A0A060W525_ONCMY Loading...

Glutamate--cysteine ligase regulatory subunit

AlphaFold DB , UniProt , Accession A0A060W525, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524422, Length 278 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
1M47.7Very low67Low220 Ų22075.2 Ų75.2100%1.08439%0.393SS*.  0117.20-81.917717900106.2
2D58.2Low68.1Low113 Ų11369.3 Ų69.360%0.60436%0.362SS*.  trans-68.2136-176-66.6-23.2000110.3H4 T5 T6D2-H4 PolarHBondContact O-N 2.87Å; D2-T5 PolarHBondContact O-N 2.72Å; D2-T5 VanDerWaalsContact O-N 3.15Å; D2-T6 PolarHBondContact O-N 2.72Å; D2-T6 PolarHBondContact O-OG1 3.49Å
3N58.5Low69.1Low123 Ų12369.8 Ų69.866%0.65837%0.365SS*.Hα-helixtrans-58.8-28.9-177.3-84.3-7.7000112.6S7N3-S7 PolarHBondContact O-N 3.1Å; N3-S7 PolarHBondContact O-OG 2.91Å
4H60.9Low70.2Confident87 Ų8769.4 Ų69.440%0.40336%0.361SS..Hα-helixtrans-68.6-43.4176.8-66.3-73.8000112.2D2 T6 S7 A8 I58D2-H4 PolarHBondContact O-N 2.87Å; H4-T6 VanDerWaalsContact C-N 3.28Å; H4-T6 PolarHBondContact O-N 2.7Å; H4-S7 WeakPolarHBondContact O-CB 3.47Å; H4-S7 PolarHBondContact O-N 3.29Å; H4-S7 VanDerWaalsContact O-N 3.13Å; H4-A8 WeakPolarHBondContact O-CB 3.5Å; H4-A8 PolarHBondContact O-N 3.37Å; H4-I58 PolarHBondContact ND1-O 2.81Å; H4-I58 VanDerWaalsContact ND1-O 3.13Å
5T62.5Low71.3Confident39 Ų3964.8 Ų64.824%0.23934%0.337CS..Hα-helixtrans-62.6-36.5177-43.50000111.8D2 K9D2-T5 PolarHBondContact O-N 2.72Å; D2-T5 VanDerWaalsContact O-N 3.15Å; T5-K9 PolarHBondContact O-N 3.11Å
6T67.4Low72.4Confident68 Ų6864.3 Ų64.342%0.41734%0.337SS..Hα-helixtrans-68.5-35.8176.8-53.20000111.9D2 H4 K9 V10D2-T6 PolarHBondContact O-N 2.72Å; D2-T6 PolarHBondContact O-OG1 3.49Å; H4-T6 VanDerWaalsContact C-N 3.28Å; H4-T6 PolarHBondContact O-N 2.7Å; T6-K9 WeakPolarHBondContact O-CB 3.29Å; T6-V10 WeakPolarHBondContact O-CG2 3.36Å; T6-V10 PolarHBondContact O-N 3.43Å
7S72.4Confident73.5Confident8 Ų861.6 Ų61.66%0.05632%0.324CS..Hα-helixtrans-72.6-45.3179.7-58.50000112.1N3 H4 K9 V10 L11 P60 P61N3-S7 PolarHBondContact O-N 3.1Å; N3-S7 PolarHBondContact O-OG 2.91Å; H4-S7 WeakPolarHBondContact O-CB 3.47Å; H4-S7 PolarHBondContact O-N 3.29Å; H4-S7 VanDerWaalsContact O-N 3.13Å; S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 PolarHBondContact O-N 3.42Å; S7-V10 PolarHBondContact O-N 2.95Å; S7-L11 PolarHBondContact O-N 3.4Å; S7-L11 VanDerWaalsContact O-N 3.17Å; S7-P60 VanDerWaalsContact OG-CA 3.32Å; S7-P60 WeakPolarHBondContact OG-CA 3.48Å; S7-P60 WeakPolarHBondContact OG-CB 3.45Å; S7-P61 WeakPolarHBondContact OG-CD 3.49Å
8A74.2Confident74.5Confident2 Ų258.2 Ų58.22%0.01731%0.306CS..Hα-helixtrans-53.4-43.517300000112.5H4 V10 L11 L12 F55H4-A8 WeakPolarHBondContact O-CB 3.5Å; H4-A8 PolarHBondContact O-N 3.37Å; A8-V10 PolarHBondContact O-N 3.49Å; A8-L11 PolarHBondContact O-N 2.6Å; A8-L12 PolarHBondContact O-N 3.05Å; A8-F55 HydrophobicContact CB-CB 4.2Å; A8-F55 HydrophobicContact CB-CD1 3.17Å; A8-F55 HydrophobicContact CB-CD2 4.35Å; A8-F55 HydrophobicContact CB-CE1 3.5Å; A8-F55 HydrophobicContact CB-CG 3.68Å; A8-F55 HydrophobicContact CB-CZ 4.26Å
9K74.4Confident75.5Confident89 Ų8955.8 Ų55.839%0.38729%0.294SS..Hα-helixtrans-57.3-50.5177.1-172.9-175-172.7148.80112.5T5 T6 S7 L11 L12 N13 L237T5-K9 PolarHBondContact O-N 3.11Å; T6-K9 WeakPolarHBondContact O-CB 3.29Å; S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 PolarHBondContact O-N 3.42Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.07Å; K9-L12 PolarHBondContact O-N 3.39Å; K9-N13 VanDerWaalsContact O-CB 3.24Å; K9-N13 WeakPolarHBondContact O-CB 3.44Å; K9-N13 VanDerWaalsContact O-CG 3.31Å; K9-N13 PolarHBondContact O-N 3.43Å; K9-L237 HydrophobicContact CB-CD1 3.53Å; K9-L237 HydrophobicContact CB-CD2 4.29Å; K9-L237 HydrophobicContact CD-CD1 4.14Å; K9-L237 HydrophobicContact CD-CD2 3.31Å; K9-L237 HydrophobicContact CD-CG 4.39Å; K9-L237 HydrophobicContact CG-CD1 3.65Å; K9-L237 HydrophobicContact CG-CD2 3.62Å; K9-L237 HydrophobicContact CG-CG 4.25Å
10V78.7Confident76.4Confident59 Ų5953.3 Ų53.336%0.35828%0.28SS..Hα-helixtrans-64.2-41-174.9172.70000109.8T6 S7 A8 H14 L67T6-V10 WeakPolarHBondContact O-CG2 3.36Å; T6-V10 PolarHBondContact O-N 3.43Å; S7-V10 PolarHBondContact O-N 2.95Å; A8-V10 PolarHBondContact O-N 3.49Å; V10-H14 WeakPolarHBondContact O-CB 3.3Å; V10-H14 PolarHBondContact O-N 2.92Å; V10-L67 HydrophobicContact CG1-CD1 3.52Å; V10-L67 HydrophobicContact CG1-CD2 3.83Å; V10-L67 HydrophobicContact CG1-CG 4.35Å
11L82.1Confident77.2Confident19 Ų1951.5 Ų51.510%0.09927%0.271CS..Hα-helixtrans-62.9-54.9176.5-69.7167.7000111.6S7 A8 K9 N13 H14 A15 W54 I58 L67 P68 I71S7-L11 PolarHBondContact O-N 3.4Å; S7-L11 VanDerWaalsContact O-N 3.17Å; A8-L11 PolarHBondContact O-N 2.6Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 3.07Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.45Å; L11-H14 PolarHBondContact O-N 3.5Å; L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.11Å; L11-W54 HydrophobicContact CD1-CH2 4.34Å; L11-I58 HydrophobicContact CD1-CD1 4.2Å; L11-I58 HydrophobicContact CD1-CG2 3.77Å; L11-L67 HydrophobicContact CD2-CD2 3.75Å; L11-L67 HydrophobicContact CG-CD2 4.48Å; L11-P68 HydrophobicContact CD2-CG 4.23Å; L11-I71 HydrophobicContact CB-CD1 3.88Å
12L80.7Confident79.3Confident4 Ų441 Ų412%0.02122%0.219CC..Hα-helixtrans-62.9-33.7-179.2-76.6-179.5000113.1A8 K9 H14 L18 F55 I71 V230 T234 W242A8-L12 PolarHBondContact O-N 3.05Å; K9-L12 PolarHBondContact O-N 3.39Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-L18 HydrophobicContact CD2-CD1 4.4Å; L12-F55 HydrophobicContact CD1-CE1 4.09Å; L12-F55 HydrophobicContact CD1-CZ 3.53Å; L12-F55 HydrophobicContact CG-CE1 4.29Å; L12-F55 HydrophobicContact CG-CZ 4.18Å; L12-I71 HydrophobicContact CD2-CD1 3.99Å; L12-V230 HydrophobicContact CD1-CG1 4.37Å; L12-T234 HydrophobicContact CD1-CG2 3.68Å; L12-W242 HydrophobicContact CD2-CZ2 3.99Å; L12-W242 WeakPolarHBondContact O-CZ2 3.39Å
13N80.5Confident80.8Confident76 Ų7635.7 Ų35.741%0.40619%0.19SC..Hα-helixtrans-76.1-17.8175.9-76.8-11.3000113.2K9 L11 R271K9-N13 VanDerWaalsContact O-CB 3.24Å; K9-N13 WeakPolarHBondContact O-CB 3.44Å; K9-N13 VanDerWaalsContact O-CG 3.31Å; K9-N13 PolarHBondContact O-N 3.43Å; L11-N13 VanDerWaalsContact C-N 3.28Å; L11-N13 PolarHBondContact O-N 3.45Å; N13-R271 PolarHBondContact O-NH1 2.81Å
14H84.2Confident82.3Confident65 Ų6529.9 Ų29.930%0.30116%0.159SC..Hα-helixtrans-86.8-53.2173.6-177.9-90.6000110.7V10 L11 L12 L67 P68 D69 R271V10-H14 WeakPolarHBondContact O-CB 3.3Å; V10-H14 PolarHBondContact O-N 2.92Å; L11-H14 PolarHBondContact O-N 3.5Å; L12-H14 VanDerWaalsContact C-N 3.3Å; H14-L67 HydrophobicContact CB-CB 3.93Å; H14-L67 HydrophobicContact CB-CD1 3.91Å; H14-L67 HydrophobicContact CB-CG 4.49Å; H14-L67 PolarHBondContact CE1-O 2.91Å; H14-L67 VanDerWaalsContact CG-CB 3.41Å; H14-L67 WeakPolarHBondContact ND1-CB 3.21Å; H14-L67 PolarHBondContact ND1-O 3.33Å; H14-P68 PolarHBondContact ND1-O 3.32Å; H14-D69 IonicContact CE1-OD1 2.58Å; H14-D69 PolarHBondContact CE1-OD1 3.36Å; H14-D69 IonicContact ND1-OD1 2.73Å; H14-R271 PolarHBondContact O-NH1 3.36Å; H14-R271 VanDerWaalsContact O-NH1 3.16Å; H14-R271 PolarHBondContact O-NH2 3.28Å
15A87.4Confident83.5Confident0 Ų026 Ų260%014%0.142CC..  trans-58.5142.2-17100000113.3L11 D69 I71 W242 R271L11-A15 WeakPolarHBondContact O-CB 3.44Å; L11-A15 PolarHBondContact O-N 3.11Å; A15-D69 CarbonylContact C-O 3.59Å; A15-D69 WeakPolarHBondContact CA-O 3.44Å; A15-D69 WeakPolarHBondContact CB-O 3.15Å; A15-I71 HydrophobicContact CB-CB 4.47Å; A15-I71 HydrophobicContact CB-CD1 3.37Å; A15-I71 HydrophobicContact CB-CG1 3.6Å; A15-W242 HydrophobicContact CB-CH2 4.09Å; A15-W242 WeakPolarHBondContact O-CH2 3.25Å; A15-R271 PolarHBondContact O-NE 2.77Å; A15-R271 PolarHBondContact O-NH1 3.48Å
16T88.9Confident84.5Confident56 Ų5625.6 Ų25.634%0.34414%0.139SC..SBendtrans-99.5-17.9172.952.70000112.2D69 K270 R271T16-D69 PolarHBondContact N-O 2.87Å; T16-D69 PolarHBondContact OG1-O 3.16Å; T16-K270 CarbonylContact O-C 3.56Å; T16-K270 VanDerWaalsContact O-CA 3.3Å; T16-K270 WeakPolarHBondContact O-CA 3.33Å; T16-R271 PolarHBondContact O-N 2.65Å
17T91.1Very high84.8Confident20 Ų2026.4 Ų26.412%0.12314%0.141CC..EExtended strand (participates in β ladder)trans-130.9136-176.5-58.60000110.7D69 T70 I71 H268T17-D69 PolarHBondContact N-O 2.66Å; T17-T70 HydrophobicContact CG2-CG2 4.01Å; T17-T70 WeakPolarHBondContact O-CA 3.27Å; T17-I71 PolarHBondContact O-N 3.27Å; T17-H268 WeakPolarHBondContact CG2-CE1 3.28Å
18L91.3Very high84.6Confident0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-128117.1178.417864.9000109.2L12 L20 I71 C73 F226 W242 H268 A269L12-L18 HydrophobicContact CD2-CD1 4.4Å; L18-L20 HydrophobicContact CD1-CD2 3.67Å; L18-L20 HydrophobicContact CD1-CG 4.48Å; L18-L20 HydrophobicContact CD2-CD1 4.45Å; L18-L20 HydrophobicContact CD2-CD2 4.11Å; L18-L20 HydrophobicContact CD2-CG 4.38Å; L18-L20 HydrophobicContact CG-CD2 3.82Å; L18-L20 HydrophobicContact CG-CG 4.12Å; L18-I71 HydrophobicContact CD1-CB 4.03Å; L18-I71 HydrophobicContact CD1-CG2 3.75Å; L18-C73 VanDerWaalsContact CD1-SG 3.59Å; L18-F226 HydrophobicContact CD2-CZ 4.35Å; L18-W242 HydrophobicContact CB-CD2 4.49Å; L18-W242 HydrophobicContact CB-CE3 3.84Å; L18-W242 HydrophobicContact CB-CH2 3.83Å; L18-W242 HydrophobicContact CB-CZ2 4.47Å; L18-W242 HydrophobicContact CB-CZ3 3.48Å; L18-W242 VanDerWaalsContact CB-CZ3 3.48Å; L18-H268 WeakPolarHBondContact O-CA 3.39Å; L18-A269 HydrophobicContact CB-CB 4.36Å; L18-A269 PolarHBondContact N-O 2.99Å; L18-A269 PolarHBondContact O-N 3.4Å
