156 I182 L183 I184 D185V12-I154 HydrophobicContact CB-CG1 4.29Å; V12-I154 CarbonylContact O-C 3.58Å; V12-I154 VanDerWaalsContact O-CA 3.3Å; V12-I154 WeakPolarHBondContact O-CA 3.49Å; V14-I154 HydrophobicContact CG2-CG2 4.26Å; L130-I154 HydrophobicContact CD2-CG2 3.78Å; A133-I154 HydrophobicContact CB-CD1 4.23Å; L134-I154 HydrophobicContact CD2-CD1 3.86Å; I137-I154 HydrophobicContact CD1-CD1 3.93Å; I137-I154 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG2-CG2 4.09Å; I154-I182 HydrophobicContact CD1-CG2 3.87Å; I154-I182 HydrophobicContact CG1-CG2 3.83Å; I154-L183 PolarHBondContact N-O 3.47Å; I154-I184 HydrophobicContact CB-CG1 4.3Å; I154-I184 HydrophobicContact CD1-CG1 4.45Å; I154-I184 CarbonylContact O-C 3.55Å; I154-I184 WeakPolarHBondContact O-CA 3.01Å; I154-D185 PolarHBondContact O-N 3.49Å
155L88.1Confident75.8Confident3 Ų353.3 Ų53.32%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-107.3125.4167.4178.468.8000109L11 V12 I13 V14 M44 I157 D185 F226L11-L155 HydrophobicContact CD1-CB 4.44Å; V12-L155 PolarHBondContact O-N 2.95Å; I13-L155 CarbonylContact C-O 3.59Å; I13-L155 WeakPolarHBondContact CA-O 3.31Å; I13-L155 HydrophobicContact CG2-CD2 4.5Å; V14-L155 PolarHBondContact N-O 3.49Å; M44-L155 HydrophobicContact CE-CD2 3.09Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; L155-I157 HydrophobicContact CD2-CG1 4.29Å; L155-I157 HydrophobicContact CG-CG1 4.32Å; L155-D185 CarbonylContact C-O 3.6Å; L155-D185 WeakPolarHBondContact CA-O 2.91Å; L155-D185 HydrophobicContact CD1-CB 3.73Å; L155-F226 HydrophobicContact CD1-CD1 3.83Å; L155-F226 HydrophobicContact CD1-CE1 3.81Å; L155-F226 HydrophobicContact CD1-CG 4.48Å; L155-F226 HydrophobicContact CD1-CZ 4.41Å
156V89.1Confident76.5Confident1 Ų147 Ų471%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-106.9121.6175.2-178.50000109.1V14 L126 L130 I154 I184 D185 A186 C187V14-V156 HydrophobicContact CB-CG2 4.45Å; L126-V156 HydrophobicContact CD1-CG1 3.65Å; L126-V156 HydrophobicContact CD2-CG1 4.18Å; L130-V156 HydrophobicContact CD2-CG2 3.8Å; I154-V156 HydrophobicContact CG2-CG2 4.09Å; V156-I184 HydrophobicContact CG2-CG2 4.07Å; V156-D185 PolarHBondContact N-O 2.89Å; V156-A186 CarbonylContact O-C 3.6Å; V156-A186 WeakPolarHBondContact O-CA 3.41Å; V156-C187 PolarHBondContact O-N 3.24Å
157I86.7Confident77.6Confident5 Ų543 Ų433%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-104.7106.5171.4-57.9174.7000107.4I13 V14 D16 V41 L155 C187I13-I157 HydrophobicContact CG2-CD1 4.2Å; V14-I157 PolarHBondContact O-N 3.26Å; D16-I157 VanDerWaalsContact CB-O 3.27Å; D16-I157 WeakPolarHBondContact CB-O 3.1Å; D16-I157 PolarHBondContact N-O 2.73Å; V41-I157 HydrophobicContact CG2-CD1 3.33Å; L155-I157 HydrophobicContact CD2-CD1 4.33Å; L155-I157 HydrophobicContact CD2-CG1 4.29Å; L155-I157 HydrophobicContact CG-CG1 4.32Å; I157-C187 CarbonylContact C-O 3.59Å; I157-C187 WeakPolarHBondContact CA-O 3.27Å; I157-C187 HydrophobicContact CG1-CB 4.38Å
158K86Confident78.6Confident3 Ų344.4 Ų44.41%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-101.5126.6-176.6-178177.8170.969.90110.4A160 D161 D162 C187 V188 L189 L196K158-A160 WeakPolarHBondContact CE-O 3.38Å; K158-A160 WeakPolarHBondContact CG-O 3.19Å; K158-A160 PolarHBondContact NZ-O 2.92Å; K158-D161 PolarHBondContact NZ-O 3.49Å; K158-D162 WeakPolarHBondContact CE-OD1 3.42Å; K158-D162 VanDerWaalsContact CE-OD2 3.27Å; K158-D162 WeakPolarHBondContact CE-OD2 3.34Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 3.28Å; K158-D162 IonicContact NZ-OD2 2.65Å; K158-C187 PolarHBondContact N-O 3.25Å; K158-V188 HydrophobicContact CB-CG2 4.37Å; K158-L189 PolarHBondContact O-N 3.25Å; K158-L196 HydrophobicContact CB-CD2 4.18Å; K158-L196 HydrophobicContact CD-CD2 3.91Å
159A80.1Confident79.3Confident3 Ų345.2 Ų45.23%0.02524%0.235CC..  trans-108.4-47.5179.300000111.6D16 W21 W22 L189D16-A159 HydrophobicContact CB-CB 4.09Å; D16-A159 PolarHBondContact OD2-N 3.12Å; W21-A159 HydrophobicContact CD2-CB 4.02Å; W21-A159 VanDerWaalsContact CE2-O 3.25Å; W21-A159 HydrophobicContact CE3-CB 3.62Å; W21-A159 HydrophobicContact CH2-CB 4.27Å; W21-A159 HydrophobicContact CZ3-CB 3.74Å; W21-A159 PolarHBondContact NE1-O 3.49Å; W22-A159 HydrophobicContact CZ2-CB 4.36Å; A159-L189 HydrophobicContact CB-CD1 3.75Å
160A76.7Confident80.1Confident7 Ų739 Ų396%0.05821%0.206CC..SBendtrans-88.6166.2-175.200000113.2D16 N18 W21 T124 K158D16-A160 PolarHBondContact OD2-N 2.85Å; N18-A160 HydrophobicContact CB-CB 4.2Å; N18-A160 WeakPolarHBondContact ND2-CB 3.18Å; W21-A160 HydrophobicContact CB-CB 4.36Å; T124-A160 HydrophobicContact CG2-CB 3.6Å; K158-A160 WeakPolarHBondContact CE-O 3.38Å; K158-A160 WeakPolarHBondContact CG-O 3.19Å; K158-A160 PolarHBondContact NZ-O 2.92Å
161D73.4Confident80.7Confident99 Ų9937.7 Ų37.753%0.52920%0.2SC..PPolyproline II helixtrans-65.6162.2175.3-65.9-35.7000112.7K158 S191K158-D161 PolarHBondContact NZ-O 3.49Å; D161-S191 WeakPolarHBondContact OD1-CB 2.93Å; D161-S191 PolarHBondContact OD1-OG 3.43Å
162D70.9Confident81Confident57 Ų5740.5 Ų40.531%0.30522%0.217SC..PPolyproline II helixtrans-86.3142.3175.2-67.4-62.2000113.1K158 S193K158-D162 WeakPolarHBondContact CE-OD1 3.42Å; K158-D162 VanDerWaalsContact CE-OD2 3.27Å; K158-D162 WeakPolarHBondContact CE-OD2 3.34Å; K158-D162 IonicContact NZ-OD1 2.82Å; K158-D162 PolarHBondContact NZ-OD1 3.28Å; K158-D162 IonicContact NZ-OD2 2.65Å; D162-S193 WeakPolarHBondContact OD2-CB 3.39Å; D162-S193 PolarHBondContact OD2-OG 3.04Å
163C68.6Low81.3Confident29 Ų2940.6 Ų40.620%0.19622%0.217CC..PPolyproline II helixtrans-100124.7168.1-175.10000111D123 L165 Q166D123-C163 HydrophobicContact CB-CB 4.26Å; D123-C163 PolarHBondContact OD2-SG 3.06Å; C163-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 VanDerWaalsContact SG-CB 3.59Å; C163-Q166 PolarHBondContact O-N 3.35Å; C163-Q166 VanDerWaalsContact O-N 3.08Å
164A67.9Low81.6Confident56 Ų5639.3 Ų39.346%0.46321%0.212SC..G310 helixtrans-60.5-20.1176.900000113.6Q166 Y167A164-Q166 PolarHBondContact O-N 2.95Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.65Å
165L71.6Confident81.6Confident101 Ų10144.4 Ų44.453%0.52924%0.235SC..G310 helixtrans-61.4-33.4174.8-73.6167000112.4C163 Y167C163-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 VanDerWaalsContact SG-CB 3.59Å; L165-Y167 VanDerWaalsContact C-N 3.34Å
166Q74.9Confident81.6Confident33 Ų3346.4 Ų46.415%0.15425%0.252CS..G310 helixtrans-87.9-4.1-174-60.3-170.716.700113.4T124 C163 A164 M168 N169 F170T124-Q166 VanDerWaalsContact O-CD 3.26Å; T124-Q166 PolarHBondContact O-NE2 3.2Å; T124-Q166 PolarHBondContact O-OE1 2.83Å; C163-Q166 PolarHBondContact O-N 3.35Å; C163-Q166 VanDerWaalsContact O-N 3.08Å; A164-Q166 PolarHBondContact O-N 2.95Å; Q166-M168 VanDerWaalsContact C-N 3.34Å; Q166-M168 PolarHBondContact O-N 3.38Å; Q166-N169 PolarHBondContact O-N 3.01Å; Q166-F170 VanDerWaalsContact O-CB 3.27Å; Q166-F170 WeakPolarHBondContact O-CB 3.3Å; Q166-F170 PolarHBondContact O-N 3.08Å
167Y79.1Confident81.7Confident82 Ų8246.4 Ų46.432%0.32225%0.251SS..Hα-helixtrans-50.2-49.4-175.7174.3-95.1000113.2A164 L165 F170 M171 L195A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.65Å; L165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-F170 PolarHBondContact O-N 3.09Å; Y167-M171 HydrophobicContact CD2-CE 4.37Å; Y167-M171 HydrophobicContact CD2-CG 4.28Å; Y167-M171 HydrophobicContact CE1-CG 4.11Å; Y167-M171 HydrophobicContact CE2-CE 3.56Å; Y167-M171 HydrophobicContact CE2-CG 3.86Å; Y167-M171 WeakPolarHBondContact O-CB 3.39Å; Y167-M171 WeakPolarHBondContact O-CG 3.28Å; Y167-M171 PolarHBondContact O-N 2.8Å; Y167-L195 HydrophobicContact CD2-CD1 4.43Å; Y167-L195 HydrophobicContact CD2-CD2 3.63Å; Y167-L195 HydrophobicContact CD2-CG 3.79Å; Y167-L195 HydrophobicContact CE2-CG 4.35Å; Y167-L195 HydrophobicContact CG-CD2 4.35Å
168M82Confident81.8Confident95 Ų9550.5 Ų50.547%0.46827%0.27SS..Hα-helixtrans-63.5-47.9-178.1-76.3-175.2-86.300112.2Q166 F170 M171 N172 F251Q166-M168 VanDerWaalsContact C-N 3.34Å; Q166-M168 PolarHBondContact O-N 3.38Å; M168-F170 VanDerWaalsContact C-N 3.31Å; M168-F170 PolarHBondContact O-N 3.28Å; M168-M171 PolarHBondContact O-N 2.84Å; M168-N172 PolarHBondContact O-N 2.95Å; M168-N172 PolarHBondContact O-ND2 2.79Å; M168-F251 HydrophobicContact CE-CD1 4.5Å; M168-F251 HydrophobicContact CE-CE1 3.44Å; M168-F251 VanDerWaalsContact CE-CE1 3.44Å; M168-F251 HydrophobicContact CE-CZ 3.94Å; M168-F251 HydrophobicContact CG-CZ 4.28Å; M168-F251 HydrophobicContact SD-CE1 3.63Å; M168-F251 HydrophobicContact SD-CZ 3.54Å; M168-F251 VanDerWaalsContact SD-CZ 3.54Å