19N93.7Very high83.8Confident12 Ų1231 Ų316%0.06417%0.167CC..EExtended strand (participates in β ladder)trans-105.9129.6169.7-59.8-53.9000108.8T70 I71 D72 C73 K112 V267 H268N19-T70 WeakPolarHBondContact ND2-CG2 3.4Å; N19-I71 PolarHBondContact N-O 3.21Å; N19-D72 VanDerWaalsContact CB-OD1 3.23Å; N19-D72 WeakPolarHBondContact CB-OD1 3.45Å; N19-D72 PolarHBondContact ND2-OD1 2.73Å; N19-C73 PolarHBondContact O-N 3.49Å; N19-K112 PolarHBondContact ND2-NZ 3.48Å; N19-K112 WeakPolarHBondContact OD1-CE 3.43Å; N19-K112 PolarHBondContact OD1-NZ 2.97Å; N19-V267 CarbonylContact C-O 3.52Å; N19-V267 WeakPolarHBondContact CA-O 3.05Å; N19-H268 PolarHBondContact OD1-ND1 2.89Å
20L93.2Very high82.8Confident5 Ų536.5 Ų36.53%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-119.4137.8174.8-47.8172.8000110.3L18 V47 L51 C73 F226 L266 V267L18-L20 HydrophobicContact CD1-CD2 3.67Å; L18-L20 HydrophobicContact CD1-CG 4.48Å; L18-L20 HydrophobicContact CD2-CD1 4.45Å; L18-L20 HydrophobicContact CD2-CD2 4.11Å; L18-L20 HydrophobicContact CD2-CG 4.38Å; L18-L20 HydrophobicContact CG-CD2 3.82Å; L18-L20 HydrophobicContact CG-CG 4.12Å; L20-V47 HydrophobicContact CD1-CB 4.37Å; L20-V47 HydrophobicContact CD1-CG1 3.76Å; L20-V47 HydrophobicContact CD1-CG2 4.06Å; L20-L51 HydrophobicContact CD1-CD1 4.5Å; L20-L51 HydrophobicContact CD1-CG 4.5Å; L20-L51 HydrophobicContact CD2-CD2 3.61Å; L20-L51 HydrophobicContact CD2-CG 4.1Å; L20-C73 CarbonylContact C-O 3.54Å; L20-C73 WeakPolarHBondContact CA-O 3.35Å; L20-C73 HydrophobicContact CD2-CB 3.42Å; L20-C73 VanDerWaalsContact CD2-CB 3.42Å; L20-C73 VanDerWaalsContact CD2-SG 3.56Å; L20-F226 HydrophobicContact CD1-CE2 4.2Å; L20-L266 CarbonylContact O-C 3.59Å; L20-L266 VanDerWaalsContact O-CA 3.3Å; L20-L266 WeakPolarHBondContact O-CA 3.41Å; L20-V267 HydrophobicContact CB-CB 4.03Å; L20-V267 HydrophobicContact CD1-CB 4.25Å; L20-V267 HydrophobicContact CD1-CG1 4.38Å; L20-V267 HydrophobicContact CG-CB 4.36Å; L20-V267 PolarHBondContact N-O 3.18Å; L20-V267 PolarHBondContact O-N 2.73Å
21H94.1Very high81.4Confident17 Ų1740.8 Ų40.88%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-124.2116.3168.2-177.9-169.5000110.2G23 T50 C73 T79 Y250 L266H21-G23 PolarHBondContact CD2-N 3.42Å; H21-G23 PolarHBondContact O-N 3.21Å; H21-T50 WeakPolarHBondContact O-CG2 3.38Å; H21-C73 PolarHBondContact N-O 2.93Å; H21-T79 WeakPolarHBondContact CE1-CG2 3.26Å; H21-T79 PolarHBondContact CE1-OG1 3.48Å; H21-Y250 AromaticContact CD2-CE1 3.98Å; H21-Y250 AromaticContact NE2-CE1 3.56Å; H21-Y250 AromaticContact NE2-CZ 3.65Å; H21-Y250 PolarHBondContact NE2-OH 2.86Å; H21-L266 HydrophobicContact CB-CD2 3.6Å; H21-L266 WeakPolarHBondContact CD2-CD2 3.47Å; H21-L266 VanDerWaalsContact CG-CD2 3.42Å
22T91.3Very high80.3Confident0 Ų044 Ų440%022%0.219CC..  trans-78.3-4.2-173.669.10000114.5R28 C46 Y265T22-R28 PolarHBondContact O-NH1 3Å; T22-C46 HydrophobicContact CG2-CB 3.7Å; T22-Y265 HydrophobicContact CG2-CD2 4.4Å; T22-Y265 PolarHBondContact N-O 2.9Å; T22-Y265 PolarHBondContact OG1-N 3.04Å; T22-Y265 PolarHBondContact OG1-O 2.99Å
23G89.3Confident79.2Confident0 Ų054.5 Ų54.50%026%0.264CS..  trans62.1-167.5-171.800000113.7H21 L25 Y250H21-G23 PolarHBondContact CD2-N 3.42Å; H21-G23 PolarHBondContact O-N 3.21Å; G23-L25 PolarHBondContact O-N 3.17Å; G23-Y250 PolarHBondContact O-OH 2.82Å
24N89.3Confident78.5Confident1 Ų157.5 Ų57.51%0.00527%0.274CS..  trans-76.4104.1-179-173.4-2000111.8V26 N27 R28 A78 E80 K261 A262 K263N24-V26 PolarHBondContact O-N 3.16Å; N24-V26 VanDerWaalsContact OD1-CB 3.25Å; N24-V26 WeakPolarHBondContact OD1-CB 3.33Å; N24-V26 WeakPolarHBondContact OD1-CG2 3.49Å; N24-V26 PolarHBondContact OD1-N 3.32Å; N24-N27 PolarHBondContact O-N 2.91Å; N24-R28 PolarHBondContact O-N 2.86Å; N24-A78 WeakPolarHBondContact CB-O 3.05Å; N24-A78 PolarHBondContact N-O 3.05Å; N24-E80 PolarHBondContact ND2-OE2 2.83Å; N24-K261 PolarHBondContact ND2-O 2.84Å; N24-A262 HydrophobicContact CB-CB 4.26Å; N24-A262 WeakPolarHBondContact ND2-CB 3.48Å; N24-A262 WeakPolarHBondContact OD1-CA 3.36Å; N24-K263 WeakPolarHBondContact CA-O 3.31Å; N24-K263 PolarHBondContact OD1-N 2.97Å
25L87.2Confident77.6Confident6 Ų659.7 Ų59.73%0.03130%0.295CS..Hα-helixtrans-71.4-16.2179.2-54.5-177.2000113.7G23 N27 R28 S29 E42 C46 K263 Y265G23-L25 PolarHBondContact O-N 3.17Å; L25-N27 PolarHBondContact O-N 2.95Å; L25-R28 PolarHBondContact O-N 3.1Å; L25-S29 VanDerWaalsContact O-CB 3.27Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.35Å; L25-S29 PolarHBondContact O-OG 2.68Å; L25-E42 HydrophobicContact CD1-CG 4.35Å; L25-C46 HydrophobicContact CD2-CB 4.32Å; L25-C46 WeakPolarHBondContact CD2-SG 3.34Å; L25-K263 HydrophobicContact CB-CG 4.01Å; L25-K263 WeakPolarHBondContact CG-O 3.49Å; L25-K263 PolarHBondContact N-O 3.28Å; L25-Y265 HydrophobicContact CD1-CD2 3.68Å; L25-Y265 HydrophobicContact CD1-CE2 3.43Å; L25-Y265 VanDerWaalsContact CD1-CE2 3.43Å
26V83.6Confident76.9Confident30 Ų3061.4 Ų61.418%0.18231%0.306CS..Hα-helixtrans-63.7-35.7173.7-177.90000110.3N24 S29 I260 K263N24-V26 PolarHBondContact O-N 3.16Å; N24-V26 VanDerWaalsContact OD1-CB 3.25Å; N24-V26 WeakPolarHBondContact OD1-CB 3.33Å; N24-V26 WeakPolarHBondContact OD1-CG2 3.49Å; N24-V26 PolarHBondContact OD1-N 3.32Å; V26-S29 PolarHBondContact O-OG 2.99Å; V26-I260 HydrophobicContact CG2-CG2 3.9Å; V26-K263 HydrophobicContact CG2-CG 4.07Å
27N73.8Confident76.3Confident86 Ų8663.7 Ų63.746%0.4632%0.324SS..Hα-helixtrans-79.2-35.9177.4-66.8-23000111.8N24 L25N24-N27 PolarHBondContact O-N 2.91Å; L25-N27 PolarHBondContact O-N 2.95Å
28R67.2Low76.1Confident37 Ų3765 Ų6514%0.1433%0.334CS..Hα-helixtrans-75-36.6-179.7-71.7177.7155.1-166-17.3114T22 N24 L25 R30 L31 K32 T50 E53T22-R28 PolarHBondContact O-NH1 3Å; N24-R28 PolarHBondContact O-N 2.86Å; L25-R28 PolarHBondContact O-N 3.1Å; R28-R30 PolarHBondContact O-N 3.38Å; R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 2.93Å; R28-K32 PolarHBondContact O-N 3.49Å; R28-T50 PolarHBondContact NH1-OG1 3.35Å; R28-T50 VanDerWaalsContact NH1-OG1 3.11Å; R28-E53 IonicContact CZ-OE2 2.75Å; R28-E53 IonicContact NH2-OE2 2.65Å; R28-E53 PolarHBondContact NH2-OE2 3.21Å
29S58.1Low75.9Confident69 Ų6965.9 Ų65.948%0.48334%0.34SS..Hα-helixtrans-62-29.6179.853.40000112.4L25 V26 L31L25-S29 VanDerWaalsContact O-CB 3.27Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.35Å; L25-S29 PolarHBondContact O-OG 2.68Å; V26-S29 PolarHBondContact O-OG 2.99Å; S29-L31 PolarHBondContact O-N 3.36Å
30R53.4Low75.7Confident204 Ų20466.9 Ų66.977%0.7735%0.348SS*.THydrogen-bonded Turntrans-66.1-18.9171.9-63.6-178.5-178.1-164.91113.9R28R28-R30 PolarHBondContact O-N 3.38Å
31L49.9Very low75.5Confident149 Ų14968.5 Ų68.578%0.7836%0.355SS*.THydrogen-bonded Turntrans-97.2-18.1-176.3-60.2171.6000113R28 S29R28-L31 WeakPolarHBondContact O-CB 3.47Å; R28-L31 PolarHBondContact O-N 2.93Å; S29-L31 PolarHBondContact O-N 3.36Å
32K58.7Low75.3Confident87 Ų8769.2 Ų69.238%0.37836%0.359SS..  trans-88.9135179.8-74.4-169.2171.1-172.60111.7R28 K34 D45R28-K32 PolarHBondContact O-N 3.49Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 2.91Å; K32-D45 VanDerWaalsContact NZ-CB 3.33Å; K32-D45 IonicContact NZ-OD2 2.81Å; K32-D45 PolarHBondContact NZ-OD2 2.92Å
33K57.4Low75.3Confident225 Ų22569.2 Ų69.298%0.97836%0.359SS*.SBendtrans-70.8-18.9176.9-73.2-178.3178.8176.30114.2
34K65.9Low75.3Confident139 Ų13970.6 Ų70.660%0.60437%0.365SS*.SBendtrans-124.5127.5-179-169.3-169.2175.4-149.70109.3K32 E41K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 2.91Å; K34-E41 IonicContact NZ-OE1 2.86Å; K34-E41 PolarHBondContact NZ-OE1 2.83Å
35C65.6Low75.3Confident111 Ų11172.2 Ų72.275%0.7537%0.374SS*.  trans-76.6135.8171.5-162.90000109
36P72.8Confident75.4Confident35 Ų3572.5 Ų72.523%0.22738%0.376CS..  trans-57.6140173.5-19.930.8000110.9E41 E42P36-E41 HydrophobicContact CB-CB 4.36Å; P36-E41 HydrophobicContact CB-CG 4.46Å; P36-E42 HydrophobicContact CB-CB 3.83Å; P36-E42 HydrophobicContact CG-CB 3.89Å; P36-E42 HydrophobicContact CG-CG 4.19Å
37S75.8Confident75.7Confident104 Ų10471.1 Ų71.173%0.72737%0.368SS*.SBendtrans-83.6-15.9179.265.80000113.4E41S37-E41 VanDerWaalsContact CB-OE2 3.28Å; S37-E41 WeakPolarHBondContact CB-OE2 3.17Å; S37-E41 PolarHBondContact N-OE2 3.12Å; S37-E41 PolarHBondContact OG-OE2 3.45Å
38S86.1Confident76.5Confident47 Ų4769.9 Ų69.933%0.32936%0.357SS..SBendtrans-151.2162.117966.90000112.3S40 E41 E42S38-S40 PolarHBondContact O-N 3.09Å; S38-E41 PolarHBondContact O-N 2.93Å; S38-E41 PolarHBondContact OG-N 3.31Å; S38-E41 VanDerWaalsContact OG-N 3.11Å; S38-E42 PolarHBondContact O-N 3.43Å
39P87.7Confident77.4Confident19 Ų1969.8 Ų69.812%0.12336%0.364CS..Hα-helixtrans-56.8-35.4170.4-26.335.9000113.5E42 I43 L220P39-E42 PolarHBondContact O-N 3.48Å; P39-I43 WeakPolarHBondContact O-CG2 3.47Å; P39-I43 PolarHBondContact O-N 2.95Å; P39-L220 HydrophobicContact CB-CD1 3.91Å
40S89.8Confident78.9Confident33 Ų3366.5 Ų66.523%0.23134%0.341CS..Hα-helixtrans-65.3-45176.1-61.40000113S38 E42 I43 Q44 P217 L220S38-S40 PolarHBondContact O-N 3.09Å; S40-E42 VanDerWaalsContact C-N 3.3Å; S40-E42 PolarHBondContact O-N 3.15Å; S40-I43 VanDerWaalsContact O-CG2 3.23Å; S40-I43 WeakPolarHBondContact O-CG2 3.46Å; S40-I43 PolarHBondContact O-N 3.43Å; S40-Q44 WeakPolarHBondContact O-CB 3.39Å; S40-Q44 PolarHBondContact O-N 2.85Å; S40-P217 WeakPolarHBondContact OG-CG 3.48Å; S40-L220 VanDerWaalsContact CA-O 3.25Å; S40-L220 WeakPolarHBondContact CA-O 3.42Å; S40-L220 VanDerWaalsContact CB-O 3.27Å; S40-L220 WeakPolarHBondContact CB-O 3.39Å; S40-L220 PolarHBondContact OG-O 2.79Å
41E88.4Confident80.5Confident40 Ų4056.8 Ų56.819%0.18730%0.304CS..Hα-helixtrans-63.1-41.5175-170.9-178.4-174.200109.7K34 P36 S37 S38 I43 Q44 D45K34-E41 IonicContact NZ-OE1 2.86Å; K34-E41 PolarHBondContact NZ-OE1 2.83Å; P36-E41 HydrophobicContact CB-CB 4.36Å; P36-E41 HydrophobicContact CB-CG 4.46Å; S37-E41 VanDerWaalsContact CB-OE2 3.28Å; S37-E41 WeakPolarHBondContact CB-OE2 3.17Å; S37-E41 PolarHBondContact N-OE2 3.12Å; S37-E41 PolarHBondContact OG-OE2 3.45Å; S38-E41 PolarHBondContact O-N 2.93Å; S38-E41 PolarHBondContact OG-N 3.31Å; S38-E41 VanDerWaalsContact OG-N 3.11Å; E41-I43 PolarHBondContact O-N 3.21Å; E41-Q44 PolarHBondContact O-N 2.94Å; E41-D45 WeakPolarHBondContact O-CB 3.47Å; E41-D45 PolarHBondContact O-N 2.97Å