169N84.6Confident82Confident101 Ų10159.5 Ų59.554%0.5431%0.31SS..Hα-helixtrans-65.5-40.1-178.9-66-15000110.7A127 Q166 V173A127-N169 HydrophobicContact CB-CB 3.98Å; Q166-N169 PolarHBondContact O-N 3.01Å; N169-V173 VanDerWaalsContact O-CG2 3.26Å; N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3.35Å
170F85.6Confident82.1Confident9 Ų963.3 Ų63.34%0.03933%0.327CS..Hα-helixtrans-63.1-48.9177.2-172.1-110000111.8L126 A127 L130 Q166 Y167 M168 N172 V173 I174 L195 L196 A199L126-F170 HydrophobicContact CD2-CD2 4.26Å; L126-F170 HydrophobicContact CD2-CE2 3.49Å; L126-F170 VanDerWaalsContact CD2-CE2 3.49Å; L126-F170 HydrophobicContact CD2-CZ 4.1Å; L126-F170 HydrophobicContact CG-CD2 4.32Å; L126-F170 HydrophobicContact CG-CE2 3.83Å; A127-F170 HydrophobicContact CB-CB 4.32Å; L130-F170 HydrophobicContact CD1-CD2 3.92Å; L130-F170 HydrophobicContact CD1-CE2 3.4Å; L130-F170 HydrophobicContact CD1-CZ 4.33Å; Q166-F170 VanDerWaalsContact O-CB 3.27Å; Q166-F170 WeakPolarHBondContact O-CB 3.3Å; Q166-F170 PolarHBondContact O-N 3.08Å; Y167-F170 PolarHBondContact O-N 3.09Å; M168-F170 VanDerWaalsContact C-N 3.31Å; M168-F170 PolarHBondContact O-N 3.28Å; F170-N172 PolarHBondContact O-N 2.85Å; F170-V173 PolarHBondContact O-N 2.97Å; F170-I174 HydrophobicContact CD1-CD1 3.43Å; F170-I174 VanDerWaalsContact CD1-CD1 3.43Å; F170-I174 HydrophobicContact CE1-CD1 3.27Å; F170-I174 HydrophobicContact CE1-CG1 4.39Å; F170-I174 HydrophobicContact CE2-CD1 4.44Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.8Å; F170-I174 WeakPolarHBondContact O-CG1 2.98Å; F170-I174 PolarHBondContact O-N 3.34Å; F170-L195 HydrophobicContact CD1-CB 4.25Å; F170-L195 HydrophobicContact CD1-CD2 4.23Å; F170-L195 HydrophobicContact CE1-CB 4.06Å; F170-L196 HydrophobicContact CZ-CD1 3.75Å; F170-A199 HydrophobicContact CE1-CB 4.06Å; F170-A199 HydrophobicContact CZ-CB 4.18Å
171M88Confident82.5Confident13 Ų1369.9 Ų69.96%0.06436%0.361CS..Hα-helixtrans-61.2-42.3177.6-77.1-62.1176.400112.9Y167 M168 V173 I174 F175 Q198 I202Y167-M171 HydrophobicContact CD2-CE 4.37Å; Y167-M171 HydrophobicContact CD2-CG 4.28Å; Y167-M171 HydrophobicContact CE1-CG 4.11Å; Y167-M171 HydrophobicContact CE2-CE 3.56Å; Y167-M171 HydrophobicContact CE2-CG 3.86Å; Y167-M171 WeakPolarHBondContact O-CB 3.39Å; Y167-M171 WeakPolarHBondContact O-CG 3.28Å; Y167-M171 PolarHBondContact O-N 2.8Å; M168-M171 PolarHBondContact O-N 2.84Å; M171-V173 PolarHBondContact O-N 3.25Å; M171-I174 PolarHBondContact O-N 2.95Å; M171-I174 VanDerWaalsContact O-N 3.16Å; M171-I174 HydrophobicContact SD-CD1 4.16Å; M171-F175 HydrophobicContact CB-CD2 4.46Å; M171-F175 HydrophobicContact CB-CE2 4.26Å; M171-F175 WeakPolarHBondContact O-CD2 3.37Å; M171-F175 PolarHBondContact O-N 3.24Å; M171-Q198 HydrophobicContact CE-CB 3.87Å; M171-Q198 HydrophobicContact CE-CG 4.48Å; M171-I202 HydrophobicContact SD-CD1 4.33Å
172N88.9Confident83.1Confident109 Ų10965.5 Ų65.558%0.58334%0.337SS*.Hα-helixtrans-59.5-38.4176.8-70.8-18.6000112.2M168 F170 A176M168-N172 PolarHBondContact O-N 2.95Å; M168-N172 PolarHBondContact O-ND2 2.79Å; F170-N172 PolarHBondContact O-N 2.85Å; N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.81Å
173V90.2Very high83.8Confident20 Ų2064.5 Ų64.512%0.12133%0.332CS..Hα-helixtrans-69.6-39177.4172.60000111.2L130 A131 L134 N169 F170 M171 A176 A177L130-V173 HydrophobicContact CB-CG1 3.52Å; L130-V173 HydrophobicContact CD1-CG1 4.48Å; A131-V173 HydrophobicContact CB-CG2 4.15Å; L134-V173 HydrophobicContact CD1-CG1 3.67Å; L134-V173 WeakPolarHBondContact CD1-O 3.35Å; N169-V173 VanDerWaalsContact O-CG2 3.26Å; N169-V173 WeakPolarHBondContact O-CG2 3.43Å; N169-V173 PolarHBondContact O-N 3.35Å; F170-V173 PolarHBondContact O-N 2.97Å; M171-V173 PolarHBondContact O-N 3.25Å; V173-A176 WeakPolarHBondContact O-CB 3.2Å; V173-A176 PolarHBondContact O-N 3.32Å; V173-A177 PolarHBondContact O-N 3.34Å
174I90.6Very high84.7Confident0 Ų063.3 Ų63.30%032%0.323CS..Hα-helixtrans-66.1-45.1176.6-65.9158.7000111.3F170 M171 A176 A177 Q178 A199 I202 T203F170-I174 HydrophobicContact CD1-CD1 3.43Å; F170-I174 VanDerWaalsContact CD1-CD1 3.43Å; F170-I174 HydrophobicContact CE1-CD1 3.27Å; F170-I174 HydrophobicContact CE1-CG1 4.39Å; F170-I174 HydrophobicContact CE2-CD1 4.44Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.8Å; F170-I174 WeakPolarHBondContact O-CG1 2.98Å; F170-I174 PolarHBondContact O-N 3.34Å; M171-I174 PolarHBondContact O-N 2.95Å; M171-I174 VanDerWaalsContact O-N 3.16Å; M171-I174 HydrophobicContact SD-CD1 4.16Å; I174-A176 PolarHBondContact O-N 2.92Å; I174-A177 WeakPolarHBondContact O-CB 3.05Å; I174-A177 PolarHBondContact O-N 3.38Å; I174-A177 VanDerWaalsContact O-N 3.1Å; I174-Q178 PolarHBondContact O-N 2.78Å; I174-A199 HydrophobicContact CD1-CB 3.27Å; I174-A199 HydrophobicContact CG1-CB 3.87Å; I174-A199 HydrophobicContact CG2-CB 4.37Å; I174-I202 HydrophobicContact CG2-CB 4.04Å; I174-I202 HydrophobicContact CG2-CD1 4.29Å; I174-I202 HydrophobicContact CG2-CG2 3.81Å; I174-T203 HydrophobicContact CG2-CG2 4.06Å
175F89.9Confident85.6Confident107 Ų10760.7 Ų60.747%0.46930%0.302SS..Hα-helixtrans-63.1-34.4175.9-72.8-58.6000111.9M171 K179 I202M171-F175 HydrophobicContact CB-CD2 4.46Å; M171-F175 HydrophobicContact CB-CE2 4.26Å; M171-F175 WeakPolarHBondContact O-CD2 3.37Å; M171-F175 PolarHBondContact O-N 3.24Å; F175-K179 PolarHBondContact O-N 3.32Å; F175-I202 HydrophobicContact CD1-CG2 4.36Å; F175-I202 HydrophobicContact CE1-CD1 4.22Å; F175-I202 HydrophobicContact CE1-CG2 4.32Å; F175-I202 HydrophobicContact CZ-CD1 4.25Å
176A89.8Confident86.2Confident45 Ų4555.9 Ų55.937%0.37228%0.276SS..Hα-helixtrans-65-43.2171.700000111.8L134 N172 V173 I174 K179 Q180L134-A176 HydrophobicContact CD1-CB 4.21Å; N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.81Å; V173-A176 WeakPolarHBondContact O-CB 3.2Å; V173-A176 PolarHBondContact O-N 3.32Å; I174-A176 PolarHBondContact O-N 2.92Å; A176-K179 PolarHBondContact O-N 3.15Å; A176-Q180 PolarHBondContact O-N 3.13Å; A176-Q180 VanDerWaalsContact O-N 3.12Å
177A89.6Confident86.6Confident0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-62.9-42.2176.100000112.3L134 V173 I174 K179 Q180 N181 I182 I184L134-A177 HydrophobicContact CD1-CB 4.15Å; L134-A177 HydrophobicContact CD2-CB 3.84Å; V173-A177 PolarHBondContact O-N 3.34Å; I174-A177 WeakPolarHBondContact O-CB 3.05Å; I174-A177 PolarHBondContact O-N 3.38Å; I174-A177 VanDerWaalsContact O-N 3.1Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.01Å; A177-Q180 CarbonylContact O-C 3.58Å; A177-Q180 WeakPolarHBondContact O-CA 3.19Å; A177-Q180 PolarHBondContact O-N 2.98Å; A177-Q180 VanDerWaalsContact O-N 3.1Å; A177-N181 PolarHBondContact O-N 2.8Å; A177-I182 PolarHBondContact O-N 3.21Å; A177-I182 VanDerWaalsContact O-N 3.07Å; A177-I184 HydrophobicContact CB-CD1 3.82Å; A177-I184 HydrophobicContact CB-CG1 4.46Å
178Q90.2Very high86.8Confident91 Ų9150.6 Ų50.643%0.42526%0.255SS..Hα-helixtrans-60.6-42.4175.7-171.4-172.719.600111.2I174 Q180 N181 I202I174-Q178 PolarHBondContact O-N 2.78Å; Q178-Q180 PolarHBondContact O-N 3.06Å; Q178-N181 PolarHBondContact O-N 2.65Å; Q178-I202 HydrophobicContact CB-CG2 4.15Å; Q178-I202 VanDerWaalsContact CD-CG2 3.47Å; Q178-I202 HydrophobicContact CG-CG2 4.15Å; Q178-I202 PolarHBondContact NE2-O 2.82Å; Q178-I202 VanDerWaalsContact OE1-CG2 3.24Å
179K88.9Confident86.6Confident193 Ų19346.2 Ų46.284%0.83923%0.233SC*.Hα-helixtrans-64.9-29.9176.2-171.8175.1-178.9178.80112.8F175 A176 A177 N181F175-K179 PolarHBondContact O-N 3.32Å; A176-K179 PolarHBondContact O-N 3.15Å; A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.01Å; K179-N181 VanDerWaalsContact C-N 3.27Å
180Q83.4Confident86Confident83 Ų8343.9 Ų43.939%0.38822%0.221SC..THydrogen-bonded Turntrans-84.71173.1-67.9-167-34.700113.3A176 A177 Q178 I182A176-Q180 PolarHBondContact O-N 3.13Å; A176-Q180 VanDerWaalsContact O-N 3.12Å; A177-Q180 CarbonylContact O-C 3.58Å; A177-Q180 WeakPolarHBondContact O-CA 3.19Å; A177-Q180 PolarHBondContact O-N 2.98Å; A177-Q180 VanDerWaalsContact O-N 3.1Å; Q178-Q180 PolarHBondContact O-N 3.06Å; Q180-I182 VanDerWaalsContact C-N 3.27Å; Q180-I182 HydrophobicContact CB-CD1 3.67Å; Q180-I182 HydrophobicContact CB-CG1 3.95Å; Q180-I182 PolarHBondContact O-N 3.13Å
181N84.1Confident85.6Confident144 Ų14445.6 Ų45.677%0.7723%0.234SC*.THydrogen-bonded Turntrans55.439.4-178.1-162.648.3000113.3A177 Q178 K179A177-N181 PolarHBondContact O-N 2.8Å; Q178-N181 PolarHBondContact O-N 2.65Å; K179-N181 VanDerWaalsContact C-N 3.27Å
182I85.8Confident84.9Confident7 Ų748.7 Ų48.74%0.03625%0.251CS..  trans-97.3127.7178.7-61.5165.9000108.9L134 I137 I154 A177 Q180L134-I182 HydrophobicContact CD2-CD1 3.61Å; I137-I182 HydrophobicContact CB-CD1 4.49Å; I137-I182 HydrophobicContact CD1-CD1 3.97Å; I137-I182 HydrophobicContact CD1-CG2 4.41Å; I137-I182 HydrophobicContact CG2-CD1 3.87Å; I154-I182 HydrophobicContact CD1-CG2 3.87Å; I154-I182 HydrophobicContact CG1-CG2 3.83Å; A177-I182 PolarHBondContact O-N 3.21Å; A177-I182 VanDerWaalsContact O-N 3.07Å; Q180-I182 VanDerWaalsContact C-N 3.27Å; Q180-I182 HydrophobicContact CB-CD1 3.67Å; Q180-I182 HydrophobicContact CB-CG1 3.95Å; Q180-I182 PolarHBondContact O-N 3.13Å
183L85.5Confident84.3Confident37 Ų3743.5 Ų43.519%0.19422%0.223CC..EExtended strand (participates in β ladder)trans-77.1130.3176.4-62.9169.9000110.3R153 I154 T203R153-L183 HydrophobicContact CG-CB 4.43Å; I154-L183 PolarHBondContact N-O 3.47Å; L183-T203 WeakPolarHBondContact CD2-O 3.43Å
184I87.9Confident83.7Confident3 Ų344.5 Ų44.52%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-111.2108.7173.8-56.7-179.6000109.3I154 V156 A177 C200 T203 G205I154-I184 HydrophobicContact CB-CG1 4.3Å; I154-I184 HydrophobicContact CD1-CG1 4.45Å; I154-I184 CarbonylContact O-C 3.55Å; I154-I184 WeakPolarHBondContact O-CA 3.01Å; V156-I184 HydrophobicContact CG2-CG2 4.07Å; A177-I184 HydrophobicContact CB-CD1 3.82Å; A177-I184 HydrophobicContact CB-CG1 4.46Å; I184-C200 PolarHBondContact O-SG 3.19Å; I184-T203 HydrophobicContact CB-CG2 4.24Å; I184-T203 HydrophobicContact CD1-CG2 3.95Å; I184-T203 HydrophobicContact CG1-CG2 3.95Å; I184-T203 PolarHBondContact N-OG1 3.29Å; I184-G205 WeakPolarHBondContact O-CA 3.49Å
185D86.2Confident83.3Confident1 Ų146.2 Ų46.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-91.3139.2171.1-80.2-25.6000109.5R153 I154 L155 V156 L206 F226 R233R153-D185 WeakPolarHBondContact CD-OD2 3.27Å; R153-D185 IonicContact NE-OD2 3.66Å; I154-D185 PolarHBondContact O-N 3.49Å; L155-D185 CarbonylContact C-O 3.6Å; L155-D185 WeakPolarHBondContact CA-O 2.91Å; L155-D185 HydrophobicContact CD1-CB 3.73Å; V156-D185 PolarHBondContact N-O 2.89Å; D185-L206 PolarHBondContact OD1-N 2.81Å; D185-F226 HydrophobicContact CB-CD1 3.97Å; D185-F226 HydrophobicContact CB-CE1 3.75Å; D185-R233 IonicContact OD1-CZ 3.58Å; D185-R233 IonicContact OD1-NH1 3.27Å; D185-R233 PolarHBondContact OD1-NH1 3.15Å; D185-R233 IonicContact OD1-NH2 3.62Å; D185-R233 PolarHBondContact OD1-NH2 2.99Å; D185-R233 IonicContact OD2-CZ 2.85Å; D185-R233 IonicContact OD2-NH1 3.5Å; D185-R233 PolarHBondContact OD2-NH1 3.4Å; D185-R233 IonicContact OD2-NH2 3.66Å; D185-R233 PolarHBondContact OD2-NH2 3.17Å
186A85.3Confident82.9Confident0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-127.8135.5-177.300000111.7V156 L196 C200 L206 Y207 L208V156-A186 CarbonylContact O-C 3.6Å; V156-A186 WeakPolarHBondContact O-CA 3.41Å; A186-L196 HydrophobicContact CB-CD1 3.91Å; A186-L196 HydrophobicContact CB-CD2 3.49Å; A186-L196 VanDerWaalsContact CB-CD2 3.49Å; A186-L196 HydrophobicContact CB-CG 3.42Å; A186-L196 VanDerWaalsContact CB-CG 3.42Å; A186-C200 WeakPolarHBondContact CB-SG 3.24Å; A186-L206 PolarHBondContact N-O 3.14Å; A186-Y207 HydrophobicContact CB-CD2 4.05Å; A186-L208 PolarHBondContact O-N 3.24Å
187C83.4Confident82.5Confident2 Ų240.6 Ų40.61%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-128.7119.5178.2-171.80000109V156 I157 K158 L208 I210V156-C187 PolarHBondContact O-N 3.24Å; I157-C187 CarbonylContact C-O 3.59Å; I157-C187 WeakPolarHBondContact CA-O 3.27Å; I157-C187 HydrophobicContact CG1-CB 4.38Å; K158-C187 PolarHBondContact N-O 3.25Å; C187-L208 WeakPolarHBondContact CA-O 3.24Å; C187-I210 WeakPolarHBondContact SG-CD1 3.48Å
188V84Confident82.2Confident2 Ų241.3 Ų41.31%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-114.1131.5-174.6-176.80000110.6K158 S191 L196 Y207 L208 I210K158-V188 HydrophobicContact CB-CG2 4.37Å; V188-S191 WeakPolarHBondContact CG1-O 3.5Å; V188-L196 HydrophobicContact CG2-CD2 3.71Å; V188-Y207 HydrophobicContact CB-CE2 4.48Å; V188-Y207 HydrophobicContact CG2-CD2 4.36Å; V188-Y207 HydrophobicContact CG2-CE2 3.43Å; V188-Y207 VanDerWaalsContact CG2-CE2 3.43Å; V188-L208 PolarHBondContact N-O 2.92Å; V188-I210 PolarHBondContact O-N 2.92Å
189L76.7Confident82Confident3 Ų337 Ų372%0.01620%0.197CC..SBendtrans-86.8-32.3-175.1-62.5-179.5000115W21 W22 F32 K158 A159 I210 K213 L216W21-L189 HydrophobicContact CH2-CB 4.01Å; W21-L189 HydrophobicContact CH2-CD1 3.77Å; W21-L189 HydrophobicContact CZ2-CB 4.33Å; W21-L189 HydrophobicContact CZ3-CD1 3.94Å; W22-L189 HydrophobicContact CH2-CD1 3.98Å; W22-L189 HydrophobicContact CZ2-CD1 4.07Å; F32-L189 HydrophobicContact CE1-CD1 4.26Å; F32-L189 HydrophobicContact CZ-CD2 4.45Å; K158-L189 PolarHBondContact O-N 3.25Å; A159-L189 HydrophobicContact CB-CD1 3.75Å; L189-I210 HydrophobicContact CD2-CD1 3.6Å; L189-K213 WeakPolarHBondContact O-CE 3.09Å; L189-L216 HydrophobicContact CD2-CD1 3.25Å
190D73.1Confident81.7Confident53 Ų5328 Ų2828%0.28316%0.158SC..SBendtrans-136.7-75-168.3-144.532.8000111.6W21 K209 K213W21-D190 HydrophobicContact CZ2-CB 3.88Å; D190-K209 WeakPolarHBondContact O-CE 3.35Å; D190-K213 WeakPolarHBondContact OD1-CE 3.35Å; D190-K213 IonicContact OD1-NZ 3.67Å; D190-K213 PolarHBondContact OD1-NZ 3.32Å
191S75.3Confident81.8Confident44 Ų4428 Ų2831%0.30816%0.161SC..SBendtrans-97.4128.8-173.3-58.70000112.3D161 V188 S193D161-S191 WeakPolarHBondContact OD1-CB 2.93Å; D161-S191 PolarHBondContact OD1-OG 3.43Å; V188-S191 WeakPolarHBondContact CG1-O 3.5Å; S191-S193 PolarHBondContact O-N 3.33Å
192D74.6Confident81.9Confident78 Ų7822.5 Ų22.542%0.41713%0.132SC..  trans-62.8135.8175.3-75-52.3000112.2Y207 K209D192-Y207 VanDerWaalsContact CA-OH 3.28Å; D192-Y207 WeakPolarHBondContact CA-OH 2.96Å; D192-Y207 PolarHBondContact OD1-OH 2.74Å; D192-K209 VanDerWaalsContact OD1-CD 3.3Å; D192-K209 WeakPolarHBondContact OD1-CD 3.28Å; D192-K209 IonicContact OD1-NZ 3.55Å; D192-K209 WeakPolarHBondContact OD2-CD 3.39Å; D192-K209 WeakPolarHBondContact OD2-CE 3.4Å; D192-K209 IonicContact OD2-NZ 2.77Å; D192-K209 PolarHBondContact OD2-NZ 3.35Å
193S75.5Confident81.8Confident1 Ų122.9 Ų22.91%0.00713%0.134CC..  trans-108111.7178.7176.10000110.6D162 S191 L195 L196 Q197 Y207D162-S193 WeakPolarHBondContact OD2-CB 3.39Å; D162-S193 PolarHBondContact OD2-OG 3.04Å; S191-S193 PolarHBondContact O-N 3.33Å; S193-L195 VanDerWaalsContact C-N 3.25Å; S193-L195 PolarHBondContact O-N 2.62Å; S193-L195 PolarHBondContact OG-N 3.26Å; S193-L196 PolarHBondContact O-N 3.45Å; S193-L196 VanDerWaalsContact OG-CB 3.32Å; S193-L196 WeakPolarHBondContact OG-CB 3.3Å; S193-L196 PolarHBondContact OG-N 2.87Å; S193-Q197 VanDerWaalsContact O-CG 3.27Å; S193-Q197 WeakPolarHBondContact O-CG 3.38Å; S193-Q197 PolarHBondContact O-N 3.49Å; S193-Y207 PolarHBondContact N-OH 2.79Å
194G78.4Confident81.4Confident41 Ų4124 Ų2442%0.42316%0.155SC..Hα-helixtrans-62.2-33.9171.500000112.6Q198G194-Q198 WeakPolarHBondContact O-CG 3.45Å; G194-Q198 PolarHBondContact O-N 3.43Å
195L80.8Confident80.9Confident36 Ų3624.9 Ų24.919%0.18816%0.164CC..Hα-helixtrans-66.3-43.8178.2-78.976.8000111.5Y167 F170 S193 Q198 A199Y167-L195 HydrophobicContact CD2-CD1 4.43Å; Y167-L195 HydrophobicContact CD2-CD2 3.63Å; Y167-L195 HydrophobicContact CD2-CG 3.79Å; Y167-L195 HydrophobicContact CE2-CG 4.35Å; Y167-L195 HydrophobicContact CG-CD2 4.35Å; F170-L195 HydrophobicContact CD1-CB 4.25Å; F170-L195 HydrophobicContact CD1-CD2 4.23Å; F170-L195 HydrophobicContact CE1-CB 4.06Å; S193-L195 VanDerWaalsContact C-N 3.25Å; S193-L195 PolarHBondContact O-N 2.62Å; S193-L195 PolarHBondContact OG-N 3.26Å; L195-Q198 WeakPolarHBondContact O-CB 3.39Å; L195-Q198 PolarHBondContact O-N 3.06Å; L195-A199 PolarHBondContact O-N 3.24Å
196L82.1Confident80.5Confident0 Ų025.6 Ų25.60%017%0.168CC..Hα-helixtrans-73.2-32.7-177.9-163.262.3000111.2K158 F170 A186 V188 S193 A199 C200 Y207K158-L196 HydrophobicContact CB-CD2 4.18Å; K158-L196 HydrophobicContact CD-CD2 3.91Å; F170-L196 HydrophobicContact CZ-CD1 3.75Å; A186-L196 HydrophobicContact CB-CD1 3.91Å; A186-L196 HydrophobicContact CB-CD2 3.49Å; A186-L196 VanDerWaalsContact CB-CD2 3.49Å; A186-L196 HydrophobicContact CB-CG 3.42Å; A186-L196 VanDerWaalsContact CB-CG 3.42Å; V188-L196 HydrophobicContact CG2-CD2 3.71Å; S193-L196 PolarHBondContact O-N 3.45Å; S193-L196 VanDerWaalsContact OG-CB 3.32Å; S193-L196 WeakPolarHBondContact OG-CB 3.3Å; S193-L196 PolarHBondContact OG-N 2.87Å; L196-A199 HydrophobicContact CD1-CB 4.4Å; L196-A199 VanDerWaalsContact O-CB 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.33Å; L196-A199 PolarHBondContact O-N 3.33Å; L196-C200 PolarHBondContact O-N 2.77Å; L196-C200 PolarHBondContact O-SG 3Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; L196-Y207 HydrophobicContact CB-CD2 4.43Å; L196-Y207 HydrophobicContact CB-CE2 4.19Å; L196-Y207 HydrophobicContact CD2-CE2 4.26Å; L196-Y207 HydrophobicContact CG-CD2 4.34Å; L196-Y207 HydrophobicContact CG-CE2 4.36Å