42E90.5Very high82.3Confident31 Ų3152.2 Ų52.215%0.14529%0.285CS..Hα-helixtrans-57.4-51.4178.1-177.7175.497.800111.9L25 P36 S38 P39 S40 D45 C46 K263 Y265L25-E42 HydrophobicContact CD1-CG 4.35Å; P36-E42 HydrophobicContact CB-CB 3.83Å; P36-E42 HydrophobicContact CG-CB 3.89Å; P36-E42 HydrophobicContact CG-CG 4.19Å; S38-E42 PolarHBondContact O-N 3.43Å; P39-E42 PolarHBondContact O-N 3.48Å; S40-E42 VanDerWaalsContact C-N 3.3Å; S40-E42 PolarHBondContact O-N 3.15Å; E42-D45 PolarHBondContact O-N 3.19Å; E42-C46 WeakPolarHBondContact O-CB 3.15Å; E42-C46 PolarHBondContact O-N 3.2Å; E42-C46 PolarHBondContact O-SG 3.05Å; E42-K263 IonicContact OE1-NZ 2.67Å; E42-K263 PolarHBondContact OE1-NZ 3.31Å; E42-K263 IonicContact OE2-NZ 3.94Å; E42-K263 PolarHBondContact OE2-NZ 2.96Å; E42-Y265 HydrophobicContact CG-CE2 4.2Å; E42-Y265 WeakPolarHBondContact OE1-CE2 3.36Å; E42-Y265 PolarHBondContact OE1-OH 2.75Å
43I90.4Very high83.6Confident1 Ų152.1 Ų52.11%0.00529%0.285CS..Hα-helixtrans-67.7-42.1-178.2-174.8167.9000112.3P39 S40 E41 D45 C46 V47 L220 I221 V247 Y265 V267P39-I43 WeakPolarHBondContact O-CG2 3.47Å; P39-I43 PolarHBondContact O-N 2.95Å; S40-I43 VanDerWaalsContact O-CG2 3.23Å; S40-I43 WeakPolarHBondContact O-CG2 3.46Å; S40-I43 PolarHBondContact O-N 3.43Å; E41-I43 PolarHBondContact O-N 3.21Å; I43-D45 VanDerWaalsContact C-N 3.29Å; I43-D45 PolarHBondContact O-N 3.19Å; I43-C46 PolarHBondContact O-N 3.27Å; I43-C46 VanDerWaalsContact O-N 3.12Å; I43-V47 HydrophobicContact CG1-CG2 4.22Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 2.76Å; I43-L220 HydrophobicContact CD1-CD2 4.03Å; I43-L220 HydrophobicContact CD1-CG 4.41Å; I43-L220 HydrophobicContact CG2-CG 4.32Å; I43-I221 HydrophobicContact CD1-CG2 4.13Å; I43-I221 HydrophobicContact CG2-CB 3.82Å; I43-I221 HydrophobicContact CG2-CD1 4.23Å; I43-I221 HydrophobicContact CG2-CG1 4.41Å; I43-I221 HydrophobicContact CG2-CG2 4.45Å; I43-V247 HydrophobicContact CD1-CB 4.29Å; I43-V247 HydrophobicContact CD1-CG1 3.33Å; I43-V247 HydrophobicContact CD1-CG2 4.02Å; I43-Y265 HydrophobicContact CB-CE1 4.41Å; I43-Y265 HydrophobicContact CB-CE2 4.43Å; I43-Y265 HydrophobicContact CD1-CD1 3.86Å; I43-Y265 HydrophobicContact CD1-CE1 4.27Å; I43-Y265 HydrophobicContact CD1-CG 4.18Å; I43-Y265 HydrophobicContact CG1-CD1 4.33Å; I43-Y265 HydrophobicContact CG1-CD2 4.5Å; I43-Y265 HydrophobicContact CG1-CG 4.28Å; I43-V267 HydrophobicContact CD1-CG2 4.44Å
44Q90.6Very high85Confident29 Ų2943.1 Ų43.114%0.13625%0.245CC..Hα-helixtrans-58.1-46.2177.6-170.8-177.43.600110.7S40 E41 C46 V47 R48 I221 S225 E228 A229S40-Q44 WeakPolarHBondContact O-CB 3.39Å; S40-Q44 PolarHBondContact O-N 2.85Å; E41-Q44 PolarHBondContact O-N 2.94Å; Q44-C46 VanDerWaalsContact C-N 3.34Å; Q44-C46 PolarHBondContact O-N 3.32Å; Q44-V47 PolarHBondContact O-N 3.02Å; Q44-R48 WeakPolarHBondContact O-CB 3.23Å; Q44-R48 PolarHBondContact O-N 3.47Å; Q44-I221 HydrophobicContact CB-CD1 4.36Å; Q44-S225 PolarHBondContact NE2-O 2.96Å; Q44-E228 PolarHBondContact NE2-OE2 3.36Å; Q44-A229 HydrophobicContact CG-CB 3.89Å
45D88.8Confident85.8Confident35 Ų3537 Ų3719%0.18722%0.219CC..Hα-helixtrans-62-39175.8-10324.5000113.5K32 E41 E42 I43 R48 A49K32-D45 VanDerWaalsContact NZ-CB 3.33Å; K32-D45 IonicContact NZ-OD2 2.81Å; K32-D45 PolarHBondContact NZ-OD2 2.92Å; E41-D45 WeakPolarHBondContact O-CB 3.47Å; E41-D45 PolarHBondContact O-N 2.97Å; E42-D45 PolarHBondContact O-N 3.19Å; I43-D45 VanDerWaalsContact C-N 3.29Å; I43-D45 PolarHBondContact O-N 3.19Å; D45-R48 IonicContact OD1-NH1 3.51Å; D45-R48 PolarHBondContact OD1-NH1 2.87Å; D45-A49 VanDerWaalsContact O-CB 3.22Å; D45-A49 WeakPolarHBondContact O-CB 3.39Å; D45-A49 PolarHBondContact O-N 2.97Å
46C89.5Confident86.6Confident12 Ų1235 Ų358%0.08121%0.21CC..Hα-helixtrans-71.9-40180-700000111.6T22 L25 E42 I43 Q44 T50T22-C46 HydrophobicContact CG2-CB 3.7Å; L25-C46 HydrophobicContact CD2-CB 4.32Å; L25-C46 WeakPolarHBondContact CD2-SG 3.34Å; E42-C46 WeakPolarHBondContact O-CB 3.15Å; E42-C46 PolarHBondContact O-N 3.2Å; E42-C46 PolarHBondContact O-SG 3.05Å; I43-C46 PolarHBondContact O-N 3.27Å; I43-C46 VanDerWaalsContact O-N 3.12Å; Q44-C46 VanDerWaalsContact C-N 3.34Å; Q44-C46 PolarHBondContact O-N 3.32Å; C46-T50 WeakPolarHBondContact O-CB 3.46Å; C46-T50 PolarHBondContact O-N 3.41Å; C46-T50 PolarHBondContact O-OG1 2.85Å
47V90Very high86.9Confident0 Ų037.8 Ų37.80%023%0.226CC..Hα-helixtrans-60.1-53.7173.1166.30000109.8L20 I43 Q44 A49 T50 L51 F226 A229 V267L20-V47 HydrophobicContact CD1-CB 4.37Å; L20-V47 HydrophobicContact CD1-CG1 3.76Å; L20-V47 HydrophobicContact CD1-CG2 4.06Å; I43-V47 HydrophobicContact CG1-CG2 4.22Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 2.76Å; Q44-V47 PolarHBondContact O-N 3.02Å; V47-A49 PolarHBondContact O-N 3.17Å; V47-T50 PolarHBondContact O-N 3.09Å; V47-L51 HydrophobicContact CG1-CD1 3.85Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.18Å; V47-F226 HydrophobicContact CG1-CD2 4.19Å; V47-F226 HydrophobicContact CG1-CE2 4Å; V47-A229 HydrophobicContact CB-CB 4.27Å; V47-A229 HydrophobicContact CG1-CB 3.82Å; V47-V267 HydrophobicContact CG2-CG2 4.24Å
48R88.9Confident87Confident60 Ų6033.6 Ų33.623%0.22620%0.196CC..Hα-helixtrans-56-51.7179.3-172.6-166.7-62115.8-3.5111.7Q44 D45 T50 L51 S52 A229 E232Q44-R48 WeakPolarHBondContact O-CB 3.23Å; Q44-R48 PolarHBondContact O-N 3.47Å; D45-R48 IonicContact OD1-NH1 3.51Å; D45-R48 PolarHBondContact OD1-NH1 2.87Å; R48-T50 VanDerWaalsContact C-N 3.31Å; R48-T50 PolarHBondContact O-N 3.25Å; R48-L51 PolarHBondContact O-N 3.28Å; R48-S52 WeakPolarHBondContact O-CB 3.37Å; R48-S52 PolarHBondContact O-N 2.7Å; R48-S52 PolarHBondContact O-OG 2.9Å; R48-S52 VanDerWaalsContact O-OG 3.14Å; R48-A229 HydrophobicContact CB-CB 4.28Å; R48-E232 IonicContact CZ-OE2 2.73Å; R48-E232 IonicContact NE-OE2 3.07Å; R48-E232 PolarHBondContact NE-OE2 2.87Å; R48-E232 IonicContact NH2-OE2 2.77Å; R48-E232 PolarHBondContact NH2-OE2 3.46Å
49A87.6Confident86.1Confident35 Ų3536 Ų3629%0.28921%0.21SC..Hα-helixtrans-62.6-39.5-178.900000112.1D45 V47 E53D45-A49 VanDerWaalsContact O-CB 3.22Å; D45-A49 WeakPolarHBondContact O-CB 3.39Å; D45-A49 PolarHBondContact O-N 2.97Å; V47-A49 PolarHBondContact O-N 3.17Å; A49-E53 WeakPolarHBondContact O-CB 3.37Å; A49-E53 PolarHBondContact O-N 2.79Å
50T89.4Confident85.1Confident0 Ų038.5 Ų38.50%023%0.227CC..Hα-helixtrans-67.3-44-179.5-59.50000111.3H21 R28 C46 V47 R48 W54 I75H21-T50 WeakPolarHBondContact O-CG2 3.38Å; R28-T50 PolarHBondContact NH1-OG1 3.35Å; R28-T50 VanDerWaalsContact NH1-OG1 3.11Å; C46-T50 WeakPolarHBondContact O-CB 3.46Å; C46-T50 PolarHBondContact O-N 3.41Å; C46-T50 PolarHBondContact O-OG1 2.85Å; V47-T50 PolarHBondContact O-N 3.09Å; R48-T50 VanDerWaalsContact C-N 3.31Å; R48-T50 PolarHBondContact O-N 3.25Å; T50-W54 WeakPolarHBondContact O-CB 3.42Å; T50-W54 PolarHBondContact O-N 3.45Å; T50-I75 HydrophobicContact CG2-CD1 3.74Å; T50-I75 HydrophobicContact CG2-CG1 4.21Å
51L87.8Confident83.9Confident0 Ų039.4 Ų39.40%023%0.232CC..Hα-helixtrans-63.5-47.9176.2-75.8170000111.8L20 V47 R48 E53 W54 F55 C73 V230 S233L20-L51 HydrophobicContact CD1-CD1 4.5Å; L20-L51 HydrophobicContact CD1-CG 4.5Å; L20-L51 HydrophobicContact CD2-CD2 3.61Å; L20-L51 HydrophobicContact CD2-CG 4.1Å; V47-L51 HydrophobicContact CG1-CD1 3.85Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.18Å; R48-L51 PolarHBondContact O-N 3.28Å; L51-E53 PolarHBondContact O-N 2.85Å; L51-W54 PolarHBondContact O-N 2.94Å; L51-F55 HydrophobicContact CB-CD2 4.48Å; L51-F55 HydrophobicContact CB-CE2 3.94Å; L51-F55 HydrophobicContact CB-CZ 4.42Å; L51-F55 HydrophobicContact CD2-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CZ 4.07Å; L51-F55 WeakPolarHBondContact O-CD2 3.43Å; L51-F55 WeakPolarHBondContact O-CG 3.43Å; L51-F55 PolarHBondContact O-N 3.27Å; L51-C73 HydrophobicContact CD2-CB 4.49Å; L51-V230 HydrophobicContact CD1-CB 4.23Å; L51-V230 HydrophobicContact CD1-CG1 4.26Å; L51-V230 HydrophobicContact CD1-CG2 3.87Å; L51-S233 WeakPolarHBondContact CB-OG 3.4Å
52S86.1Confident82.6Confident53 Ų5344.7 Ų44.737%0.37127%0.267SS..Hα-helixtrans-60.9-43.7179.1-67.50000113R48 A56R48-S52 WeakPolarHBondContact O-CB 3.37Å; R48-S52 PolarHBondContact O-N 2.7Å; R48-S52 PolarHBondContact O-OG 2.9Å; R48-S52 VanDerWaalsContact O-OG 3.14Å; S52-A56 PolarHBondContact O-N 3.32Å
53E86.5Confident81.3Confident85 Ų8545.1 Ų45.140%0.39727%0.273SS..Hα-helixtrans-67.2-43.3176.2-175.8172.2173.600110.9R28 A49 L51 F55 A56 T57 I75R28-E53 IonicContact CZ-OE2 2.75Å; R28-E53 IonicContact NH2-OE2 2.65Å; R28-E53 PolarHBondContact NH2-OE2 3.21Å; A49-E53 WeakPolarHBondContact O-CB 3.37Å; A49-E53 PolarHBondContact O-N 2.79Å; L51-E53 PolarHBondContact O-N 2.85Å; E53-F55 PolarHBondContact O-N 3Å; E53-A56 WeakPolarHBondContact O-CB 3.46Å; E53-A56 PolarHBondContact O-N 2.97Å; E53-T57 WeakPolarHBondContact O-CG2 3.49Å; E53-T57 PolarHBondContact O-N 3.35Å; E53-I75 HydrophobicContact CB-CD1 3.74Å; E53-I75 HydrophobicContact CG-CD1 3.87Å; E53-I75 HydrophobicContact CG-CG1 4.43Å; E53-I75 WeakPolarHBondContact OE1-CG2 3.25Å; E53-I75 WeakPolarHBondContact OE2-CD1 3.23Å