197Q82.8Confident80.4Confident34 Ų3427.5 Ų27.516%0.15918%0.176CC..Hα-helixtrans-60.3-46.3168.9-72.817215.800111.5S193 A199 C200 D201 Y207 V244S193-Q197 VanDerWaalsContact O-CG 3.27Å; S193-Q197 WeakPolarHBondContact O-CG 3.38Å; S193-Q197 PolarHBondContact O-N 3.49Å; Q197-A199 VanDerWaalsContact C-N 3.27Å; Q197-A199 PolarHBondContact O-N 3.18Å; Q197-C200 PolarHBondContact O-N 2.95Å; Q197-D201 PolarHBondContact O-N 3.41Å; Q197-Y207 HydrophobicContact CG-CD1 3.81Å; Q197-Y207 HydrophobicContact CG-CD2 3.73Å; Q197-Y207 HydrophobicContact CG-CE1 3.82Å; Q197-Y207 HydrophobicContact CG-CE2 3.72Å; Q197-Y207 HydrophobicContact CG-CG 3.77Å; Q197-V244 HydrophobicContact CB-CG1 4.12Å; Q197-V244 HydrophobicContact CB-CG2 3.97Å
198Q82.9Confident80.1Confident14 Ų1428.2 Ų28.27%0.06518%0.179CC..Hα-helixtrans-58.8-39.8172.7-70.4172.2-16.300111.7M171 G194 L195 D201 I202 V244 D245 Y246M171-Q198 HydrophobicContact CE-CB 3.87Å; M171-Q198 HydrophobicContact CE-CG 4.48Å; G194-Q198 WeakPolarHBondContact O-CG 3.45Å; G194-Q198 PolarHBondContact O-N 3.43Å; L195-Q198 WeakPolarHBondContact O-CB 3.39Å; L195-Q198 PolarHBondContact O-N 3.06Å; Q198-D201 PolarHBondContact O-N 3.11Å; Q198-I202 WeakPolarHBondContact O-CB 3.36Å; Q198-I202 WeakPolarHBondContact O-CD1 3.44Å; Q198-I202 WeakPolarHBondContact O-CG1 3.37Å; Q198-I202 PolarHBondContact O-N 3.44Å; Q198-V244 HydrophobicContact CB-CG1 4.08Å; Q198-V244 HydrophobicContact CG-CG1 3.23Å; Q198-D245 PolarHBondContact NE2-O 3.34Å; Q198-Y246 HydrophobicContact CG-CD1 4.34Å; Q198-Y246 HydrophobicContact CG-CE1 4.34Å
199A84.8Confident79.9Confident0 Ų032.5 Ų32.50%020%0.198CC..Hα-helixtrans-61.5-46.1177.900000112.8F170 I174 L195 L196 Q197 T203F170-A199 HydrophobicContact CE1-CB 4.06Å; F170-A199 HydrophobicContact CZ-CB 4.18Å; I174-A199 HydrophobicContact CD1-CB 3.27Å; I174-A199 HydrophobicContact CG1-CB 3.87Å; I174-A199 HydrophobicContact CG2-CB 4.37Å; L195-A199 PolarHBondContact O-N 3.24Å; L196-A199 HydrophobicContact CD1-CB 4.4Å; L196-A199 VanDerWaalsContact O-CB 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.33Å; L196-A199 PolarHBondContact O-N 3.33Å; Q197-A199 VanDerWaalsContact C-N 3.27Å; Q197-A199 PolarHBondContact O-N 3.18Å; A199-T203 WeakPolarHBondContact O-CG2 3.31Å; A199-T203 PolarHBondContact O-N 3.05Å; A199-T203 VanDerWaalsContact O-N 3.1Å; A199-T203 PolarHBondContact O-OG1 2.93Å
200C83.3Confident79.7Confident4 Ų432.7 Ų32.73%0.02720%0.199CC..Hα-helixtrans-64.8-41.5178.3-69.10000111.3I184 A186 L196 Q197 T203 G204 G205I184-C200 PolarHBondContact O-SG 3.19Å; A186-C200 WeakPolarHBondContact CB-SG 3.24Å; L196-C200 PolarHBondContact O-N 2.77Å; L196-C200 PolarHBondContact O-SG 3Å; L196-C200 VanDerWaalsContact O-SG 3.38Å; Q197-C200 PolarHBondContact O-N 2.95Å; C200-T203 PolarHBondContact O-N 3.5Å; C200-T203 PolarHBondContact O-OG1 3.1Å; C200-G204 CarbonylContact O-C 3.56Å; C200-G204 WeakPolarHBondContact O-CA 3.33Å; C200-G204 PolarHBondContact O-N 2.94Å; C200-G205 PolarHBondContact O-N 3.31Å
201D84.5Confident79.2Confident83 Ų8334.9 Ų34.944%0.44422%0.216SC..Hα-helixtrans-66.4-43.6178.8-16012.2000112.1Q197 Q198 T203 G204 V244 Y246Q197-D201 PolarHBondContact O-N 3.41Å; Q198-D201 PolarHBondContact O-N 3.11Å; D201-T203 VanDerWaalsContact C-N 3.28Å; D201-T203 PolarHBondContact O-N 3.39Å; D201-G204 PolarHBondContact O-N 2.8Å; D201-V244 HydrophobicContact CB-CG2 4.23Å; D201-Y246 PolarHBondContact OD2-OH 2.96Å
202I86.5Confident78.4Confident29 Ų2938.4 Ų38.415%0.14923%0.228CC..Hα-helixtrans-61.7-37.5177.6-69.1166.1000111.8M171 I174 F175 Q178 Q198M171-I202 HydrophobicContact SD-CD1 4.33Å; I174-I202 HydrophobicContact CG2-CB 4.04Å; I174-I202 HydrophobicContact CG2-CD1 4.29Å; I174-I202 HydrophobicContact CG2-CG2 3.81Å; F175-I202 HydrophobicContact CD1-CG2 4.36Å; F175-I202 HydrophobicContact CE1-CD1 4.22Å; F175-I202 HydrophobicContact CE1-CG2 4.32Å; F175-I202 HydrophobicContact CZ-CD1 4.25Å; Q178-I202 HydrophobicContact CB-CG2 4.15Å; Q178-I202 VanDerWaalsContact CD-CG2 3.47Å; Q178-I202 HydrophobicContact CG-CG2 4.15Å; Q178-I202 PolarHBondContact NE2-O 2.82Å; Q178-I202 VanDerWaalsContact OE1-CG2 3.24Å; Q198-I202 WeakPolarHBondContact O-CB 3.36Å; Q198-I202 WeakPolarHBondContact O-CD1 3.44Å; Q198-I202 WeakPolarHBondContact O-CG1 3.37Å; Q198-I202 PolarHBondContact O-N 3.44Å
203T83.9Confident78Confident16 Ų1636 Ų3610%0.09821%0.213CC..Hα-helixtrans-89.4-11.9-17956.60000113.4I174 L183 I184 A199 C200 D201 G205I174-T203 HydrophobicContact CG2-CG2 4.06Å; L183-T203 WeakPolarHBondContact CD2-O 3.43Å; I184-T203 HydrophobicContact CB-CG2 4.24Å; I184-T203 HydrophobicContact CD1-CG2 3.95Å; I184-T203 HydrophobicContact CG1-CG2 3.95Å; I184-T203 PolarHBondContact N-OG1 3.29Å; A199-T203 WeakPolarHBondContact O-CG2 3.31Å; A199-T203 PolarHBondContact O-N 3.05Å; A199-T203 VanDerWaalsContact O-N 3.1Å; A199-T203 PolarHBondContact O-OG1 2.93Å; C200-T203 PolarHBondContact O-N 3.5Å; C200-T203 PolarHBondContact O-OG1 3.1Å; D201-T203 VanDerWaalsContact C-N 3.28Å; D201-T203 PolarHBondContact O-N 3.39Å; T203-G205 VanDerWaalsContact C-N 3.27Å
204G77.1Confident77.1Confident61 Ų6140 Ų4063%0.62924%0.238SC*.THydrogen-bonded Turntrans70.920.8-171.300000113.8C200 D201C200-G204 CarbonylContact O-C 3.56Å; C200-G204 WeakPolarHBondContact O-CA 3.33Å; C200-G204 PolarHBondContact O-N 2.94Å; D201-G204 PolarHBondContact O-N 2.8Å
205G77.9Confident76.1Confident20 Ų2038.9 Ų38.921%0.20622%0.224CC..  trans-87.1-179.5175.600000113.1I184 C200 T203I184-G205 WeakPolarHBondContact O-CA 3.49Å; C200-G205 PolarHBondContact O-N 3.31Å; T203-G205 VanDerWaalsContact C-N 3.27Å
206L78.8Confident75.1Confident17 Ų1737.4 Ų37.49%0.08922%0.216CC..  trans-105.4136.4-178.8-175.9135.6000112D185 A186 L208 V225 F226 L238D185-L206 PolarHBondContact OD1-N 2.81Å; A186-L206 PolarHBondContact N-O 3.14Å; L206-L208 HydrophobicContact CD2-CB 3.82Å; L206-V225 HydrophobicContact CD1-CG1 3.63Å; L206-V225 HydrophobicContact CD2-CG1 4.05Å; L206-V225 HydrophobicContact CG-CG1 4.39Å; L206-F226 HydrophobicContact CD2-CE1 4.02Å; L206-F226 HydrophobicContact CD2-CZ 3.76Å; L206-L238 HydrophobicContact CD1-CD2 3.41Å; L206-L238 VanDerWaalsContact CD1-CD2 3.41Å
207Y82.3Confident73.6Confident39 Ų3939.3 Ų39.315%0.15323%0.233CC..EExtended strand (participates in β ladder)trans-103.3123.4168.8179.5-91.1000110A186 V188 D192 S193 L196 Q197 K209A186-Y207 HydrophobicContact CB-CD2 4.05Å; V188-Y207 HydrophobicContact CB-CE2 4.48Å; V188-Y207 HydrophobicContact CG2-CD2 4.36Å; V188-Y207 HydrophobicContact CG2-CE2 3.43Å; V188-Y207 VanDerWaalsContact CG2-CE2 3.43Å; D192-Y207 VanDerWaalsContact CA-OH 3.28Å; D192-Y207 WeakPolarHBondContact CA-OH 2.96Å; D192-Y207 PolarHBondContact OD1-OH 2.74Å; S193-Y207 PolarHBondContact N-OH 2.79Å; L196-Y207 HydrophobicContact CB-CD2 4.43Å; L196-Y207 HydrophobicContact CB-CE2 4.19Å; L196-Y207 HydrophobicContact CD2-CE2 4.26Å; L196-Y207 HydrophobicContact CG-CD2 4.34Å; L196-Y207 HydrophobicContact CG-CE2 4.36Å; Q197-Y207 HydrophobicContact CG-CD1 3.81Å; Q197-Y207 HydrophobicContact CG-CD2 3.73Å; Q197-Y207 HydrophobicContact CG-CE1 3.82Å; Q197-Y207 HydrophobicContact CG-CE2 3.72Å; Q197-Y207 HydrophobicContact CG-CG 3.77Å; Y207-K209 HydrophobicContact CE1-CB 4.44Å
208L77.8Confident72.1Confident18 Ų1843 Ų439%0.09425%0.25CC..EExtended strand (participates in β ladder)trans-121.7126.9175-173.974.5000110.7A186 C187 V188 L206 I210 F226A186-L208 PolarHBondContact O-N 3.24Å; C187-L208 WeakPolarHBondContact CA-O 3.24Å; V188-L208 PolarHBondContact N-O 2.92Å; L206-L208 HydrophobicContact CD2-CB 3.82Å; L208-I210 HydrophobicContact CD2-CG1 4.37Å; L208-F226 HydrophobicContact CB-CZ 4.26Å; L208-F226 HydrophobicContact CD2-CE2 4.06Å; L208-F226 HydrophobicContact CD2-CZ 4.34Å
209K78.3Confident70.8Confident92 Ų9245.8 Ų45.840%0.426%0.26SS..EExtended strand (participates in β ladder)trans-94.3128.6163.1-170.5-171.9-164.1165.40109.3D190 D192 Y207 P211D190-K209 WeakPolarHBondContact O-CE 3.35Å; D192-K209 VanDerWaalsContact OD1-CD 3.3Å; D192-K209 WeakPolarHBondContact OD1-CD 3.28Å; D192-K209 IonicContact OD1-NZ 3.55Å; D192-K209 WeakPolarHBondContact OD2-CD 3.39Å; D192-K209 WeakPolarHBondContact OD2-CE 3.4Å; D192-K209 IonicContact OD2-NZ 2.77Å; D192-K209 PolarHBondContact OD2-NZ 3.35Å; Y207-K209 HydrophobicContact CE1-CB 4.44Å; K209-P211 VanDerWaalsContact O-CD 3.31Å; K209-P211 WeakPolarHBondContact O-CD 3.26Å
210I73.1Confident69.4Low6 Ų645.9 Ų45.93%0.03126%0.261CS..  trans-85.4117.1176.5-66.1156.4000109.5C187 V188 L189 L208 Q212 L216 Y219C187-I210 WeakPolarHBondContact SG-CD1 3.48Å; V188-I210 PolarHBondContact O-N 2.92Å; L189-I210 HydrophobicContact CD2-CD1 3.6Å; L208-I210 HydrophobicContact CD2-CG1 4.37Å; I210-Q212 VanDerWaalsContact CG2-O 3.31Å; I210-Q212 WeakPolarHBondContact CG2-O 3.16Å; I210-L216 HydrophobicContact CD1-CD1 3.39Å; I210-L216 HydrophobicContact CD1-CG 4.37Å; I210-Y219 HydrophobicContact CG2-CD2 4.1Å; I210-Y219 HydrophobicContact CG2-CE2 4.5Å
211P62.7Low67.8Low100 Ų10049 Ų4965%0.64928%0.277SS*.SBendtrans-77.3-2517930.3-34.3000112.9K209 Y219K209-P211 VanDerWaalsContact O-CD 3.31Å; K209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-Y219 HydrophobicContact CG-CE2 4.3Å
212Q59.4Low65.5Low118 Ų11851.6 Ų51.655%0.55129%0.286SS*.  trans-138.6113-179.2-163174.11.300111.7I210 V214 A215I210-Q212 VanDerWaalsContact CG2-O 3.31Å; I210-Q212 WeakPolarHBondContact CG2-O 3.16Å; Q212-V214 VanDerWaalsContact C-N 3.29Å; Q212-V214 PolarHBondContact O-N 3.47Å; Q212-A215 PolarHBondContact O-N 3.24Å
213K64.9Low63.2Low26 Ų2652.3 Ų52.311%0.11329%0.289CS..G310 helixtrans-65-28.4-175.1-60.5171.4-176.6168.10113.1E29 F32 L189 D190 A215 L216E29-K213 WeakPolarHBondContact OE2-CD 3.18Å; F32-K213 HydrophobicContact CB-CB 4.26Å; F32-K213 HydrophobicContact CD1-CB 3.98Å; F32-K213 HydrophobicContact CD1-CD 4.4Å; F32-K213 HydrophobicContact CD2-CB 4.14Å; F32-K213 WeakPolarHBondContact CD2-O 3.45Å; F32-K213 HydrophobicContact CE1-CB 4.35Å; F32-K213 VanDerWaalsContact CE2-O 3.27Å; F32-K213 WeakPolarHBondContact CE2-O 3.36Å; F32-K213 HydrophobicContact CG-CB 3.86Å; L189-K213 WeakPolarHBondContact O-CE 3.09Å; D190-K213 WeakPolarHBondContact OD1-CE 3.35Å; D190-K213 IonicContact OD1-NZ 3.67Å; D190-K213 PolarHBondContact OD1-NZ 3.32Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.96Å; K213-L216 WeakPolarHBondContact O-CB 3.4Å; K213-L216 PolarHBondContact O-N 3.41Å
214V57.3Low61.3Low86 Ų8661.1 Ų61.152%0.52132%0.32SS..G310 helixtrans-69.3-28.7178.9-177.20000112.5E31 Q212 L216E31-V214 HydrophobicContact CB-CG2 4.47Å; Q212-V214 VanDerWaalsContact C-N 3.29Å; Q212-V214 PolarHBondContact O-N 3.47Å; V214-L216 VanDerWaalsContact C-N 3.31Å
215A56.7Low60Low17 Ų1758.9 Ų58.914%0.1430%0.295CS..G310 helixtrans-93.219.1176.700000112.1Q212 K213 A217 Q218 Y219Q212-A215 PolarHBondContact O-N 3.24Å; K213-A215 VanDerWaalsContact C-N 3.31Å; K213-A215 PolarHBondContact O-N 2.96Å; A215-A217 PolarHBondContact O-N 2.96Å; A215-Q218 HydrophobicContact CB-CB 4.16Å; A215-Q218 CarbonylContact O-C 3.49Å; A215-Q218 WeakPolarHBondContact O-CA 3.24Å; A215-Q218 WeakPolarHBondContact O-CB 3.49Å; A215-Q218 PolarHBondContact O-N 3.34Å; A215-Y219 HydrophobicContact CB-CD2 3.82Å; A215-Y219 HydrophobicContact CB-CE2 3.66Å; A215-Y219 WeakPolarHBondContact O-CD2 3.38Å; A215-Y219 PolarHBondContact O-N 2.8Å
216L59.3Low58.7Low5 Ų558.4 Ų58.43%0.02629%0.287CS..Hα-helixtrans-53.3-44.2179.6-162.1101.5000112.1F32 C37 A40 L189 I210 K213 V214 Q218 Y219 L220F32-L216 HydrophobicContact CE2-CB 3.87Å; F32-L216 HydrophobicContact CE2-CD1 4.11Å; F32-L216 HydrophobicContact CE2-CD2 4.07Å; F32-L216 HydrophobicContact CE2-CG 4.26Å; F32-L216 HydrophobicContact CZ-CB 4.45Å; F32-L216 HydrophobicContact CZ-CD1 3.86Å; F32-L216 HydrophobicContact CZ-CD2 4.1Å; F32-L216 HydrophobicContact CZ-CG 4.38Å; C37-L216 HydrophobicContact CB-CD2 4.29Å; A40-L216 HydrophobicContact CB-CD2 4.02Å; L189-L216 HydrophobicContact CD2-CD1 3.25Å; I210-L216 HydrophobicContact CD1-CD1 3.39Å; I210-L216 HydrophobicContact CD1-CG 4.37Å; K213-L216 WeakPolarHBondContact O-CB 3.4Å; K213-L216 PolarHBondContact O-N 3.41Å; V214-L216 VanDerWaalsContact C-N 3.31Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.47Å; L216-Y219 PolarHBondContact O-N 3.38Å; L216-L220 HydrophobicContact CD2-CD1 3.47Å; L216-L220 VanDerWaalsContact CD2-CD1 3.47Å; L216-L220 HydrophobicContact CG-CD1 3.76Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 VanDerWaalsContact O-CB 3.22Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 2.97Å
217A52.3Low57.3Low41 Ų4159.7 Ų59.734%0.33929%0.294SS..Hα-helixtrans-64.6-37.6175.600000111.1A40 A215 L220 L221A40-A217 HydrophobicContact CB-CB 4.07Å; A215-A217 PolarHBondContact O-N 2.96Å; A217-L220 PolarHBondContact O-N 2.9Å; A217-L221 HydrophobicContact CB-CD1 4.14Å; A217-L221 WeakPolarHBondContact O-CA 3.14Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.31Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 2.96Å
218Q50.9Low55.8Low110 Ų11058.4 Ų58.451%0.51429%0.29SS..Hα-helixtrans-70.8-35.7175.5-156.9177.7-10.400111.8A215 L216 E222 Q223A215-Q218 HydrophobicContact CB-CB 4.16Å; A215-Q218 CarbonylContact O-C 3.49Å; A215-Q218 WeakPolarHBondContact O-CA 3.24Å; A215-Q218 WeakPolarHBondContact O-CB 3.49Å; A215-Q218 PolarHBondContact O-N 3.34Å; L216-Q218 VanDerWaalsContact C-N 3.32Å; L216-Q218 PolarHBondContact O-N 3.47Å; Q218-E222 HydrophobicContact CG-CB 3.87Å; Q218-E222 HydrophobicContact CG-CG 3.57Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.14Å; Q218-E222 PolarHBondContact NE2-OE2 3.28Å; Q218-E222 WeakPolarHBondContact O-CA 3.31Å; Q218-E222 WeakPolarHBondContact O-CB 3.27Å; Q218-E222 PolarHBondContact O-N 2.98Å; Q218-Q223 PolarHBondContact O-N 3Å
219Y55.9Low54.6Low73 Ų7359.4 Ų59.429%0.28630%0.296SS..Hα-helixtrans-75.1-27.8173.1-71.4-68.3000112.9I210 P211 A215 L216 Q223I210-Y219 HydrophobicContact CG2-CD2 4.1Å; I210-Y219 HydrophobicContact CG2-CE2 4.5Å; P211-Y219 HydrophobicContact CG-CE2 4.3Å; A215-Y219 HydrophobicContact CB-CD2 3.82Å; A215-Y219 HydrophobicContact CB-CE2 3.66Å; A215-Y219 WeakPolarHBondContact O-CD2 3.38Å; A215-Y219 PolarHBondContact O-N 2.8Å; L216-Y219 PolarHBondContact O-N 3.38Å; Y219-Q223 WeakPolarHBondContact O-CB 3.35Å
220L54.4Low53.4Low3 Ų358 Ų582%0.01630%0.298CS..Hα-helixtrans-83.1-29.8174-71.2169.6000112.5A40 L216 A217A40-L220 HydrophobicContact CB-CD1 3.92Å; L216-L220 HydrophobicContact CD2-CD1 3.47Å; L216-L220 VanDerWaalsContact CD2-CD1 3.47Å; L216-L220 HydrophobicContact CG-CD1 3.76Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 VanDerWaalsContact O-CB 3.22Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 2.97Å; A217-L220 PolarHBondContact O-N 2.9Å
221L48.8Very low52.2Low69 Ų6963.9 Ų63.936%0.36133%0.325SS..Hα-helixtrans-103.5-43.8-176.1-59.5168.4000113.8V43 A217V43-L221 HydrophobicContact CG1-CD1 4.08Å; V43-L221 HydrophobicContact CG1-CD2 3.75Å; A217-L221 HydrophobicContact CB-CD1 4.14Å; A217-L221 WeakPolarHBondContact O-CA 3.14Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.31Å; A217-L221 WeakPolarHBondContact O-CG 3.31Å; A217-L221 PolarHBondContact O-N 2.96Å
222E36.5Very low51.7Low137 Ų13763.9 Ų63.964%0.6432%0.316SS*.THydrogen-bonded Turntrans-86.2-20.5177.1-67.5-148.7146.700114Q218 W224Q218-E222 HydrophobicContact CG-CB 3.87Å; Q218-E222 HydrophobicContact CG-CG 3.57Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.14Å; Q218-E222 PolarHBondContact NE2-OE2 3.28Å; Q218-E222 WeakPolarHBondContact O-CA 3.31Å; Q218-E222 WeakPolarHBondContact O-CB 3.27Å; Q218-E222 PolarHBondContact O-N 2.98Å; E222-W224 PolarHBondContact O-N 3.23Å
223Q38.8Very low51.6Low44 Ų4459.5 Ų59.521%0.20629%0.294CS..  trans-7790.6163.1-126.6174.526.800107.4Q218 Y219 V225Q218-Q223 PolarHBondContact O-N 3Å; Y219-Q223 WeakPolarHBondContact O-CB 3.35Å; Q223-V225 HydrophobicContact CB-CB 4.42Å; Q223-V225 HydrophobicContact CB-CG2 4.46Å; Q223-V225 HydrophobicContact CG-CB 4.16Å; Q223-V225 HydrophobicContact CG-CG2 3.78Å; Q223-V225 PolarHBondContact O-N 2.9Å
224W44.4Very low50.9Low201 Ų20163.2 Ų63.276%0.76132%0.324SS*.THydrogen-bonded Turntrans-44.223156.7-89.70.6000115E222 P228 L236E222-W224 PolarHBondContact O-N 3.23Å; W224-P228 VanDerWaalsContact O-CD 3.25Å; W224-P228 WeakPolarHBondContact O-CD 3.41Å; W224-P228 WeakPolarHBondContact O-CG 3.38Å; W224-L236 HydrophobicContact CE3-CD2 4.47Å; W224-L236 WeakPolarHBondContact O-CD1 3.46Å
225V49.7Very low50.7Low15 Ų1567.1 Ų67.19%0.09134%0.336CS..THydrogen-bonded Turntrans-104.4-28-171.4171.30000111.9L206 Q223 R233 L238L206-V225 HydrophobicContact CD1-CG1 3.63Å; L206-V225 HydrophobicContact CD2-CG1 4.05Å; L206-V225 HydrophobicContact CG-CG1 4.39Å; Q223-V225 HydrophobicContact CB-CB 4.42Å; Q223-V225 HydrophobicContact CB-CG2 4.46Å; Q223-V225 HydrophobicContact CG-CB 4.16Å; Q223-V225 HydrophobicContact CG-CG2 3.78Å; Q223-V225 PolarHBondContact O-N 2.9Å; V225-R233 VanDerWaalsContact CG1-NH2 3.33Å; V225-R233 PolarHBondContact O-NH2 3.01Å; V225-L238 HydrophobicContact CG1-CD2 3.92Å