54W86.6Confident80Confident36 Ų3650.6 Ų50.614%0.13631%0.309CS..Hα-helixtrans-59.4-47.8176.3-175.871.8000111.5L11 T50 L51 A56 T57 I58 I71 C73L11-W54 HydrophobicContact CD1-CH2 4.34Å; T50-W54 WeakPolarHBondContact O-CB 3.42Å; T50-W54 PolarHBondContact O-N 3.45Å; L51-W54 PolarHBondContact O-N 2.94Å; W54-A56 PolarHBondContact O-N 3.44Å; W54-T57 WeakPolarHBondContact O-CA 3.45Å; W54-T57 PolarHBondContact O-N 2.89Å; W54-T57 PolarHBondContact O-OG1 2.89Å; W54-I58 HydrophobicContact CD2-CD1 3.52Å; W54-I58 HydrophobicContact CD2-CG1 3.93Å; W54-I58 HydrophobicContact CE3-CD1 3.33Å; W54-I58 HydrophobicContact CE3-CG1 4.25Å; W54-I58 HydrophobicContact CG-CD1 4.42Å; W54-I58 HydrophobicContact CG-CG1 4.49Å; W54-I58 HydrophobicContact CH2-CD1 3.26Å; W54-I58 HydrophobicContact CH2-CG1 4.06Å; W54-I58 HydrophobicContact CZ2-CD1 3.48Å; W54-I58 VanDerWaalsContact CZ2-CD1 3.48Å; W54-I58 HydrophobicContact CZ2-CG1 3.75Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 HydrophobicContact CZ3-CG1 4.32Å; W54-I58 WeakPolarHBondContact O-CG1 3.3Å; W54-I58 PolarHBondContact O-N 3.36Å; W54-I71 HydrophobicContact CE3-CG2 4.5Å; W54-I71 HydrophobicContact CH2-CB 4.43Å; W54-I71 HydrophobicContact CH2-CD1 4.49Å; W54-I71 HydrophobicContact CH2-CG1 4.45Å; W54-I71 HydrophobicContact CH2-CG2 3.2Å; W54-I71 HydrophobicContact CZ2-CG2 3.72Å; W54-I71 HydrophobicContact CZ3-CG2 3.64Å; W54-C73 HydrophobicContact CB-CB 4.2Å; W54-C73 HydrophobicContact CD2-CB 3.84Å; W54-C73 HydrophobicContact CE3-CB 4.15Å; W54-C73 HydrophobicContact CG-CB 3.82Å; W54-C73 VanDerWaalsContact CZ3-SG 3.55Å
55F82.8Confident78.6Confident12 Ų1255.6 Ų55.65%0.05334%0.342CS..Hα-helixtrans-58.9-33.4177.4-65.2-41.1000114A8 L12 L51 E53 T57 I58 S233 T234A8-F55 HydrophobicContact CB-CB 4.2Å; A8-F55 HydrophobicContact CB-CD1 3.17Å; A8-F55 HydrophobicContact CB-CD2 4.35Å; A8-F55 HydrophobicContact CB-CE1 3.5Å; A8-F55 HydrophobicContact CB-CG 3.68Å; A8-F55 HydrophobicContact CB-CZ 4.26Å; L12-F55 HydrophobicContact CD1-CE1 4.09Å; L12-F55 HydrophobicContact CD1-CZ 3.53Å; L12-F55 HydrophobicContact CG-CE1 4.29Å; L12-F55 HydrophobicContact CG-CZ 4.18Å; L51-F55 HydrophobicContact CB-CD2 4.48Å; L51-F55 HydrophobicContact CB-CE2 3.94Å; L51-F55 HydrophobicContact CB-CZ 4.42Å; L51-F55 HydrophobicContact CD2-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CZ 4.07Å; L51-F55 WeakPolarHBondContact O-CD2 3.43Å; L51-F55 WeakPolarHBondContact O-CG 3.43Å; L51-F55 PolarHBondContact O-N 3.27Å; E53-F55 PolarHBondContact O-N 3Å; F55-T57 PolarHBondContact O-N 2.88Å; F55-I58 HydrophobicContact CD1-CD1 3.74Å; F55-I58 HydrophobicContact CE1-CD1 4.48Å; F55-S233 WeakPolarHBondContact CD2-O 3.32Å; F55-S233 WeakPolarHBondContact CE2-OG 3.41Å; F55-T234 HydrophobicContact CE2-CG2 3.62Å; F55-T234 HydrophobicContact CZ-CG2 3.88Å
56A82Confident77.8Confident68 Ų6860.4 Ų60.456%0.56237%0.367SS*.Hα-helixtrans-68.7-21.817500000112.8S52 E53 W54S52-A56 PolarHBondContact O-N 3.32Å; E53-A56 WeakPolarHBondContact O-CB 3.46Å; E53-A56 PolarHBondContact O-N 2.97Å; W54-A56 PolarHBondContact O-N 3.44Å
57T80.7Confident77.4Confident93 Ų9361.1 Ų61.157%0.57137%0.37SS*.Hα-helixtrans-96.4-16.4-178.265.20000114.4E53 W54 F55 P59E53-T57 WeakPolarHBondContact O-CG2 3.49Å; E53-T57 PolarHBondContact O-N 3.35Å; W54-T57 WeakPolarHBondContact O-CA 3.45Å; W54-T57 PolarHBondContact O-N 2.89Å; W54-T57 PolarHBondContact O-OG1 2.89Å; F55-T57 PolarHBondContact O-N 2.88Å; T57-P59 WeakPolarHBondContact O-CD 3.11Å
58I76Confident77.2Confident16 Ų1664.1 Ų64.18%0.08239%0.39CS..PPolyproline II helixtrans-73126.3-175.8-63.7159.2000110.5H4 L11 W54 F55H4-I58 PolarHBondContact ND1-O 2.81Å; H4-I58 VanDerWaalsContact ND1-O 3.13Å; L11-I58 HydrophobicContact CD1-CD1 4.2Å; L11-I58 HydrophobicContact CD1-CG2 3.77Å; W54-I58 HydrophobicContact CD2-CD1 3.52Å; W54-I58 HydrophobicContact CD2-CG1 3.93Å; W54-I58 HydrophobicContact CE3-CD1 3.33Å; W54-I58 HydrophobicContact CE3-CG1 4.25Å; W54-I58 HydrophobicContact CG-CD1 4.42Å; W54-I58 HydrophobicContact CG-CG1 4.49Å; W54-I58 HydrophobicContact CH2-CD1 3.26Å; W54-I58 HydrophobicContact CH2-CG1 4.06Å; W54-I58 HydrophobicContact CZ2-CD1 3.48Å; W54-I58 VanDerWaalsContact CZ2-CD1 3.48Å; W54-I58 HydrophobicContact CZ2-CG1 3.75Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 HydrophobicContact CZ3-CG1 4.32Å; W54-I58 WeakPolarHBondContact O-CG1 3.3Å; W54-I58 PolarHBondContact O-N 3.36Å; F55-I58 HydrophobicContact CD1-CD1 3.74Å; F55-I58 HydrophobicContact CE1-CD1 4.48Å
59P67.1Low77.2Confident98 Ų9865.8 Ų65.864%0.63640%0.403SS*.PPolyproline II helixtrans-68.6145.2168.528.6-31.9000110.1T57T57-P59 WeakPolarHBondContact O-CD 3.11Å
60P66.9Low77.2Confident72 Ų7267 Ų6747%0.46841%0.407SS..PPolyproline II helixtrans-58.1141176.422.7-31000111S7 T62S7-P60 VanDerWaalsContact OG-CA 3.32Å; S7-P60 WeakPolarHBondContact OG-CA 3.48Å; S7-P60 WeakPolarHBondContact OG-CB 3.45Å; P60-T62 PolarHBondContact O-N 2.77Å
61P64.7Low77.2Confident52 Ų5267.2 Ų67.234%0.33841%0.408SS..PPolyproline II helixtrans-59127.8-176.821.5-30.9000110.2S7 S63 L67S7-P61 WeakPolarHBondContact OG-CD 3.49Å; P61-S63 VanDerWaalsContact C-N 3.28Å; P61-S63 PolarHBondContact O-N 2.85Å; P61-L67 HydrophobicContact CB-CD2 4.29Å
62T61.3Low77.3Confident151 Ų15171.7 Ų71.793%0.92643%0.432SS*.SBendtrans-72.2-21.5-178.330.10000112.8P60P60-T62 PolarHBondContact O-N 2.77Å
63S62.9Low77.4Confident39 Ų3969.2 Ų69.227%0.27342%0.415SS..  trans-149.1149.2170.781.40000111.7P61 T65 D66P61-S63 VanDerWaalsContact C-N 3.28Å; P61-S63 PolarHBondContact O-N 2.85Å; S63-T65 PolarHBondContact O-N 3.47Å; S63-D66 PolarHBondContact OG-N 2.89Å
64P63.5Low77.3Confident117 Ų11767.6 Ų67.676%0.7641%0.413SS*.THydrogen-bonded Turntrans-75.30.4176.228.9-33.2000114.1
65T62.4Low76.7Confident133 Ų13366.1 Ų66.182%0.81641%0.407SS*.THydrogen-bonded Turntrans-110.8-5.4-174.226.50000114.3S63S63-T65 PolarHBondContact O-N 3.47Å
66D70.5Confident76.1Confident136 Ų13669.6 Ų69.673%0.72743%0.431SS*.  trans-120.761.4-178.4-161.916.8000110.1S63S63-D66 PolarHBondContact OG-N 2.89Å
67L81.3Confident75.4Confident27 Ų2774.2 Ų74.214%0.14144%0.441CS..  trans-100.5131.9178-65.2169.1000108.9V10 L11 H14 P61V10-L67 HydrophobicContact CG1-CD1 3.52Å; V10-L67 HydrophobicContact CG1-CD2 3.83Å; V10-L67 HydrophobicContact CG1-CG 4.35Å; L11-L67 HydrophobicContact CD2-CD2 3.75Å; L11-L67 HydrophobicContact CG-CD2 4.48Å; H14-L67 HydrophobicContact CB-CB 3.93Å; H14-L67 HydrophobicContact CB-CD1 3.91Å; H14-L67 HydrophobicContact CB-CG 4.49Å; H14-L67 PolarHBondContact CE1-O 2.91Å; H14-L67 VanDerWaalsContact CG-CB 3.41Å; H14-L67 WeakPolarHBondContact ND1-CB 3.21Å; H14-L67 PolarHBondContact ND1-O 3.33Å; P61-L67 HydrophobicContact CB-CD2 4.29Å
68P86Confident74.9Confident63 Ų6370.7 Ų70.741%0.40942%0.421SS..  trans-75.1147-178.931.5-35.7000111.6L11 H14 T70L11-P68 HydrophobicContact CD2-CG 4.23Å; H14-P68 PolarHBondContact ND1-O 3.32Å; P68-T70 VanDerWaalsContact C-N 3.31Å; P68-T70 WeakPolarHBondContact CB-O 3.27Å
69D88.2Confident74.8Confident96 Ų9671.3 Ų71.351%0.51343%0.426SS..SBendtrans-75.1-25.4170.8-68.2-34.1000112.1H14 A15 T16 T17H14-D69 IonicContact CE1-OD1 2.58Å; H14-D69 PolarHBondContact CE1-OD1 3.36Å; H14-D69 IonicContact ND1-OD1 2.73Å; A15-D69 CarbonylContact C-O 3.59Å; A15-D69 WeakPolarHBondContact CA-O 3.44Å; A15-D69 WeakPolarHBondContact CB-O 3.15Å; T16-D69 PolarHBondContact N-O 2.87Å; T16-D69 PolarHBondContact OG1-O 3.16Å; T17-D69 PolarHBondContact N-O 2.66Å
70T89.3Confident75.4Confident60 Ų6069.8 Ų69.837%0.36841%0.411SS..EExtended strand (participates in β ladder)trans-116.1127.7178.9-60.50000110.3T17 N19 P68T17-T70 HydrophobicContact CG2-CG2 4.01Å; T17-T70 WeakPolarHBondContact O-CA 3.27Å; N19-T70 WeakPolarHBondContact ND2-CG2 3.4Å; P68-T70 VanDerWaalsContact C-N 3.31Å; P68-T70 WeakPolarHBondContact CB-O 3.27Å
71I89.6Confident76.4Confident5 Ų570.4 Ų70.43%0.02641%0.413CS..EExtended strand (participates in β ladder)trans-105.7125.2172.7-69.7170.4000109.2L11 L12 A15 T17 L18 N19 W54 C73L11-I71 HydrophobicContact CB-CD1 3.88Å; L12-I71 HydrophobicContact CD2-CD1 3.99Å; A15-I71 HydrophobicContact CB-CB 4.47Å; A15-I71 HydrophobicContact CB-CD1 3.37Å; A15-I71 HydrophobicContact CB-CG1 3.6Å; T17-I71 PolarHBondContact O-N 3.27Å; L18-I71 HydrophobicContact CD1-CB 4.03Å; L18-I71 HydrophobicContact CD1-CG2 3.75Å; N19-I71 PolarHBondContact N-O 3.21Å; W54-I71 HydrophobicContact CE3-CG2 4.5Å; W54-I71 HydrophobicContact CH2-CB 4.43Å; W54-I71 HydrophobicContact CH2-CD1 4.49Å; W54-I71 HydrophobicContact CH2-CG1 4.45Å; W54-I71 HydrophobicContact CH2-CG2 3.2Å; W54-I71 HydrophobicContact CZ2-CG2 3.72Å; W54-I71 HydrophobicContact CZ3-CG2 3.64Å; I71-C73 WeakPolarHBondContact CG2-SG 3.39Å
72D89.4Confident77.7Confident93 Ų9368.4 Ų68.450%0.49740%0.399SS..EExtended strand (participates in β ladder)trans-10699.7171-63.8-65000110.1N19 S74N19-D72 VanDerWaalsContact CB-OD1 3.23Å; N19-D72 WeakPolarHBondContact CB-OD1 3.45Å; N19-D72 PolarHBondContact ND2-OD1 2.73Å; D72-S74 PolarHBondContact O-N 3.09Å
73C88.6Confident79.2Confident1 Ų164 Ų641%0.00737%0.372CS..EExtended strand (participates in β ladder)trans-89.299.8172.6-470000109.3L18 N19 L20 H21 L51 W54 I71L18-C73 VanDerWaalsContact CD1-SG 3.59Å; N19-C73 PolarHBondContact O-N 3.49Å; L20-C73 CarbonylContact C-O 3.54Å; L20-C73 WeakPolarHBondContact CA-O 3.35Å; L20-C73 HydrophobicContact CD2-CB 3.42Å; L20-C73 VanDerWaalsContact CD2-CB 3.42Å; L20-C73 VanDerWaalsContact CD2-SG 3.56Å; H21-C73 PolarHBondContact N-O 2.93Å; L51-C73 HydrophobicContact CD2-CB 4.49Å; W54-C73 HydrophobicContact CB-CB 4.2Å; W54-C73 HydrophobicContact CD2-CB 3.84Å; W54-C73 HydrophobicContact CE3-CB 4.15Å; W54-C73 HydrophobicContact CG-CB 3.82Å; W54-C73 VanDerWaalsContact CZ3-SG 3.55Å; I71-C73 WeakPolarHBondContact CG2-SG 3.39Å
74S83.6Confident80.6Confident51 Ų5167.2 Ų67.236%0.35739%0.392SS..EExtended strand (participates in β ladder)trans-122.9157.8171.364.70000109.9D72 P76D72-S74 PolarHBondContact O-N 3.09Å; S74-P76 WeakPolarHBondContact O-CD 3.5Å