226F51Low50.7Low9 Ų968.8 Ų68.84%0.03934%0.342CS..SBendtrans-101.8-22-178.2-62.8-67.4000114.9R153 L155 D185 L206 L208R153-F226 PolarHBondContact NH1-O 2.86Å; L155-F226 HydrophobicContact CD1-CD1 3.83Å; L155-F226 HydrophobicContact CD1-CE1 3.81Å; L155-F226 HydrophobicContact CD1-CG 4.48Å; L155-F226 HydrophobicContact CD1-CZ 4.41Å; D185-F226 HydrophobicContact CB-CD1 3.97Å; D185-F226 HydrophobicContact CB-CE1 3.75Å; L206-F226 HydrophobicContact CD2-CE1 4.02Å; L206-F226 HydrophobicContact CD2-CZ 3.76Å; L208-F226 HydrophobicContact CB-CZ 4.26Å; L208-F226 HydrophobicContact CD2-CE2 4.06Å; L208-F226 HydrophobicContact CD2-CZ 4.34Å
227L49.5Very low50.2Low44 Ų4475.7 Ų75.723%0.2338%0.384CS..SBendtrans-76-33.6175.8-92.576.3000115.4M44 M51M44-L227 HydrophobicContact CG-CD1 4.2Å; M51-L227 HydrophobicContact CE-CB 4.3Å; M51-L227 WeakPolarHBondContact CE-O 2.95Å; M51-L227 HydrophobicContact SD-CB 3.87Å; M51-L227 HydrophobicContact SD-CD2 3.71Å; M51-L227 HydrophobicContact SD-CG 3.83Å
228P48.9Very low50.4Low13 Ų1376.7 Ų76.78%0.08438%0.384CS..SBendtrans-78.5146.7-175.1-5.920.1000113.1R153 W224 Q232 L236R153-P228 PolarHBondContact NH1-O 2.82Å; R153-P228 PolarHBondContact NH2-O 3.45Å; W224-P228 VanDerWaalsContact O-CD 3.25Å; W224-P228 WeakPolarHBondContact O-CD 3.41Å; W224-P228 WeakPolarHBondContact O-CG 3.38Å; P228-Q232 HydrophobicContact CB-CB 3.39Å; P228-Q232 HydrophobicContact CB-CG 4.31Å; P228-Q232 VanDerWaalsContact CB-OE1 3.31Å; P228-L236 HydrophobicContact CB-CD1 4.21Å; P228-L236 HydrophobicContact CG-CD1 3.66Å
229D52.8Low50.7Low39 Ų3974.3 Ų74.321%0.20938%0.378CS..  trans-62.5161.7174.6-163.213.3000111.7K151 E231 Q232 R233K151-D229 IonicContact NZ-OD2 2.7Å; K151-D229 PolarHBondContact NZ-OD2 3.25Å; D229-E231 PolarHBondContact O-N 2.81Å; D229-Q232 PolarHBondContact O-N 2.88Å; D229-R233 PolarHBondContact O-N 3.18Å
230S53.2Low50.5Low63 Ų6376.3 Ų76.344%0.44140%0.4SS..Hα-helixtrans-47-35.6-178.4-169.20000113
231E49.3Very low50.6Low128 Ų12882 Ų8260%0.59844%0.437SS*.Hα-helixtrans-73.2-37.2179.7-60-172.3167.700113.5D229 R233 S234D229-E231 PolarHBondContact O-N 2.81Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.43Å; E231-S234 PolarHBondContact O-N 3.34Å; E231-S234 PolarHBondContact O-OG 3.21Å
232Q51.9Low51.1Low100 Ų10081.2 Ų81.247%0.46744%0.441SS..Hα-helixtrans-73.1-22.9-178.6-69.6-176.2-47.400112.1P228 D229 S234 Q235 L236P228-Q232 HydrophobicContact CB-CB 3.39Å; P228-Q232 HydrophobicContact CB-CG 4.31Å; P228-Q232 VanDerWaalsContact CB-OE1 3.31Å; D229-Q232 PolarHBondContact O-N 2.88Å; Q232-S234 VanDerWaalsContact C-N 3.31Å; Q232-S234 PolarHBondContact O-N 3.23Å; Q232-Q235 PolarHBondContact O-N 3.13Å; Q232-L236 WeakPolarHBondContact O-CD1 3.39Å; Q232-L236 WeakPolarHBondContact O-CG 3.11Å
233R56.4Low52Low26 Ų2682.8 Ų82.810%0.09845%0.448CS..Hα-helixtrans-65.5-32.1175.4-122.3-167.8178.3116.4-3.2113.2D185 V225 D229 E231 Q235 L236 L238D185-R233 IonicContact OD1-CZ 3.58Å; D185-R233 IonicContact OD1-NH1 3.27Å; D185-R233 PolarHBondContact OD1-NH1 3.15Å; D185-R233 IonicContact OD1-NH2 3.62Å; D185-R233 PolarHBondContact OD1-NH2 2.99Å; D185-R233 IonicContact OD2-CZ 2.85Å; D185-R233 IonicContact OD2-NH1 3.5Å; D185-R233 PolarHBondContact OD2-NH1 3.4Å; D185-R233 IonicContact OD2-NH2 3.66Å; D185-R233 PolarHBondContact OD2-NH2 3.17Å; V225-R233 VanDerWaalsContact CG1-NH2 3.33Å; V225-R233 PolarHBondContact O-NH2 3.01Å; D229-R233 PolarHBondContact O-N 3.18Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 3.43Å; R233-Q235 PolarHBondContact O-N 3.36Å; R233-L236 PolarHBondContact O-N 3.03Å; R233-L238 HydrophobicContact CB-CD1 4.46Å; R233-L238 HydrophobicContact CG-CD1 3.95Å; R233-L238 HydrophobicContact CG-CD2 3.99Å; R233-L238 HydrophobicContact CG-CG 4.43Å
234S50.5Low53.2Low104 Ų10481.4 Ų81.473%0.72744%0.442SS*.THydrogen-bonded Turntrans-66.2-19.3178.170.90000113.6E231 Q232E231-S234 PolarHBondContact O-N 3.34Å; E231-S234 PolarHBondContact O-OG 3.21Å; Q232-S234 VanDerWaalsContact C-N 3.31Å; Q232-S234 PolarHBondContact O-N 3.23Å
235Q53Low54.2Low169 Ų16975.6 Ų75.679%0.7943%0.426SS*.THydrogen-bonded Turntrans-97.9-8.7179-57.9-17914.100112.6Q232 R233Q232-Q235 PolarHBondContact O-N 3.13Å; R233-Q235 PolarHBondContact O-N 3.36Å
236L57.4Low55.2Low51 Ų5181.5 Ų81.527%0.26745%0.448SS..SBendtrans-99.2135.4-178.1-73.6157.8000110W224 P228 Q232 R233 L238W224-L236 HydrophobicContact CE3-CD2 4.47Å; W224-L236 WeakPolarHBondContact O-CD1 3.46Å; P228-L236 HydrophobicContact CB-CD1 4.21Å; P228-L236 HydrophobicContact CG-CD1 3.66Å; Q232-L236 WeakPolarHBondContact O-CD1 3.39Å; Q232-L236 WeakPolarHBondContact O-CG 3.11Å; R233-L236 PolarHBondContact O-N 3.03Å; L236-L238 PolarHBondContact O-N 3.29Å
237V47.6Very low56.2Low150 Ų15085.6 Ų85.691%0.90946%0.463SS*.  trans-73.696.9172.6-178.60000108
238L57.9Low57.1Low62 Ų6285 Ų8533%0.32547%0.465SS..PPolyproline II helixtrans-76.6150.5177.6-70.6150.6000110.6L206 V225 R233 L236L206-L238 HydrophobicContact CD1-CD2 3.41Å; L206-L238 VanDerWaalsContact CD1-CD2 3.41Å; V225-L238 HydrophobicContact CG1-CD2 3.92Å; R233-L238 HydrophobicContact CB-CD1 4.46Å; R233-L238 HydrophobicContact CG-CD1 3.95Å; R233-L238 HydrophobicContact CG-CD2 3.99Å; R233-L238 HydrophobicContact CG-CG 4.43Å; L236-L238 PolarHBondContact O-N 3.29Å
239P55.9Low58.3Low60 Ų6086.1 Ų86.139%0.3947%0.474SS..PPolyproline II helixtrans-53.2141.3167.5-19.129.6000110
240P52.5Low59.6Low116 Ų11684.3 Ų84.375%0.75347%0.465SS*.PPolyproline II helixtrans-58.7140.3-179.222.8-31.3000110.3A242P240-A242 PolarHBondContact O-N 2.92Å
241P56.7Low60.6Low122 Ų12285.6 Ų85.679%0.79246%0.463SS*.PPolyproline II helixtrans-57.7126.2178.123.6-32.2000109.2H243P241-H243 PolarHBondContact O-N 3.25Å
242A58.5Low61.6Low53 Ų5382.3 Ų82.344%0.43845%0.453SS..PPolyproline II helixtrans-62.8133.1174.400000108.7P240 V244P240-A242 PolarHBondContact O-N 2.92Å; A242-V244 VanDerWaalsContact O-CG2 3.28Å; A242-V244 WeakPolarHBondContact O-CG2 3.28Å; A242-V244 PolarHBondContact O-N 3.47Å; A242-V244 VanDerWaalsContact O-N 3.12Å
243H56.7Low62.6Low170 Ų17083 Ų8379%0.78746%0.457SS*.  trans-64.7114.2178.6-172.1-77000109.4P241P241-H243 PolarHBondContact O-N 3.25Å
244V64.1Low63.3Low14 Ų1488 Ų889%0.08548%0.475CS..  trans-91.7130.6-175.6-169.60000110.6Q197 Q198 D201 A242 Y246Q197-V244 HydrophobicContact CB-CG1 4.12Å; Q197-V244 HydrophobicContact CB-CG2 3.97Å; Q198-V244 HydrophobicContact CB-CG1 4.08Å; Q198-V244 HydrophobicContact CG-CG1 3.23Å; D201-V244 HydrophobicContact CB-CG2 4.23Å; A242-V244 VanDerWaalsContact O-CG2 3.28Å; A242-V244 WeakPolarHBondContact O-CG2 3.28Å; A242-V244 PolarHBondContact O-N 3.47Å; A242-V244 VanDerWaalsContact O-N 3.12Å; V244-Y246 HydrophobicContact CB-CE2 4.38Å; V244-Y246 PolarHBondContact O-N 3.42Å
245D65.4Low64.3Low79 Ų7987.8 Ų87.842%0.42247%0.466SS..  trans-81.9109.4172.9-83.8-3.5000110.5Q198 R247Q198-D245 PolarHBondContact NE2-O 3.34Å; D245-R247 PolarHBondContact O-N 2.96Å; D245-R247 IonicContact OD2-CZ 2.85Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 IonicContact OD2-NH2 3.33Å; D245-R247 PolarHBondContact OD2-NH2 3.05Å
246Y69.3Low65.4Low140 Ų14084.4 Ų84.455%0.54945%0.453SS..  trans-83.819.5176.7-72.9-76.4000114.9Q198 D201 V244 A248Q198-Y246 HydrophobicContact CG-CD1 4.34Å; Q198-Y246 HydrophobicContact CG-CE1 4.34Å; D201-Y246 PolarHBondContact OD2-OH 2.96Å; V244-Y246 HydrophobicContact CB-CE2 4.38Å; V244-Y246 PolarHBondContact O-N 3.42Å; Y246-A248 PolarHBondContact O-N 3.48Å
247R72.9Confident66.5Low94 Ų9483.3 Ų83.336%0.35545%0.447SS..PPolyproline II helixtrans-65.9132.5-177.6-69.9-178.5-69.8171.9-2.2110.1D245 L256 E258D245-R247 PolarHBondContact O-N 2.96Å; D245-R247 IonicContact OD2-CZ 2.85Å; D245-R247 IonicContact OD2-NE 3.19Å; D245-R247 IonicContact OD2-NH2 3.33Å; D245-R247 PolarHBondContact OD2-NH2 3.05Å; R247-L256 HydrophobicContact CB-CB 4.13Å; R247-L256 HydrophobicContact CB-CD2 4.05Å; R247-L256 VanDerWaalsContact O-CD2 3.29Å; R247-L256 WeakPolarHBondContact O-CD2 3.5Å; R247-E258 HydrophobicContact CG-CG 4.42Å
248A68.9Low68Low33 Ų3384.2 Ų84.227%0.27344%0.441SS..EExtended strand (participates in β ladder)trans-74.8138.817800000110.3Y246 I257 I269Y246-A248 PolarHBondContact O-N 3.48Å; A248-I257 WeakPolarHBondContact O-CG1 3.2Å; A248-I257 PolarHBondContact O-N 3.28Å; A248-I269 HydrophobicContact CB-CD1 3.71Å
249A74.3Confident69.2Low35 Ų3588.2 Ų88.229%0.28946%0.461SS..EExtended strand (participates in β ladder)trans-84.1132.3170.400000110.2N255A249-N255 CarbonylContact C-O 3.58Å; A249-N255 WeakPolarHBondContact CA-O 3.42Å
250C78.5Confident70.6Confident1 Ų186.8 Ų86.81%0.00746%0.458CS..PPolyproline II helixtrans-77.8138.8178.790.10000111.5C252 R254 N255 I257 I269 C271C250-C252 PolarHBondContact O-N 3.39Å; C250-R254 WeakPolarHBondContact O-CA 3.2Å; C250-R254 PolarHBondContact O-N 2.79Å; C250-N255 PolarHBondContact N-O 3.17Å; C250-I257 HydrophobicContact CB-CD1 3.77Å; C250-I257 HydrophobicContact CB-CG1 4.23Å; C250-I257 HydrophobicContact CB-CG2 4.32Å; C250-I269 WeakPolarHBondContact CA-O 3.43Å; C250-C271 HydrophobicContact CB-CB 3.94Å; C250-C271 WeakPolarHBondContact CB-SG 3.35Å; C250-C271 WeakPolarHBondContact SG-CB 3.37Å; C250-C271 CovalentContact SG-SG 2.05Å; C250-C271 PolarHBondContact SG-SG 3.38Å
251F74.6Confident72.1Confident90 Ų9087 Ų8740%0.39545%0.445SS..THydrogen-bonded Turntrans-67.9-20.4-176-85.4-103000113.8M168 I269 F270M168-F251 HydrophobicContact CE-CD1 4.5Å; M168-F251 HydrophobicContact CE-CE1 3.44Å; M168-F251 VanDerWaalsContact CE-CE1 3.44Å; M168-F251 HydrophobicContact CE-CZ 3.94Å; M168-F251 HydrophobicContact CG-CZ 4.28Å; M168-F251 HydrophobicContact SD-CE1 3.63Å; M168-F251 HydrophobicContact SD-CZ 3.54Å; M168-F251 VanDerWaalsContact SD-CZ 3.54Å; F251-I269 PolarHBondContact N-O 3.19Å; F251-F270 HydrophobicContact CB-CE1 4.43Å
252C71.4Confident73.5Confident60 Ų6085.5 Ų85.541%0.40543%0.433SS..THydrogen-bonded Turntrans-72.5-49.8178-63.50000113.2C250 F270C250-C252 PolarHBondContact O-N 3.39Å; C252-F270 WeakPolarHBondContact SG-CD1 3.4Å
253H71.6Confident74.8Confident115 Ų11583 Ų8353%0.53241%0.412SS..THydrogen-bonded Turntrans-120.8-8.9-169.5-54128.5000113.4N255H253-N255 PolarHBondContact O-N 2.92Å; H253-N255 PolarHBondContact O-OD1 2.89Å
254R72Confident76Confident131 Ų13179.7 Ų79.749%0.49441%0.408SS..  trans62.119.1-174.8-54167.8-176.3-123-2.2114.4C250C250-R254 WeakPolarHBondContact O-CA 3.2Å; C250-R254 PolarHBondContact O-N 2.79Å
255N70.8Confident76.9Confident99 Ų9983.6 Ų83.653%0.52943%0.432SS..  trans-83.5144.1174.2-66.5-14.6000110.3A249 C250 H253 I257A249-N255 CarbonylContact C-O 3.58Å; A249-N255 WeakPolarHBondContact CA-O 3.42Å; C250-N255 PolarHBondContact N-O 3.17Å; H253-N255 PolarHBondContact O-N 2.92Å; H253-N255 PolarHBondContact O-OD1 2.89Å; N255-I257 PolarHBondContact O-N 3.26Å
256L76.9Confident77.8Confident98 Ų9882 Ų8251%0.51343%0.427SS..EExtended strand (participates in β ladder)trans-66.9127172.1-64.2159.4000109.1R247R247-L256 HydrophobicContact CB-CB 4.13Å; R247-L256 HydrophobicContact CB-CD2 4.05Å; R247-L256 VanDerWaalsContact O-CD2 3.29Å; R247-L256 WeakPolarHBondContact O-CD2 3.5Å
257I80.8Confident78.5Confident28 Ų2881.6 Ų81.614%0.14443%0.433CS..EExtended strand (participates in β ladder)trans-126.6148.7178.759.3168.6000111.1A248 C250 N255 G260 I269 C271A248-I257 WeakPolarHBondContact O-CG1 3.2Å; A248-I257 PolarHBondContact O-N 3.28Å; C250-I257 HydrophobicContact CB-CD1 3.77Å; C250-I257 HydrophobicContact CB-CG1 4.23Å; C250-I257 HydrophobicContact CB-CG2 4.32Å; N255-I257 PolarHBondContact O-N 3.26Å; I257-G260 VanDerWaalsContact CD1-CA 3.47Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; I257-C271 WeakPolarHBondContact CG2-SG 3.5Å
258E79.1Confident79Confident168 Ų16877.3 Ų77.379%0.78542%0.417SS*.SBendtrans-91.8-36.2173.8-67.8178.7-179.100112R247R247-E258 HydrophobicContact CG-CG 4.42Å
259I82.4Confident79.8Confident146 Ų14677.9 Ų77.975%0.74942%0.415SS*.SBendtrans-121.6121.7178.2-57174.7000107.7
260G85.2Confident80.2Confident31 Ų3176.4 Ų76.432%0.3240%0.402SS..  trans-136.9155.1179.500000112.5I257 F270I257-G260 VanDerWaalsContact CD1-CA 3.47Å; G260-F270 WeakPolarHBondContact CA-O 3.47Å
261Y85.1Confident80.5Confident121 Ų12177.5 Ų77.548%0.47541%0.41SS..EExtended strand (participates in β ladder)trans-92.1131.8173.6-62.6-86.8000109.6I269 F270 F273Y261-I269 WeakPolarHBondContact O-CA 3.49Å; Y261-F270 PolarHBondContact N-O 3.01Å; Y261-F270 PolarHBondContact O-N 3.25Å; Y261-F273 HydrophobicContact CD1-CB 4.42Å; Y261-F273 HydrophobicContact CD1-CD2 4.02Å; Y261-F273 HydrophobicContact CD2-CB 4.21Å; Y261-F273 HydrophobicContact CE1-CB 4.22Å; Y261-F273 HydrophobicContact CE1-CD2 4.21Å; Y261-F273 HydrophobicContact CE2-CB 4.02Å; Y261-F273 HydrophobicContact CG-CB 4.41Å; Y261-F273 HydrophobicContact CG-CD2 4.45Å
262V85.6Confident80.9Confident90 Ų9078.8 Ų78.855%0.54542%0.421SS..EExtended strand (participates in β ladder)trans-103.6132.7-179.7-175.60000110L267 S268 I269V262-L267 HydrophobicContact CG1-CD2 4.18Å; V262-S268 WeakPolarHBondContact CA-O 3.45Å; V262-I269 HydrophobicContact CG2-CG1 4.37Å
263C84.2Confident81.4Confident0 Ų081.2 Ų81.20%043%0.425CS..PPolyproline II helixtrans-70.8128.1169.7-179.10000110.5V265 C266 L267 S268 F270 C280 F284C263-V265 PolarHBondContact O-N 3.33Å; C263-V265 PolarHBondContact SG-N 2.96Å; C263-C266 VanDerWaalsContact CB-SG 3.58Å; C263-C266 PolarHBondContact SG-SG 2.75Å; C263-L267 VanDerWaalsContact O-CA 3.32Å; C263-L267 WeakPolarHBondContact O-CA 3.49Å; C263-L267 PolarHBondContact O-N 2.87Å; C263-S268 PolarHBondContact N-O 3.15Å; C263-F270 HydrophobicContact CB-CE2 4.26Å; C263-C280 VanDerWaalsContact SG-SG 3.61Å; C263-F284 HydrophobicContact CB-CE1 4.38Å; C263-F284 HydrophobicContact CB-CZ 3.91Å; C263-F284 VanDerWaalsContact SG-CZ 3.54Å
264S82.6Confident81.7Confident101 Ų10177.3 Ų77.371%0.70641%0.41SS*.THydrogen-bonded Turntrans-66.2-16.9178.254.80000114.7
265V84.4Confident81.9Confident95 Ų9574.7 Ų74.758%0.57641%0.41SS*.THydrogen-bonded Turntrans-98.7-51.1-176.4-175.90000111.5C263C263-V265 PolarHBondContact O-N 3.33Å; C263-V265 PolarHBondContact SG-N 2.96Å
266C83.6Confident82.5Confident47 Ų4774.7 Ų74.732%0.31841%0.409SS..THydrogen-bonded Turntrans-107.71.8-173.760.70000114.7C263 S268 C280C263-C266 VanDerWaalsContact CB-SG 3.58Å; C263-C266 PolarHBondContact SG-SG 2.75Å; C266-S268 PolarHBondContact O-N 3.25Å; C266-S268 PolarHBondContact SG-OG 2.83Å; C266-C280 HydrophobicContact CB-CB 4.16Å; C266-C280 PolarHBondContact SG-SG 3.5Å
267L84.7Confident82.8Confident131 Ų13170 Ų7069%0.68639%0.385SS*.  trans56.216.8-177.5-58.7174.6000114.5V262 C263V262-L267 HydrophobicContact CG1-CD2 4.18Å; C263-L267 VanDerWaalsContact O-CA 3.32Å; C263-L267 WeakPolarHBondContact O-CA 3.49Å; C263-L267 PolarHBondContact O-N 2.87Å
268S82Confident82.7Confident3 Ų373.3 Ų73.32%0.02141%0.406CS..  trans-69.7140.8175.162.40000110.9V262 C263 C266 F270V262-S268 WeakPolarHBondContact CA-O 3.45Å; C263-S268 PolarHBondContact N-O 3.15Å; C266-S268 PolarHBondContact O-N 3.25Å; C266-S268 PolarHBondContact SG-OG 2.83Å; S268-F270 VanDerWaalsContact OG-CE2 3.26Å; S268-F270 WeakPolarHBondContact OG-CE2 3.35Å; S268-F270 WeakPolarHBondContact OG-CZ 3.27Å
269I85.4Confident82.8Confident45 Ų4569.1 Ų69.123%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-102.4126.1-176-55.9173.6000109.4A248 C250 F251 I257 Y261 V262A248-I269 HydrophobicContact CB-CD1 3.71Å; C250-I269 WeakPolarHBondContact CA-O 3.43Å; F251-I269 PolarHBondContact N-O 3.19Å; I257-I269 HydrophobicContact CD1-CG2 3.79Å; Y261-I269 WeakPolarHBondContact O-CA 3.49Å; V262-I269 HydrophobicContact CG2-CG1 4.37Å
270F84.1Confident82.7Confident4 Ų464.2 Ų64.22%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-115.5141.8-178.8-62-58.4000112.7F251 C252 G260 Y261 C263 S268 C277 T278F251-F270 HydrophobicContact CB-CE1 4.43Å; C252-F270 WeakPolarHBondContact SG-CD1 3.4Å; G260-F270 WeakPolarHBondContact CA-O 3.47Å; Y261-F270 PolarHBondContact N-O 3.01Å; Y261-F270 PolarHBondContact O-N 3.25Å; C263-F270 HydrophobicContact CB-CE2 4.26Å; S268-F270 VanDerWaalsContact OG-CE2 3.26Å; S268-F270 WeakPolarHBondContact OG-CE2 3.35Å; S268-F270 WeakPolarHBondContact OG-CZ 3.27Å; F270-C277 HydrophobicContact CE2-CB 4.38Å; F270-C277 VanDerWaalsContact CE2-SG 3.58Å; F270-C277 WeakPolarHBondContact CZ-SG 3.25Å; F270-T278 VanDerWaalsContact CE1-OG1 3.3Å; F270-T278 WeakPolarHBondContact CE1-OG1 3.26Å
271C84.6Confident82.6Confident24 Ų2470.7 Ų70.716%0.16239%0.392CS..SBendtrans-67.2-38.8175.7-80.80000111.7C250 I257C250-C271 HydrophobicContact CB-CB 3.94Å; C250-C271 WeakPolarHBondContact CB-SG 3.35Å; C250-C271 WeakPolarHBondContact SG-CB 3.37Å; C250-C271 CovalentContact SG-SG 2.05Å; C250-C271 PolarHBondContact SG-SG 3.38Å; I257-C271 WeakPolarHBondContact CG2-SG 3.5Å
272N82.5Confident82.5Confident117 Ų11767.6 Ų67.663%0.62639%0.386SS*.SBendtrans-126.1154.5-178.2-71.7-31.2000110.3S274N272-S274 PolarHBondContact O-N 3.41Å