75I73.5Confident82Confident5 Ų568.7 Ų68.73%0.02639%0.389CS..  trans-120.389.9175.6-62.8170000106.1T50 E53 Q77 A78 T79T50-I75 HydrophobicContact CG2-CD1 3.74Å; T50-I75 HydrophobicContact CG2-CG1 4.21Å; E53-I75 HydrophobicContact CB-CD1 3.74Å; E53-I75 HydrophobicContact CG-CD1 3.87Å; E53-I75 HydrophobicContact CG-CG1 4.43Å; E53-I75 WeakPolarHBondContact OE1-CG2 3.25Å; E53-I75 WeakPolarHBondContact OE2-CD1 3.23Å; I75-Q77 PolarHBondContact O-N 3.47Å; I75-A78 HydrophobicContact CB-CB 4.11Å; I75-A78 HydrophobicContact CG2-CB 3.66Å; I75-A78 PolarHBondContact O-N 3.05Å; I75-T79 PolarHBondContact O-N 3.28Å; I75-T79 PolarHBondContact O-OG1 2.96Å; I75-T79 VanDerWaalsContact O-OG1 3.07Å
76P70.1Confident83.5Confident85 Ų8564.3 Ų64.355%0.55236%0.359SS*.G310 helixtrans-56.7-37.9-171.9-27.435.4000112.4S74 A78 T79S74-P76 WeakPolarHBondContact O-CD 3.5Å; P76-A78 PolarHBondContact O-N 3.26Å; P76-T79 PolarHBondContact O-N 2.79Å
77Q68.1Low84.7Confident165 Ų16559.8 Ų59.877%0.77133%0.332SS*.G310 helixtrans-67.5-22.3179.8-57.181.35.100113I75I75-Q77 PolarHBondContact O-N 3.47Å
78A70.1Confident85.3Confident19 Ų1966.3 Ų66.316%0.15736%0.362CS..G310 helixtrans-92.7-7.1176.200000112.3N24 I75 P76N24-A78 WeakPolarHBondContact CB-O 3.05Å; N24-A78 PolarHBondContact N-O 3.05Å; I75-A78 HydrophobicContact CB-CB 4.11Å; I75-A78 HydrophobicContact CG2-CB 3.66Å; I75-A78 PolarHBondContact O-N 3.05Å; P76-A78 PolarHBondContact O-N 3.26Å
79T73.8Confident85.8Confident29 Ų2969.1 Ų69.118%0.17837%0.369CS..  trans-98.3121.2-174.8-59.70000110.3H21 I75 P76H21-T79 WeakPolarHBondContact CE1-CG2 3.26Å; H21-T79 PolarHBondContact CE1-OG1 3.48Å; I75-T79 PolarHBondContact O-N 3.28Å; I75-T79 PolarHBondContact O-OG1 2.96Å; I75-T79 VanDerWaalsContact O-OG1 3.07Å; P76-T79 PolarHBondContact O-N 2.79Å
80E80Confident86.2Confident67 Ų6764.8 Ų64.831%0.31335%0.346SS..  trans-97.9108176.6-165.1172.118000108.5N24 K261N24-E80 PolarHBondContact ND2-OE2 2.83Å; E80-K261 WeakPolarHBondContact OE1-CE 3.47Å; E80-K261 IonicContact OE1-NZ 3.63Å; E80-K261 PolarHBondContact OE1-NZ 3.46Å
81V88.6Confident86.6Confident85 Ų8565.7 Ų65.752%0.51535%0.345SS..PPolyproline II helixtrans-78.6141.1175.1-65.20000109.8A118V81-A118 HydrophobicContact CB-CB 4.03Å; V81-A118 HydrophobicContact CG1-CB 4.35Å
82I92.1Very high87Confident9 Ų965.5 Ų65.55%0.04634%0.344CS..PPolyproline II helixtrans-81.5126.9178.1-66.3170.3000108.5E86 R87 L90 V92 L117 V119 I252I82-E86 HydrophobicContact CG2-CG 4.07Å; I82-R87 HydrophobicContact CG2-CB 3.92Å; I82-L90 HydrophobicContact CB-CD1 4.45Å; I82-L90 HydrophobicContact CD1-CD1 4.08Å; I82-L90 HydrophobicContact CG1-CD1 3.89Å; I82-L90 HydrophobicContact CG2-CD1 3.83Å; I82-V92 HydrophobicContact CD1-CG2 3.47Å; I82-V92 VanDerWaalsContact CD1-CG2 3.47Å; I82-L117 WeakPolarHBondContact CB-O 3.5Å; I82-L117 PolarHBondContact N-O 3.22Å; I82-L117 VanDerWaalsContact N-O 3.15Å; I82-V119 HydrophobicContact CB-CG1 3.96Å; I82-V119 HydrophobicContact CD1-CG1 3.63Å; I82-V119 HydrophobicContact CG1-CG1 4.35Å; I82-V119 HydrophobicContact CG2-CG1 4.16Å; I82-I252 HydrophobicContact CD1-CD1 3.77Å; I82-I252 HydrophobicContact CD1-CG1 4.25Å; I82-I252 HydrophobicContact CD1-CG2 4.28Å; I82-I252 HydrophobicContact CG1-CD1 4.26Å
83T92.9Very high87.4Confident58 Ų5862.1 Ų62.136%0.35633%0.328SS..PPolyproline II helixtrans-81.7152.7173.384.50000110.8E85 E86 R87T83-E85 WeakPolarHBondContact CB-OE2 3.06Å; T83-E85 PolarHBondContact O-N 3.11Å; T83-E85 PolarHBondContact OG1-OE2 2.99Å; T83-E86 WeakPolarHBondContact O-CG 3.44Å; T83-E86 PolarHBondContact O-N 2.88Å; T83-R87 PolarHBondContact O-N 2.94Å; T83-R87 VanDerWaalsContact O-N 3.11Å
84P92.1Very high87.8Confident107 Ų10762.3 Ų62.370%0.69533%0.329SS*.Hα-helixtrans-55.1-35.4177-27.136.2000113.4E86 R87P84-E86 PolarHBondContact O-N 2.91Å; P84-R87 PolarHBondContact O-N 2.81Å
85E92.6Very high88.5Confident148 Ų14860.3 Ų60.369%0.69231%0.313SS*.Hα-helixtrans-67.5-34.9-177-57.672.5-154.100112.4T83T83-E85 WeakPolarHBondContact CB-OE2 3.06Å; T83-E85 PolarHBondContact O-N 3.11Å; T83-E85 PolarHBondContact OG1-OE2 2.99Å
86E93.7Very high89.5Confident42 Ų4260.1 Ų60.120%0.19631%0.313CS..Hα-helixtrans-93.8-14.9-179.967.9173.1-164.300113.6I82 T83 P84 E88 E89 L90 K261I82-E86 HydrophobicContact CG2-CG 4.07Å; T83-E86 WeakPolarHBondContact O-CG 3.44Å; T83-E86 PolarHBondContact O-N 2.88Å; P84-E86 PolarHBondContact O-N 2.91Å; E86-E88 PolarHBondContact O-N 2.83Å; E86-E88 VanDerWaalsContact O-N 3.12Å; E86-E89 WeakPolarHBondContact O-CB 3.44Å; E86-E89 PolarHBondContact O-N 3.03Å; E86-L90 HydrophobicContact CB-CD1 4.49Å; E86-L90 HydrophobicContact CG-CD1 3.92Å; E86-L90 WeakPolarHBondContact O-CG 3.28Å; E86-L90 PolarHBondContact O-N 2.93Å; E86-K261 IonicContact OE1-NZ 3.26Å; E86-K261 PolarHBondContact OE1-NZ 2.93Å; E86-K261 IonicContact OE2-NZ 3.02Å; E86-K261 PolarHBondContact OE2-NZ 2.78Å
87R95.4Very high90.6Very high40 Ų4056.9 Ų56.915%0.15129%0.29CS..Hα-helixtrans-52.7-39.5-174.7173.958.1-17296.7-2.5113I82 T83 P84 E89 L90 Q121 D123I82-R87 HydrophobicContact CG2-CB 3.92Å; T83-R87 PolarHBondContact O-N 2.94Å; T83-R87 VanDerWaalsContact O-N 3.11Å; P84-R87 PolarHBondContact O-N 2.81Å; R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 PolarHBondContact O-N 2.91Å; R87-L90 PolarHBondContact NH1-O 3.46Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-Q121 PolarHBondContact NH2-O 2.92Å; R87-D123 IonicContact CZ-OD1 3.19Å; R87-D123 IonicContact CZ-OD2 2.77Å; R87-D123 IonicContact NH1-OD1 2.87Å; R87-D123 PolarHBondContact NH1-OD1 3.33Å; R87-D123 IonicContact NH1-OD2 2.66Å; R87-D123 PolarHBondContact NH1-OD2 3.15Å; R87-D123 IonicContact NH2-OD1 2.93Å; R87-D123 PolarHBondContact NH2-OD1 3.17Å; R87-D123 IonicContact NH2-OD2 3.16Å; R87-D123 PolarHBondContact NH2-OD2 2.75Å; R87-D123 VanDerWaalsContact NH2-OD2 3.11Å
88E94.4Very high91.6Very high165 Ų16550 Ų5077%0.77126%0.258SS*.THydrogen-bonded Turntrans-65.4-31.9-179.4-65.5-170.6168.200112.4E86 L90 K255E86-E88 PolarHBondContact O-N 2.83Å; E86-E88 VanDerWaalsContact O-N 3.12Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.95Å; E88-K255 WeakPolarHBondContact O-CD 3.36Å; E88-K255 PolarHBondContact O-NZ 2.88Å
89E95.7Very high92.1Very high122 Ų12251.5 Ų51.557%0.5727%0.267SS*.THydrogen-bonded Turntrans-80.6-12.2179-56.4-170.9174.700113.1E86 R87 K255E86-E89 WeakPolarHBondContact O-CB 3.44Å; E86-E89 PolarHBondContact O-N 3.03Å; R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 PolarHBondContact O-N 2.91Å; E89-K255 VanDerWaalsContact O-CB 3.31Å; E89-K255 WeakPolarHBondContact O-CB 3.31Å; E89-K255 WeakPolarHBondContact O-CG 3.49Å; E89-K255 PolarHBondContact O-N 2.91Å
90L96.9Very high92Very high4 Ų453.7 Ų53.72%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-102.9143.5-175-61.1178.5000111.9I82 E86 R87 E88 I252 I253 V254 K255 K261I82-L90 HydrophobicContact CB-CD1 4.45Å; I82-L90 HydrophobicContact CD1-CD1 4.08Å; I82-L90 HydrophobicContact CG1-CD1 3.89Å; I82-L90 HydrophobicContact CG2-CD1 3.83Å; E86-L90 HydrophobicContact CB-CD1 4.49Å; E86-L90 HydrophobicContact CG-CD1 3.92Å; E86-L90 WeakPolarHBondContact O-CG 3.28Å; E86-L90 PolarHBondContact O-N 2.93Å; R87-L90 PolarHBondContact NH1-O 3.46Å; R87-L90 PolarHBondContact O-N 2.96Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.95Å; L90-I252 HydrophobicContact CB-CG2 4.14Å; L90-I252 HydrophobicContact CD1-CG2 3.88Å; L90-I252 HydrophobicContact CD2-CG2 4.02Å; L90-I252 HydrophobicContact CG-CG2 4.22Å; L90-I253 CarbonylContact C-O 3.58Å; L90-I253 WeakPolarHBondContact CA-O 3.36Å; L90-V254 HydrophobicContact CD2-CG2 3.96Å; L90-K255 WeakPolarHBondContact O-CE 3.25Å; L90-K255 PolarHBondContact O-NZ 3.35Å; L90-K255 VanDerWaalsContact O-NZ 3.14Å; L90-K261 HydrophobicContact CD1-CD 4.29Å; L90-K261 HydrophobicContact CD2-CD 3.9Å
91K97.3Very high91.1Very high80 Ų8054.7 Ų54.735%0.34830%0.295SS..EExtended strand (participates in β ladder)trans-106113164.4-177.3177.6180176.80108.6S93 D123 I252 I253 K255K91-S93 WeakPolarHBondContact CE-OG 3.44Å; K91-D123 VanDerWaalsContact CA-OD2 3.27Å; K91-D123 WeakPolarHBondContact CA-OD2 3.44Å; K91-D123 HydrophobicContact CG-CB 4.14Å; K91-I252 CarbonylContact O-C 3.59Å; K91-I252 WeakPolarHBondContact O-CA 3.44Å; K91-I253 HydrophobicContact CB-CB 4.43Å; K91-I253 PolarHBondContact N-O 3.28Å; K91-I253 PolarHBondContact O-N 3.33Å; K91-K255 HydrophobicContact CB-CG 4.14Å
92V97.9Very high90.1Very high0 Ų053.9 Ų53.90%029%0.288CS..EExtended strand (participates in β ladder)trans-101103.2178.5-171.60000108.6I82 L117 V119 L122 D123 S124 I252I82-V92 HydrophobicContact CD1-CG2 3.47Å; I82-V92 VanDerWaalsContact CD1-CG2 3.47Å; V92-L117 HydrophobicContact CG1-CD1 3.69Å; V92-V119 HydrophobicContact CG2-CG1 4.45Å; V92-L122 HydrophobicContact CG1-CD2 3.79Å; V92-D123 PolarHBondContact N-OD2 2.95Å; V92-D123 WeakPolarHBondContact O-CB 3.1Å; V92-D123 PolarHBondContact O-N 2.88Å; V92-S124 PolarHBondContact O-N 2.76Å; V92-I252 HydrophobicContact CG1-CG1 4.31Å; V92-I252 HydrophobicContact CG2-CG1 4.39Å
93S97.8Very high88.7Confident23 Ų2356.6 Ų56.616%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-115140.3-178.3-67.90000110.2K91 S124 Y250 S251K91-S93 WeakPolarHBondContact CE-OG 3.44Å; S93-S124 WeakPolarHBondContact CA-O 3.48Å; S93-S124 WeakPolarHBondContact CB-OG 3.22Å; S93-S124 PolarHBondContact OG-OG 2.91Å; S93-Y250 CarbonylContact O-C 3.51Å; S93-Y250 WeakPolarHBondContact O-CA 3.32Å; S93-S251 PolarHBondContact N-O 3.19Å; S93-S251 PolarHBondContact O-N 3.13Å
94V97.9Very high87.2Confident5 Ų557.3 Ų57.33%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-128.7148.8175.9-48.90000111.3L122 S124 V125 I126 L248 R249V94-L122 HydrophobicContact CG1-CD1 4Å; V94-L122 HydrophobicContact CG1-CD2 4.22Å; V94-L122 HydrophobicContact CG2-CD1 3.79Å; V94-S124 PolarHBondContact N-O 3.44Å; V94-V125 HydrophobicContact CG2-CB 4.04Å; V94-V125 HydrophobicContact CG2-CG1 3.98Å; V94-V125 HydrophobicContact CG2-CG2 3.57Å; V94-V125 WeakPolarHBondContact O-CA 3.19Å; V94-I126 PolarHBondContact O-N 3.29Å; V94-L248 HydrophobicContact CB-CD1 4.34Å; V94-L248 HydrophobicContact CB-CD2 3.81Å; V94-L248 HydrophobicContact CB-CG 4.03Å; V94-L248 HydrophobicContact CG1-CD2 3.82Å; V94-L248 HydrophobicContact CG1-CG 4.49Å; V94-L248 HydrophobicContact CG2-CD1 4.26Å; V94-L248 HydrophobicContact CG2-CG 4.4Å; V94-R249 CarbonylContact C-O 3.56Å; V94-R249 VanDerWaalsContact CA-O 3.22Å; V94-R249 WeakPolarHBondContact CA-O 3.3Å
95K97.3Very high86.5Confident8 Ų852.6 Ų52.64%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-118119.9167.5-174.8169.6-177.7170.70108.5F97 I126 S165 H214 D216 L248 R249K95-F97 HydrophobicContact CB-CE2 4.04Å; K95-F97 HydrophobicContact CB-CZ 4.47Å; K95-F97 HydrophobicContact CD-CE1 4.13Å; K95-F97 HydrophobicContact CD-CE2 3.98Å; K95-F97 HydrophobicContact CD-CZ 3.55Å; K95-F97 HydrophobicContact CG-CD2 4.34Å; K95-F97 HydrophobicContact CG-CE1 4.45Å; K95-F97 HydrophobicContact CG-CE2 3.73Å; K95-F97 HydrophobicContact CG-CZ 3.82Å; K95-I126 CarbonylContact C-O 3.52Å; K95-I126 VanDerWaalsContact CA-O 3.28Å; K95-I126 WeakPolarHBondContact CA-O 3.32Å; K95-I126 HydrophobicContact CB-CB 4.45Å; K95-I126 HydrophobicContact CD-CG2 4.39Å; K95-I126 HydrophobicContact CG-CB 4.26Å; K95-I126 HydrophobicContact CG-CG2 4.2Å; K95-S165 WeakPolarHBondContact CE-OG 3.23Å; K95-S165 PolarHBondContact NZ-OG 2.7Å; K95-H214 PolarHBondContact NZ-CE1 2.76Å; K95-H214 PolarHBondContact NZ-ND1 2.97Å; K95-H214 VanDerWaalsContact NZ-ND1 3.2Å; K95-D216 WeakPolarHBondContact CE-OD2 3.19Å; K95-D216 IonicContact NZ-OD2 3.12Å; K95-D216 PolarHBondContact NZ-OD2 3.32Å; K95-L248 WeakPolarHBondContact O-CA 3.4Å; K95-R249 PolarHBondContact N-O 2.83Å; K95-R249 PolarHBondContact O-N 3.33Å
96L95.4Very high86.4Confident2 Ų245.6 Ų45.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-98.7116.1-179.2-179.562.3000109.3I98 I106 A109 I126 A128 W246 L248L96-I98 HydrophobicContact CG-CG1 4.31Å; L96-I106 HydrophobicContact CD2-CB 4.26Å; L96-I106 HydrophobicContact CD2-CG1 4.01Å; L96-I106 HydrophobicContact CD2-CG2 3.98Å; L96-A109 HydrophobicContact CD1-CB 3.77Å; L96-A109 HydrophobicContact CD2-CB 4.38Å; L96-I126 PolarHBondContact N-O 3.25Å; L96-A128 PolarHBondContact O-N 3.07Å; L96-W246 HydrophobicContact CD1-CB 3.98Å; L96-W246 HydrophobicContact CD1-CD2 4.39Å; L96-W246 HydrophobicContact CD1-CE3 4.24Å; L96-W246 HydrophobicContact CD1-CG 4.35Å; L96-L248 HydrophobicContact CD1-CB 4.05Å; L96-L248 HydrophobicContact CD1-CD1 4.44Å
97F93.4Very high86.4Confident17 Ų1748.6 Ų48.68%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-97.3113.7174.2-58.3-98.1000108K95 A128 D216 L220 W246 V247 R249K95-F97 HydrophobicContact CB-CE2 4.04Å; K95-F97 HydrophobicContact CB-CZ 4.47Å; K95-F97 HydrophobicContact CD-CE1 4.13Å; K95-F97 HydrophobicContact CD-CE2 3.98Å; K95-F97 HydrophobicContact CD-CZ 3.55Å; K95-F97 HydrophobicContact CG-CD2 4.34Å; K95-F97 HydrophobicContact CG-CE1 4.45Å; K95-F97 HydrophobicContact CG-CE2 3.73Å; K95-F97 HydrophobicContact CG-CZ 3.82Å; F97-A128 HydrophobicContact CD1-CB 3.7Å; F97-A128 HydrophobicContact CE1-CB 4.14Å; F97-A128 HydrophobicContact CG-CB 4.21Å; F97-D216 HydrophobicContact CE1-CB 4.13Å; F97-D216 HydrophobicContact CZ-CB 4.43Å; F97-L220 HydrophobicContact CD1-CB 3.94Å; F97-L220 HydrophobicContact CD1-CD2 4.16Å; F97-L220 HydrophobicContact CD2-CD2 3.56Å; F97-L220 HydrophobicContact CE1-CB 4.17Å; F97-L220 HydrophobicContact CE1-CD1 4.49Å; F97-L220 HydrophobicContact CE1-CD2 4.16Å; F97-L220 HydrophobicContact CE2-CD2 3.59Å; F97-L220 HydrophobicContact CG-CB 4.24Å; F97-L220 HydrophobicContact CG-CD2 3.86Å; F97-L220 HydrophobicContact CZ-CD1 4.38Å; F97-L220 HydrophobicContact CZ-CD2 3.88Å; F97-W246 VanDerWaalsContact O-CA 3.27Å; F97-W246 WeakPolarHBondContact O-CA 3.44Å; F97-W246 WeakPolarHBondContact O-CB 3.45Å; F97-V247 HydrophobicContact CB-CB 4.31Å; F97-V247 WeakPolarHBondContact CB-O 3.39Å; F97-V247 WeakPolarHBondContact CD2-O 3.22Å; F97-V247 PolarHBondContact N-O 2.55Å; F97-V247 PolarHBondContact O-N 3.01Å; F97-R249 HydrophobicContact CE2-CB 4.05Å
98I87.6Confident86.3Confident20 Ų2049.4 Ų49.410%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-87.9124.5178.1-60.5-174.5000108.3L96 E100 I106 I127 A128 P130 A146L96-I98 HydrophobicContact CG-CG1 4.31Å; I98-E100 WeakPolarHBondContact CG2-O 2.86Å; I98-I106 HydrophobicContact CD1-CD1 3.89Å; I98-I106 HydrophobicContact CD1-CG1 4.04Å; I98-I127 HydrophobicContact CD1-CD1 3.56Å; I98-I127 HydrophobicContact CD1-CG1 4.03Å; I98-I127 HydrophobicContact CG1-CG1 4.49Å; I98-A128 PolarHBondContact N-O 3.44Å; I98-A128 VanDerWaalsContact N-O 3.11Å; I98-P130 VanDerWaalsContact O-CA 3.28Å; I98-P130 WeakPolarHBondContact O-CA 3.41Å; I98-P130 WeakPolarHBondContact O-CB 3.28Å; I98-A146 HydrophobicContact CD1-CB 4.3Å
99C80.6Confident86.3Confident50 Ų5041.5 Ų41.534%0.33823%0.229SC..SBendtrans-101-38.9178.5-60.60000111.3L244 E245C99-L244 HydrophobicContact CB-CB 4.17Å; C99-L244 WeakPolarHBondContact CB-O 3.23Å; C99-E245 WeakPolarHBondContact CA-O 3.36Å; C99-E245 WeakPolarHBondContact CB-O 3.38Å; C99-E245 PolarHBondContact N-O 2.67Å
100E73.4Confident86.3Confident75 Ų7535.8 Ų35.835%0.3520%0.202SC..SBendtrans-122.4151.3174.5-67.1-164.2174.500111.2I98 D102 R243 E245I98-E100 WeakPolarHBondContact CG2-O 2.86Å; E100-D102 PolarHBondContact O-N 3.24Å; E100-R243 WeakPolarHBondContact OE1-CD 3.27Å; E100-E245 PolarHBondContact N-O 2.8Å
101A59.3Low86.3Confident89 Ų8937.5 Ų37.574%0.73621%0.212SC*.  trans-77.214.3-167.300000115.7L103A101-L103 PolarHBondContact O-N 3.39Å
102D67.6Low86.1Confident68 Ų6835.9 Ų35.936%0.36421%0.205SC..  trans-74.6119.2178.2-170.1-9.2000110.4E100 S104 S105E100-D102 PolarHBondContact O-N 3.24Å; D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 2.93Å; D102-S104 PolarHBondContact OD1-OG 2.89Å; D102-S104 PolarHBondContact OD2-OG 3.11Å; D102-S104 VanDerWaalsContact OD2-OG 3.09Å; D102-S105 VanDerWaalsContact O-CB 3.23Å; D102-S105 WeakPolarHBondContact O-CB 3.5Å; D102-S105 PolarHBondContact O-N 3.05Å; D102-S105 PolarHBondContact O-OG 2.78Å
103L62.8Low86Confident65 Ų6536 Ų3634%0.3421%0.205SC..THydrogen-bonded Turntrans-76.3-25.4-176.6-57.5171.1000112.6A101 S105 I106 P145 A146 E149A101-L103 PolarHBondContact O-N 3.39Å; L103-S105 PolarHBondContact O-N 2.88Å; L103-S105 VanDerWaalsContact O-N 3.09Å; L103-I106 PolarHBondContact O-N 3.36Å; L103-I106 VanDerWaalsContact O-N 3.17Å; L103-P145 HydrophobicContact CD1-CB 3.24Å; L103-P145 HydrophobicContact CD1-CG 4.44Å; L103-P145 HydrophobicContact CD2-CB 3.62Å; L103-P145 HydrophobicContact CG-CB 4.04Å; L103-A146 HydrophobicContact CD2-CB 4.3Å; L103-E149 HydrophobicContact CB-CG 4.43Å
104S62.5Low85.9Confident73 Ų7335.2 Ų35.251%0.5120%0.2SC..Hα-helixtrans-61-20.8176.668.60000112.2D102 I106D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 2.93Å; D102-S104 PolarHBondContact OD1-OG 2.89Å; D102-S104 PolarHBondContact OD2-OG 3.11Å; D102-S104 VanDerWaalsContact OD2-OG 3.09Å; S104-I106 PolarHBondContact O-N 3.08Å
105S76.8Confident85.8Confident8 Ų842.6 Ų42.66%0.05623%0.234CC..Hα-helixtrans-69.2-26.2178.4-56.70000114.5D102 L103 A109 E245D102-S105 VanDerWaalsContact O-CB 3.23Å; D102-S105 WeakPolarHBondContact O-CB 3.5Å; D102-S105 PolarHBondContact O-N 3.05Å; D102-S105 PolarHBondContact O-OG 2.78Å; L103-S105 PolarHBondContact O-N 2.88Å; L103-S105 VanDerWaalsContact O-N 3.09Å; S105-A109 VanDerWaalsContact O-CB 3.25Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 2.95Å; S105-E245 PolarHBondContact OG-OE2 3.14Å
106I91.9Very high85.6Confident1 Ų143.2 Ų43.21%0.00524%0.241CC..Hα-helixtrans-72.1-50.2-175.3-62.9173.6000111.2L96 I98 L103 S104 D108 A109 V110 I127 A146 E149 L150 L153L96-I106 HydrophobicContact CD2-CB 4.26Å; L96-I106 HydrophobicContact CD2-CG1 4.01Å; L96-I106 HydrophobicContact CD2-CG2 3.98Å; I98-I106 HydrophobicContact CD1-CD1 3.89Å; I98-I106 HydrophobicContact CD1-CG1 4.04Å; L103-I106 PolarHBondContact O-N 3.36Å; L103-I106 VanDerWaalsContact O-N 3.17Å; S104-I106 PolarHBondContact O-N 3.08Å; I106-D108 VanDerWaalsContact C-N 3.32Å; I106-D108 PolarHBondContact O-N 2.89Å; I106-A109 PolarHBondContact O-N 3.3Å; I106-V110 WeakPolarHBondContact O-CG2 3.34Å; I106-V110 PolarHBondContact O-N 3.11Å; I106-I127 HydrophobicContact CD1-CD1 4.19Å; I106-A146 VanDerWaalsContact CD1-CA 3.5Å; I106-A146 HydrophobicContact CD1-CB 3.49Å; I106-A146 VanDerWaalsContact CD1-CB 3.49Å; I106-E149 HydrophobicContact CB-CB 4.41Å; I106-E149 HydrophobicContact CD1-CB 4.33Å; I106-E149 HydrophobicContact CG2-CB 4.39Å; I106-L150 HydrophobicContact CG2-CD2 3.84Å; I106-L150 HydrophobicContact CG2-CG 4.28Å; I106-L153 HydrophobicContact CG2-CD1 4.15Å
107K93.1Very high85.5Confident105 Ų10543.2 Ų43.246%0.45724%0.241SC..Hα-helixtrans-61.2-43.6177.4174.2174.6-178.7-54.30111V110 D111 L153K107-V110 PolarHBondContact O-N 2.9Å; K107-D111 IonicContact NZ-OD2 3.85Å; K107-D111 PolarHBondContact NZ-OD2 2.9Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 3.44Å; K107-L153 HydrophobicContact CB-CD2 4.47Å; K107-L153 HydrophobicContact CG-CD2 4.18Å
108D92.1Very high85.6Confident57 Ų5745.1 Ų45.131%0.30526%0.26SS..Hα-helixtrans-59.7-45.4175.6-179.169.7000111.9I106 V110 D111 K112I106-D108 VanDerWaalsContact C-N 3.32Å; I106-D108 PolarHBondContact O-N 2.89Å; D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 2.7Å; D108-D111 PolarHBondContact O-N 3.03Å; D108-K112 VanDerWaalsContact CG-CE 3.43Å; D108-K112 WeakPolarHBondContact O-CB 3.41Å; D108-K112 WeakPolarHBondContact O-CG 3.03Å; D108-K112 PolarHBondContact O-N 3.05Å; D108-K112 VanDerWaalsContact OD1-CE 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.07Å; D108-K112 WeakPolarHBondContact OD2-CD 3.42Å; D108-K112 WeakPolarHBondContact OD2-CE 3.5Å