273F80.9Confident82.2Confident112 Ų11266.7 Ų66.749%0.49139%0.388SS..  trans-67.6122173.7-178.1-101000110.7Y261 I286Y261-F273 HydrophobicContact CD1-CB 4.42Å; Y261-F273 HydrophobicContact CD1-CD2 4.02Å; Y261-F273 HydrophobicContact CD2-CB 4.21Å; Y261-F273 HydrophobicContact CE1-CB 4.22Å; Y261-F273 HydrophobicContact CE1-CD2 4.21Å; Y261-F273 HydrophobicContact CE2-CB 4.02Å; Y261-F273 HydrophobicContact CG-CB 4.41Å; Y261-F273 HydrophobicContact CG-CD2 4.45Å; F273-I286 HydrophobicContact CE1-CD1 3.7Å; F273-I286 HydrophobicContact CZ-CD1 3.41Å; F273-I286 VanDerWaalsContact CZ-CD1 3.41Å; F273-I286 HydrophobicContact CZ-CG1 3.87Å
274S78.2Confident82Confident32 Ų3269.2 Ų69.222%0.22440%0.399CS..  trans-121.3135.6170.366.20000110.5N272 I276 F284N272-S274 PolarHBondContact O-N 3.41Å; S274-I276 WeakPolarHBondContact CB-O 3.45Å; S274-I276 PolarHBondContact O-N 3Å; S274-I276 PolarHBondContact OG-O 2.87Å; S274-F284 WeakPolarHBondContact O-CD2 3.49Å; S274-F284 WeakPolarHBondContact O-CE2 3.21Å
275P77.6Confident81.3Confident76 Ų7674.1 Ų74.149%0.49441%0.408SS..SBendtrans-71.6-15.4-179.927.9-34.1000113.2F284 I286P275-F284 WeakPolarHBondContact O-CD2 3.43Å; P275-F284 PolarHBondContact O-N 3.06Å; P275-I286 HydrophobicContact CB-CD1 4.31Å
276I82.3Confident80.7Confident99 Ų9973.6 Ų73.651%0.50840%0.401SS..BIsolated β-bridgetrans-122.9133.3174.8-56.5169.2000107.1S274 A283S274-I276 WeakPolarHBondContact CB-O 3.45Å; S274-I276 PolarHBondContact O-N 3Å; S274-I276 PolarHBondContact OG-O 2.87Å; I276-A283 HydrophobicContact CG1-CB 4.46Å
277C82.6Confident79.4Confident0 Ų080.1 Ų80.10%043%0.427CS..  trans-74.4125.8173.1-178.20000110F270 T279 C280 E281 T282 F284F270-C277 HydrophobicContact CE2-CB 4.38Å; F270-C277 VanDerWaalsContact CE2-SG 3.58Å; F270-C277 WeakPolarHBondContact CZ-SG 3.25Å; C277-T279 PolarHBondContact O-N 3.2Å; C277-T279 PolarHBondContact SG-N 3.38Å; C277-C280 WeakPolarHBondContact CB-SG 3.26Å; C277-C280 PolarHBondContact SG-SG 3.43Å; C277-E281 WeakPolarHBondContact O-CA 3.42Å; C277-E281 PolarHBondContact O-N 3.43Å; C277-T282 PolarHBondContact N-O 2.99Å; C277-T282 VanDerWaalsContact N-O 3.12Å; C277-F284 HydrophobicContact CB-CE2 4.17Å; C277-F284 HydrophobicContact CB-CZ 3.99Å
278T79.8Confident77.8Confident97 Ų9780.4 Ų80.460%0.59543%0.428SS*.THydrogen-bonded Turntrans-70.2-15.8178.155.60000113.6F270F270-T278 VanDerWaalsContact CE1-OG1 3.3Å; F270-T278 WeakPolarHBondContact CE1-OG1 3.26Å
279T80.8Confident76.2Confident80 Ų8085.8 Ų85.849%0.49146%0.463SS..THydrogen-bonded Turntrans-95.7-39.5-176.2-500000112.9C277C277-T279 PolarHBondContact O-N 3.2Å; C277-T279 PolarHBondContact SG-N 3.38Å
280C81.6Confident74.2Confident43 Ų4392.3 Ų92.329%0.29149%0.492SS..THydrogen-bonded Turntrans-117.76.1-176.959.30000113.4C263 C266 C277 T282C263-C280 VanDerWaalsContact SG-SG 3.61Å; C266-C280 HydrophobicContact CB-CB 4.16Å; C266-C280 PolarHBondContact SG-SG 3.5Å; C277-C280 WeakPolarHBondContact CB-SG 3.26Å; C277-C280 PolarHBondContact SG-SG 3.43Å; C280-T282 PolarHBondContact O-N 3.23Å; C280-T282 PolarHBondContact O-OG1 2.9Å; C280-T282 PolarHBondContact SG-OG1 3.41Å
281E82.8Confident72.3Confident167 Ų167100.5 Ų100.578%0.7853%0.533SS*.  trans54.413.2176.5-61.2178.9170.300114.8C277 A283C277-E281 WeakPolarHBondContact O-CA 3.42Å; C277-E281 PolarHBondContact O-N 3.43Å; E281-A283 PolarHBondContact O-N 3.5Å
282T81.4Confident70.4Confident57 Ų57105.9 Ų105.935%0.3557%0.565SS.*PPolyproline II helixtrans-81.5126.8-175.4-13.10000109.1C277 C280C277-T282 PolarHBondContact N-O 2.99Å; C277-T282 VanDerWaalsContact N-O 3.12Å; C280-T282 PolarHBondContact O-N 3.23Å; C280-T282 PolarHBondContact O-OG1 2.9Å; C280-T282 PolarHBondContact SG-OG1 3.41Å
283A80.2Confident68.5Low71 Ų71109 Ų10959%0.58757%0.573SS**BIsolated β-bridgetrans-77.5121.8173.400000109.6I276 E281 K285I276-A283 HydrophobicContact CG1-CB 4.46Å; E281-A283 PolarHBondContact O-N 3.5Å; A283-K285 PolarHBondContact O-N 3.35Å
284F79.5Confident66.8Low52 Ų52109.3 Ų109.323%0.22859%0.586CS.*PPolyproline II helixtrans-71.2120.8175.8-60.7-66.2000109.1C263 S274 P275 C277 I286C263-F284 HydrophobicContact CB-CE1 4.38Å; C263-F284 HydrophobicContact CB-CZ 3.91Å; C263-F284 VanDerWaalsContact SG-CZ 3.54Å; S274-F284 WeakPolarHBondContact O-CD2 3.49Å; S274-F284 WeakPolarHBondContact O-CE2 3.21Å; P275-F284 WeakPolarHBondContact O-CD2 3.43Å; P275-F284 PolarHBondContact O-N 3.06Å; C277-F284 HydrophobicContact CB-CE2 4.17Å; C277-F284 HydrophobicContact CB-CZ 3.99Å; F284-I286 HydrophobicContact CB-CG1 4.24Å; F284-I286 PolarHBondContact O-N 3.19Å
285K68.8Low65Low205 Ų205117.4 Ų117.489%0.89162%0.617SS**  trans-7482.7167.4-73.6-172.5180179.20108.4A283 Q287A283-K285 PolarHBondContact O-N 3.35Å; K285-Q287 PolarHBondContact O-N 2.69Å
286I70.5Confident63.5Low83 Ų83123.4 Ų123.443%0.42664%0.636SS.*  trans-69103.3173.3-52.9154.2000106.1F273 P275 F284 L288F273-I286 HydrophobicContact CE1-CD1 3.7Å; F273-I286 HydrophobicContact CZ-CD1 3.41Å; F273-I286 VanDerWaalsContact CZ-CD1 3.41Å; F273-I286 HydrophobicContact CZ-CG1 3.87Å; P275-I286 HydrophobicContact CB-CD1 4.31Å; F284-I286 HydrophobicContact CB-CG1 4.24Å; F284-I286 PolarHBondContact O-N 3.19Å; I286-L288 PolarHBondContact O-N 2.78Å
287Q57.2Low61.7Low185 Ų185128.4 Ų128.486%0.86465%0.654SS**  trans-69.496160.3-66.6-162.8-1.400105.7K285K285-Q287 PolarHBondContact O-N 2.69Å
288L52.2Low59.8Low137 Ų137137.9 Ų137.972%0.71770%0.695SS**  trans-49.7129.5166.3-80.493.8000106.5I286 Q290I286-L288 PolarHBondContact O-N 2.78Å; L288-Q290 PolarHBondContact O-N 3.2Å
289P46.6Very low58.2Low116 Ų116141.3 Ų141.375%0.75371%0.708SS**  trans-50.7115.2167.1-2130.2000106.2M291P289-M291 PolarHBondContact O-N 3.35Å
290Q44.8Very low56.3Low181 Ų181147.2 Ų147.285%0.84673%0.728SS**  trans-54.4110.1176.7-75.3-173.5-2600106L288 V292L288-Q290 PolarHBondContact O-N 3.2Å; Q290-V292 PolarHBondContact O-N 3.35Å
291M43.8Very low54.5Low176 Ų176154.4 Ų154.487%0.86776%0.757SS**  trans-49.1110172.7-78.616964.200106.3P289 K293P289-M291 PolarHBondContact O-N 3.35Å; M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 2.98Å
292V44.9Very low52.6Low137 Ų137151.3 Ų151.383%0.8376%0.76SS**  trans-57.4101.1171.6177.80000104.7Q290 P294Q290-V292 PolarHBondContact O-N 3.35Å; V292-P294 WeakPolarHBondContact O-CD 3.31Å; V292-P294 VanDerWaalsContact O-N 3.09Å
293K41.2Very low50.6Low183 Ų183156.9 Ų156.980%0.79681%0.812SS**  trans-52.6122.2178.1-69.4-178.9-179.5177.80106M291 K295M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 2.98Å; K293-K295 PolarHBondContact O-N 2.99Å
294P45.4Very low49.2Very low119 Ų119161.2 Ų161.277%0.77382%0.823SS**  trans-59.2115.4177.422.2-29.9000107.1V292 K296V292-P294 WeakPolarHBondContact O-CD 3.31Å; V292-P294 VanDerWaalsContact O-N 3.09Å; P294-K296 PolarHBondContact O-N 2.87Å
295K42.3Very low47.6Very low201 Ų201166.9 Ų166.987%0.87485%0.854SS**  trans-54.7111.6171.4-90.3-179.2174.4174.90106.4K293 K297K293-K295 PolarHBondContact O-N 2.99Å; K295-K297 PolarHBondContact O-N 3.07Å
296K44.3Very low46.4Very low203 Ų203164.8 Ų164.888%0.88385%0.852SS**  trans-50.8107.9169.7-76.5-175.3174.8-178.30107.6P294 K298P294-K296 PolarHBondContact O-N 2.87Å; K296-K298 PolarHBondContact O-N 3.42Å
297K45.3Very low45Very low204 Ų204169.6 Ų169.689%0.88788%0.877SS**  trans-60.1109.4165.3-87.1-177.5174.81780106.2K295 L299K295-K297 PolarHBondContact O-N 3.07Å; K297-L299 PolarHBondContact O-N 3.11Å; K297-L299 VanDerWaalsContact O-N 3.15Å
298K42.9Very low44.2Very low199 Ų199168.7 Ų168.787%0.86588%0.878SS**  trans-59.5115.5165.3-77.9-174.9173.9-176.40106.8K296 K300K296-K298 PolarHBondContact O-N 3.42Å; K298-K300 PolarHBondContact O-N 2.91Å
299L46.3Very low43.7Very low168 Ų168170.8 Ų170.888%0.8889%0.889SS**PPolyproline II helixtrans-58.2118.8164.4-119.386.9000107K297 Q301K297-L299 PolarHBondContact O-N 3.11Å; K297-L299 VanDerWaalsContact O-N 3.15Å; L299-Q301 PolarHBondContact O-N 3.11Å
300K40.3Very low43.5Very low205 Ų205174.7 Ų174.789%0.89190%0.899SS**PPolyproline II helixtrans-68.5120.6162.9-84.7-178.5171-177.10106.9K298 A302K298-K300 PolarHBondContact O-N 2.91Å; K300-A302 PolarHBondContact O-N 3.37Å
301Q43.5Very low43.4Very low193 Ų193174.2 Ų174.290%0.90290%0.903SS**PPolyproline II helixtrans-60.6123163.6-78.1168.4-26.500107.8L299L299-Q301 PolarHBondContact O-N 3.11Å
302A42.3Very low43.3Very low102 Ų102174.1 Ų174.184%0.84391%0.906SS**PPolyproline II helixtrans-80.7125.8165.300000107.5K300K300-A302 PolarHBondContact O-N 3.37Å
303A41.3Very low43.2Very low175 Ų175177.5 Ų177.5100%1.44691%0.913SS**  trans-76.90164.900000110.1

Retrieved 303 of 303 residues in 358.4 ms (Link to these results)