109A94.8Very high86Confident0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-59.7-43177.400000112.5L96 S105 I106 A113 W246 L248L96-A109 HydrophobicContact CD1-CB 3.77Å; L96-A109 HydrophobicContact CD2-CB 4.38Å; S105-A109 VanDerWaalsContact O-CB 3.25Å; S105-A109 WeakPolarHBondContact O-CB 3.39Å; S105-A109 PolarHBondContact O-N 2.95Å; I106-A109 PolarHBondContact O-N 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.42Å; A109-A113 PolarHBondContact O-N 2.96Å; A109-W246 HydrophobicContact CB-CD2 3.75Å; A109-W246 HydrophobicContact CB-CE3 3.9Å; A109-W246 HydrophobicContact CB-CG 4.42Å; A109-W246 HydrophobicContact CB-CH2 3.95Å; A109-W246 HydrophobicContact CB-CZ2 3.76Å; A109-W246 HydrophobicContact CB-CZ3 4.01Å; A109-L248 HydrophobicContact CB-CD1 4.14Å; A109-L248 WeakPolarHBondContact O-CD1 3.33Å
110V96.6Very high86.7Confident1 Ų147.1 Ų47.11%0.00628%0.275CS..Hα-helixtrans-69.7-42.3178.1172.40000111.7I106 K107 D108 A113 C114 L122 V125 L153 K158 I159I106-V110 WeakPolarHBondContact O-CG2 3.34Å; I106-V110 PolarHBondContact O-N 3.11Å; K107-V110 PolarHBondContact O-N 2.9Å; D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 2.7Å; V110-A113 PolarHBondContact O-N 2.86Å; V110-C114 PolarHBondContact O-N 3.18Å; V110-C114 PolarHBondContact O-SG 2.86Å; V110-L122 HydrophobicContact CG1-CD1 3.96Å; V110-L122 HydrophobicContact CG2-CD1 4.5Å; V110-V125 HydrophobicContact CG2-CG2 4.41Å; V110-L153 HydrophobicContact CB-CD1 4.06Å; V110-L153 HydrophobicContact CG1-CD1 4.34Å; V110-L153 HydrophobicContact CG1-CD2 4.47Å; V110-L153 HydrophobicContact CG2-CD1 3.88Å; V110-K158 HydrophobicContact CG1-CB 4.38Å; V110-I159 HydrophobicContact CG1-CD1 4.39Å; V110-I159 HydrophobicContact CG1-CG1 4.07Å; V110-I159 HydrophobicContact CG2-CD1 4.21Å
111D95.4Very high87.9Confident41 Ų4146.1 Ų46.122%0.21927%0.271CS..Hα-helixtrans-63.2-42.8176.6-81.6-31.5000110.8K107 D108 C114 Q115 K158K107-D111 IonicContact NZ-OD2 3.85Å; K107-D111 PolarHBondContact NZ-OD2 2.9Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 3.44Å; D108-D111 PolarHBondContact O-N 3.03Å; D111-C114 PolarHBondContact O-N 2.77Å; D111-Q115 WeakPolarHBondContact O-CB 3.27Å; D111-Q115 PolarHBondContact O-N 2.81Å; D111-K158 IonicContact OD1-NZ 3.92Å; D111-K158 PolarHBondContact OD1-NZ 2.93Å
112K94.6Very high89.7Confident46 Ų4641.9 Ų41.920%0.224%0.236CC..Hα-helixtrans-62.8-40.3173.6-76.3178.4-174-73.20112.5N19 D108 Q115 A116 W246 L266N19-K112 PolarHBondContact ND2-NZ 3.48Å; N19-K112 WeakPolarHBondContact OD1-CE 3.43Å; N19-K112 PolarHBondContact OD1-NZ 2.97Å; D108-K112 VanDerWaalsContact CG-CE 3.43Å; D108-K112 WeakPolarHBondContact O-CB 3.41Å; D108-K112 WeakPolarHBondContact O-CG 3.03Å; D108-K112 PolarHBondContact O-N 3.05Å; D108-K112 VanDerWaalsContact OD1-CE 3.27Å; D108-K112 WeakPolarHBondContact OD1-CE 3.07Å; D108-K112 WeakPolarHBondContact OD2-CD 3.42Å; D108-K112 WeakPolarHBondContact OD2-CE 3.5Å; K112-Q115 PolarHBondContact O-N 2.71Å; K112-A116 WeakPolarHBondContact O-CB 3.25Å; K112-A116 PolarHBondContact O-N 3.21Å; K112-W246 HydrophobicContact CD-CH2 3.85Å; K112-W246 HydrophobicContact CD-CZ2 3.8Å; K112-L266 HydrophobicContact CB-CD1 4.43Å
113A95.7Very high91.2Very high1 Ų140 Ų401%0.00823%0.226CC..Hα-helixtrans-63.7-44.2175.100000112.3A109 V110 Q115 A116 L117 L122 L248 L266A109-A113 WeakPolarHBondContact O-CB 3.42Å; A109-A113 PolarHBondContact O-N 2.96Å; V110-A113 PolarHBondContact O-N 2.86Å; A113-Q115 VanDerWaalsContact C-N 3.34Å; A113-Q115 PolarHBondContact O-N 3.26Å; A113-A116 PolarHBondContact O-N 3.44Å; A113-L117 WeakPolarHBondContact O-CB 3.17Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 3.08Å; A113-L122 HydrophobicContact CB-CD1 4.24Å; A113-L122 HydrophobicContact CB-CD2 4.45Å; A113-L248 HydrophobicContact CB-CD1 3.86Å; A113-L248 HydrophobicContact CB-CD2 4.19Å; A113-L266 HydrophobicContact CB-CD1 3.96Å
114C96.1Very high92.9Very high7 Ų737.5 Ų37.55%0.04721%0.214CC..Hα-helixtrans-59.1-46175.3-71.20000111.4V110 D111 A118 V119V110-C114 PolarHBondContact O-N 3.18Å; V110-C114 PolarHBondContact O-SG 2.86Å; D111-C114 PolarHBondContact O-N 2.77Å; C114-A118 WeakPolarHBondContact O-CA 3.46Å; C114-A118 PolarHBondContact O-N 3.13Å; C114-V119 CarbonylContact C-O 3.58Å; C114-V119 WeakPolarHBondContact CA-O 3.39Å; C114-V119 WeakPolarHBondContact CB-O 3.49Å; C114-V119 PolarHBondContact O-N 2.78Å
115Q94.4Very high94.6Very high160 Ų16034 Ų3475%0.74819%0.189SC*.Hα-helixtrans-64.1-49.3177.9-173.9178.714.900112.1D111 K112 A113 L117 A118D111-Q115 WeakPolarHBondContact O-CB 3.27Å; D111-Q115 PolarHBondContact O-N 2.81Å; K112-Q115 PolarHBondContact O-N 2.71Å; A113-Q115 VanDerWaalsContact C-N 3.34Å; A113-Q115 PolarHBondContact O-N 3.26Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.12Å; Q115-A118 PolarHBondContact O-N 3.43Å
116A93.1Very high95.6Very high22 Ų2234.2 Ų34.218%0.18219%0.19CC..Hα-helixtrans-64.6-32.4-176.200000113K112 A113 L266K112-A116 WeakPolarHBondContact O-CB 3.25Å; K112-A116 PolarHBondContact O-N 3.21Å; A113-A116 PolarHBondContact O-N 3.44Å; A116-L266 HydrophobicContact CB-CD1 4.24Å; A116-L266 HydrophobicContact CB-CD2 4.18Å
117L93.9Very high95.8Very high1 Ų134.4 Ų34.41%0.00519%0.191CC..Hα-helixtrans-97.5-0.5-179.4-56.9179.7000113.2I82 V92 A113 Q115 V119 Y250 I252I82-L117 WeakPolarHBondContact CB-O 3.5Å; I82-L117 PolarHBondContact N-O 3.22Å; I82-L117 VanDerWaalsContact N-O 3.15Å; V92-L117 HydrophobicContact CG1-CD1 3.69Å; A113-L117 WeakPolarHBondContact O-CB 3.17Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 3.08Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 3.12Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 HydrophobicContact CB-CG1 4.49Å; L117-V119 HydrophobicContact CB-CG2 4.22Å; L117-V119 PolarHBondContact O-N 3.2Å; L117-Y250 HydrophobicContact CD1-CD2 4.22Å; L117-Y250 HydrophobicContact CD1-CG 4.16Å; L117-Y250 HydrophobicContact CD2-CD2 4.01Å; L117-Y250 HydrophobicContact CD2-CE1 4.45Å; L117-Y250 HydrophobicContact CD2-CE2 3.86Å; L117-Y250 HydrophobicContact CD2-CG 4.36Å; L117-I252 HydrophobicContact CD1-CD1 4.36Å; L117-I252 HydrophobicContact CD2-CD1 4.04Å
118A94.9Very high95.7Very high58 Ų5829.9 Ų29.948%0.47917%0.173SC..THydrogen-bonded Turntrans54.942.6-175.800000113.7V81 C114 Q115V81-A118 HydrophobicContact CB-CB 4.03Å; V81-A118 HydrophobicContact CG1-CB 4.35Å; C114-A118 WeakPolarHBondContact O-CA 3.46Å; C114-A118 PolarHBondContact O-N 3.13Å; Q115-A118 PolarHBondContact O-N 3.43Å
119V96Very high95.3Very high12 Ų1228.5 Ų28.57%0.07317%0.167CC..  trans-119.5145.8177.6-60.20000111.3I82 V92 C114 L117 L122I82-V119 HydrophobicContact CB-CG1 3.96Å; I82-V119 HydrophobicContact CD1-CG1 3.63Å; I82-V119 HydrophobicContact CG1-CG1 4.35Å; I82-V119 HydrophobicContact CG2-CG1 4.16Å; V92-V119 HydrophobicContact CG2-CG1 4.45Å; C114-V119 CarbonylContact C-O 3.58Å; C114-V119 WeakPolarHBondContact CA-O 3.39Å; C114-V119 WeakPolarHBondContact CB-O 3.49Å; C114-V119 PolarHBondContact O-N 2.78Å; L117-V119 VanDerWaalsContact C-N 3.33Å; L117-V119 HydrophobicContact CB-CG1 4.49Å; L117-V119 HydrophobicContact CB-CG2 4.22Å; L117-V119 PolarHBondContact O-N 3.2Å; V119-L122 HydrophobicContact CG2-CD2 3.97Å
120S95.9Very high94.6Very high99 Ų9930.7 Ų30.769%0.69218%0.181SC*.SBendtrans-80.7-24.7174.752.60000113.2
121Q97.5Very high93.5Very high55 Ų5533.6 Ų33.626%0.25721%0.205SC..  trans-146.5135.8-174.9179.3179.475.700111.2R87 H157 K158R87-Q121 PolarHBondContact NH2-O 2.92Å; Q121-H157 WeakPolarHBondContact CB-O 3.39Å; Q121-H157 VanDerWaalsContact CG-O 3.27Å; Q121-H157 WeakPolarHBondContact CG-O 3.33Å; Q121-H157 PolarHBondContact NE2-O 3.31Å; Q121-K158 WeakPolarHBondContact CA-O 3.31Å
122L98.4Very high92.5Very high0 Ų034.7 Ų34.70%021%0.211CC..BIsolated β-bridgetrans-85140168.6-56.8178.3000110.5V92 V94 V110 A113 V119 V125 K158 I159 A160V92-L122 HydrophobicContact CG1-CD2 3.79Å; V94-L122 HydrophobicContact CG1-CD1 4Å; V94-L122 HydrophobicContact CG1-CD2 4.22Å; V94-L122 HydrophobicContact CG2-CD1 3.79Å; V110-L122 HydrophobicContact CG1-CD1 3.96Å; V110-L122 HydrophobicContact CG2-CD1 4.5Å; A113-L122 HydrophobicContact CB-CD1 4.24Å; A113-L122 HydrophobicContact CB-CD2 4.45Å; V119-L122 HydrophobicContact CG2-CD2 3.97Å; L122-V125 HydrophobicContact CB-CG2 4.38Å; L122-V125 HydrophobicContact CD1-CG2 3.83Å; L122-K158 PolarHBondContact N-O 2.77Å; L122-I159 CarbonylContact O-C 3.54Å; L122-I159 WeakPolarHBondContact O-CA 3.48Å; L122-A160 PolarHBondContact O-N 3.37Å
123D98.4Very high91.6Very high28 Ų2836.8 Ų36.815%0.1523%0.229CC..SBendtrans-74.9-33.6-179.5-62.8-61.7000112R87 K91 V92 T161R87-D123 IonicContact CZ-OD1 3.19Å; R87-D123 IonicContact CZ-OD2 2.77Å; R87-D123 IonicContact NH1-OD1 2.87Å; R87-D123 PolarHBondContact NH1-OD1 3.33Å; R87-D123 IonicContact NH1-OD2 2.66Å; R87-D123 PolarHBondContact NH1-OD2 3.15Å; R87-D123 IonicContact NH2-OD1 2.93Å; R87-D123 PolarHBondContact NH2-OD1 3.17Å; R87-D123 IonicContact NH2-OD2 3.16Å; R87-D123 PolarHBondContact NH2-OD2 2.75Å; R87-D123 VanDerWaalsContact NH2-OD2 3.11Å; K91-D123 VanDerWaalsContact CA-OD2 3.27Å; K91-D123 WeakPolarHBondContact CA-OD2 3.44Å; K91-D123 HydrophobicContact CG-CB 4.14Å; V92-D123 PolarHBondContact N-OD2 2.95Å; V92-D123 WeakPolarHBondContact O-CB 3.1Å; V92-D123 PolarHBondContact O-N 2.88Å; D123-T161 PolarHBondContact O-N 2.74Å; D123-T161 PolarHBondContact O-OG1 2.76Å
124S98.3Very high90.4Very high12 Ų1245.2 Ų45.28%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-154.2137.3175.567.70000113.2V92 S93 V94 T161V92-S124 PolarHBondContact O-N 2.76Å; S93-S124 WeakPolarHBondContact CA-O 3.48Å; S93-S124 WeakPolarHBondContact CB-OG 3.22Å; S93-S124 PolarHBondContact OG-OG 2.91Å; V94-S124 PolarHBondContact N-O 3.44Å; S124-T161 CarbonylContact C-O 3.55Å; S124-T161 VanDerWaalsContact CA-O 3.26Å; S124-T161 WeakPolarHBondContact CA-O 3.4Å; S124-T161 VanDerWaalsContact CB-OG1 3.31Å; S124-T161 WeakPolarHBondContact CB-OG1 3.48Å
125V98.5Very high89.1Confident1 Ų154.1 Ų54.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-116.7124.2170179.30000109.5V94 V110 L122 L150 I159 T161 I162 G163V94-V125 HydrophobicContact CG2-CB 4.04Å; V94-V125 HydrophobicContact CG2-CG1 3.98Å; V94-V125 HydrophobicContact CG2-CG2 3.57Å; V94-V125 WeakPolarHBondContact O-CA 3.19Å; V110-V125 HydrophobicContact CG2-CG2 4.41Å; L122-V125 HydrophobicContact CB-CG2 4.38Å; L122-V125 HydrophobicContact CD1-CG2 3.83Å; V125-L150 HydrophobicContact CB-CD2 4.46Å; V125-L150 HydrophobicContact CG1-CD2 3.88Å; V125-I159 HydrophobicContact CB-CD1 4.07Å; V125-I159 HydrophobicContact CB-CG2 4.12Å; V125-I159 HydrophobicContact CG2-CB 4.29Å; V125-I159 HydrophobicContact CG2-CD1 3.51Å; V125-I159 HydrophobicContact CG2-CG1 3.62Å; V125-I159 HydrophobicContact CG2-CG2 3.67Å; V125-T161 PolarHBondContact N-O 2.73Å; V125-I162 CarbonylContact O-C 3.48Å; V125-I162 VanDerWaalsContact O-CA 3.3Å; V125-I162 WeakPolarHBondContact O-CA 3.08Å; V125-G163 PolarHBondContact O-N 2.83Å
126I97.9Very high88.4Confident12 Ų1250.2 Ų50.26%0.06230%0.296CS..EExtended strand (participates in β ladder)trans-104.4126.7170.8-63.9174.5000108.5V94 K95 L96 G163 Q187 L212V94-I126 PolarHBondContact O-N 3.29Å; K95-I126 CarbonylContact C-O 3.52Å; K95-I126 VanDerWaalsContact CA-O 3.28Å; K95-I126 WeakPolarHBondContact CA-O 3.32Å; K95-I126 HydrophobicContact CB-CB 4.45Å; K95-I126 HydrophobicContact CD-CG2 4.39Å; K95-I126 HydrophobicContact CG-CB 4.26Å; K95-I126 HydrophobicContact CG-CG2 4.2Å; L96-I126 PolarHBondContact N-O 3.25Å; I126-G163 WeakPolarHBondContact CA-O 3.35Å; I126-Q187 HydrophobicContact CD1-CG 4Å; I126-L212 HydrophobicContact CD1-CD1 4.18Å
127I95.1Very high87.7Confident5 Ų554 Ų543%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-92.6126.6174.3-168.5161.8000110.9I98 I106 A146 W147 L150 G163 T164 S165I98-I127 HydrophobicContact CD1-CD1 3.56Å; I98-I127 HydrophobicContact CD1-CG1 4.03Å; I98-I127 HydrophobicContact CG1-CG1 4.49Å; I106-I127 HydrophobicContact CD1-CD1 4.19Å; I127-A146 HydrophobicContact CD1-CB 3.52Å; I127-W147 HydrophobicContact CG2-CE3 4.24Å; I127-W147 HydrophobicContact CG2-CZ3 4.1Å; I127-L150 HydrophobicContact CB-CD1 3.95Å; I127-L150 HydrophobicContact CD1-CD1 4Å; I127-L150 HydrophobicContact CG2-CD1 4Å; I127-G163 PolarHBondContact N-O 2.66Å; I127-T164 HydrophobicContact CG2-CG2 4.33Å; I127-T164 CarbonylContact O-C 3.54Å; I127-S165 PolarHBondContact O-N 3.44Å
128A92.6Very high87.3Confident9 Ų956.3 Ų56.37%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-103.6104.8166.600000107.8L96 F97 I98L96-A128 PolarHBondContact O-N 3.07Å; F97-A128 HydrophobicContact CD1-CB 3.7Å; F97-A128 HydrophobicContact CE1-CB 4.14Å; F97-A128 HydrophobicContact CG-CB 4.21Å; I98-A128 PolarHBondContact N-O 3.44Å; I98-A128 VanDerWaalsContact N-O 3.11Å
129P82.4Confident87.2Confident28 Ų2856.6 Ų56.618%0.18233%0.327CS..PPolyproline II helixtrans-62.3159.417825.6-32.6000111.1Q138 L143P129-Q138 VanDerWaalsContact CG-CD 3.48Å; P129-L143 HydrophobicContact CB-CD2 3.94Å; P129-L143 HydrophobicContact CG-CD2 4.12Å
130P80.8Confident87Confident47 Ų4757.2 Ų57.231%0.30533%0.33SS..PPolyproline II helixtrans-60.1143.2-179.824.9-33.2000111I98 L132I98-P130 VanDerWaalsContact O-CA 3.28Å; I98-P130 WeakPolarHBondContact O-CA 3.41Å; I98-P130 WeakPolarHBondContact O-CB 3.28Å; P130-L132 PolarHBondContact O-N 3.21Å; P130-L132 VanDerWaalsContact O-N 3.15Å
131A74.3Confident86.8Confident62 Ų6257.9 Ų57.951%0.51233%0.326SS..PPolyproline II helixtrans-62118.8173.600000109.3
132L74Confident86.4Confident64 Ų6459.4 Ų59.434%0.33534%0.336SS..PPolyproline II helixtrans-83.2152.5173.9-64.2174.4000110.2P130 V136 Q138P130-L132 PolarHBondContact O-N 3.21Å; P130-L132 VanDerWaalsContact O-N 3.15Å; L132-V136 HydrophobicContact CB-CB 4.31Å; L132-V136 WeakPolarHBondContact CB-O 3.46Å; L132-V136 HydrophobicContact CD1-CG1 4.2Å; L132-Q138 VanDerWaalsContact CD1-CA 3.45Å; L132-Q138 HydrophobicContact CD1-CB 3.82Å; L132-Q138 HydrophobicContact CD1-CG 4.16Å
133P76.2Confident86Confident89 Ų8959.8 Ų59.858%0.57834%0.338SS*.PPolyproline II helixtrans-52.9148.2168.3-22.833.4000110.7E135 V136P133-E135 PolarHBondContact O-N 3.21Å; P133-V136 HydrophobicContact CB-CG2 4.44Å; P133-V136 PolarHBondContact O-N 3.25Å
134E69.1Low85.8Confident178 Ų17860.8 Ų60.883%0.83234%0.342SS*.THydrogen-bonded Turntrans-57.5-20.2-171.4-64.6-163.9143.100114.9K218E134-K218 IonicContact OE1-NZ 2.67Å
135E70.1Confident85.5Confident194 Ų19462.6 Ų62.691%0.90735%0.354SS*.THydrogen-bonded Turntrans-90.1-6.5-179-60.4175-177.500113.4P133P133-E135 PolarHBondContact O-N 3.21Å
136V78.4Confident85.2Confident79 Ų7963 Ų6348%0.47936%0.357SS..  trans-114.6111.9-175.5-174.10000109.6L132 P133L132-V136 HydrophobicContact CB-CB 4.31Å; L132-V136 WeakPolarHBondContact CB-O 3.46Å; L132-V136 HydrophobicContact CD1-CG1 4.2Å; P133-V136 HydrophobicContact CB-CG2 4.44Å; P133-V136 PolarHBondContact O-N 3.25Å
137S80.1Confident85.1Confident100 Ų10062.6 Ų62.670%0.69936%0.355SS*.  trans-72.8143.1170.1-60.50000110.6
138Q85Confident85.1Confident51 Ų5164.9 Ų64.924%0.23837%0.371CS..  trans-66.6138.1171.7-163.1171.1-76.300110.4P129 L132 L143 L171P129-Q138 VanDerWaalsContact CG-CD 3.48Å; L132-Q138 VanDerWaalsContact CD1-CA 3.45Å; L132-Q138 HydrophobicContact CD1-CB 3.82Å; L132-Q138 HydrophobicContact CD1-CG 4.16Å; Q138-L143 HydrophobicContact CG-CD2 4.44Å; Q138-L143 HydrophobicContact CG-CG 4.45Å; Q138-L171 HydrophobicContact CB-CD2 3.9Å; Q138-L171 HydrophobicContact CG-CD2 3.98Å; Q138-L171 WeakPolarHBondContact O-CD2 3.35Å
139T91.8Very high85.2Confident63 Ų6368 Ų6839%0.38738%0.384SS..  trans-119.6164.7179.669.40000111.1D141 N142T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 3.04Å; T139-N142 PolarHBondContact N-OD1 2.95Å; T139-N142 WeakPolarHBondContact O-CB 3.48Å; T139-N142 PolarHBondContact O-N 3.47Å; T139-N142 VanDerWaalsContact O-N 3.17Å; T139-N142 VanDerWaalsContact OG1-CG 3.29Å; T139-N142 PolarHBondContact OG1-OD1 2.96Å
140L93.3Very high85.9Confident26 Ų2666.7 Ų66.714%0.13638%0.375CS..Hα-helixtrans-57.3-42.6175.2179.461.4000111.1N142 L143 Q144 L171 Q174 L175 W178L140-N142 PolarHBondContact O-N 3.4Å; L140-N142 VanDerWaalsContact O-N 3.16Å; L140-L143 WeakPolarHBondContact O-CA 3.41Å; L140-L143 WeakPolarHBondContact O-CB 3.43Å; L140-L143 PolarHBondContact O-N 3.45Å; L140-Q144 HydrophobicContact CD1-CG 4.09Å; L140-Q144 HydrophobicContact CG-CG 3.9Å; L140-Q144 WeakPolarHBondContact O-CG 3.32Å; L140-Q144 PolarHBondContact O-N 3.15Å; L140-L171 HydrophobicContact CB-CD1 4.22Å; L140-Q174 HydrophobicContact CD2-CB 4.3Å; L140-L175 HydrophobicContact CD1-CB 4.08Å; L140-L175 HydrophobicContact CD1-CD1 3.95Å; L140-W178 HydrophobicContact CD1-CE3 4.43Å; L140-W178 HydrophobicContact CD2-CB 4.08Å; L140-W178 HydrophobicContact CD2-CG 4.27Å
141D91.4Very high86.8Confident112 Ų11265.3 Ų65.360%0.59937%0.365SS*.Hα-helixtrans-60-28.5-179.5-65.9-8.3000112.5T139 L143 Q144 P145T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 3.04Å; D141-L143 VanDerWaalsContact C-N 3.33Å; D141-Q144 PolarHBondContact OD1-OE1 3.35Å; D141-P145 WeakPolarHBondContact O-CD 3.47Å
142N88.1Confident87.9Confident88 Ų8863.9 Ų63.947%0.47136%0.356SS..Hα-helixtrans-72.8-27.7174.1-54.1125.9000112.6T139 L140T139-N142 PolarHBondContact N-OD1 2.95Å; T139-N142 WeakPolarHBondContact O-CB 3.48Å; T139-N142 PolarHBondContact O-N 3.47Å; T139-N142 VanDerWaalsContact O-N 3.17Å; T139-N142 VanDerWaalsContact OG1-CG 3.29Å; T139-N142 PolarHBondContact OG1-OD1 2.96Å; L140-N142 PolarHBondContact O-N 3.4Å; L140-N142 VanDerWaalsContact O-N 3.16Å
143L91Very high89Confident8 Ų861.1 Ų61.14%0.04234%0.342CS..Hα-helixtrans-91.7-35.6-176.2-65.1178.6000113.1P129 Q138 L140 D141 P145 A146 W147 L167 L171P129-L143 HydrophobicContact CB-CD2 3.94Å; P129-L143 HydrophobicContact CG-CD2 4.12Å; Q138-L143 HydrophobicContact CG-CD2 4.44Å; Q138-L143 HydrophobicContact CG-CG 4.45Å; L140-L143 WeakPolarHBondContact O-CA 3.41Å; L140-L143 WeakPolarHBondContact O-CB 3.43Å; L140-L143 PolarHBondContact O-N 3.45Å; D141-L143 VanDerWaalsContact C-N 3.33Å; L143-P145 VanDerWaalsContact C-N 3.33Å; L143-A146 PolarHBondContact O-N 3.49Å; L143-W147 WeakPolarHBondContact O-CB 3.46Å; L143-W147 PolarHBondContact O-N 3.24Å; L143-L167 HydrophobicContact CD1-CD1 3.91Å; L143-L167 HydrophobicContact CD1-CD2 3.8Å; L143-L171 HydrophobicContact CD1-CD1 4.1Å; L143-L171 HydrophobicContact CD1-CD2 3.99Å; L143-L171 HydrophobicContact CD1-CG 3.96Å
144Q93.2Very high90.1Very high48 Ų4858.3 Ų58.322%0.22432%0.323CS..Hα-helixtrans-48.7-45.2-174.5-75.4175.5-25.600114.2L140 D141 W147 S148 W178L140-Q144 HydrophobicContact CD1-CG 4.09Å; L140-Q144 HydrophobicContact CG-CG 3.9Å; L140-Q144 WeakPolarHBondContact O-CG 3.32Å; L140-Q144 PolarHBondContact O-N 3.15Å; D141-Q144 PolarHBondContact OD1-OE1 3.35Å; Q144-W147 PolarHBondContact O-N 3.11Å; Q144-S148 WeakPolarHBondContact O-CB 3.44Å; Q144-S148 PolarHBondContact O-N 3.48Å; Q144-S148 PolarHBondContact O-OG 3.31Å; Q144-W178 HydrophobicContact CB-CH2 3.7Å; Q144-W178 HydrophobicContact CB-CZ2 3.81Å; Q144-W178 HydrophobicContact CB-CZ3 4.24Å; Q144-W178 HydrophobicContact CG-CD2 3.94Å; Q144-W178 HydrophobicContact CG-CE3 4.04Å; Q144-W178 HydrophobicContact CG-CH2 3.67Å; Q144-W178 HydrophobicContact CG-CZ2 3.55Å; Q144-W178 HydrophobicContact CG-CZ3 3.91Å; Q144-W178 VanDerWaalsContact NE2-NE1 3.2Å
145P91.9Very high91.5Very high51 Ų5155.9 Ų55.933%0.33131%0.312SS..Hα-helixtrans-69.6-41.5-174.8-16.231.3000111.2L103 D141 L143 S148 E149L103-P145 HydrophobicContact CD1-CB 3.24Å; L103-P145 HydrophobicContact CD1-CG 4.44Å; L103-P145 HydrophobicContact CD2-CB 3.62Å; L103-P145 HydrophobicContact CG-CB 4.04Å; D141-P145 WeakPolarHBondContact O-CD 3.47Å; L143-P145 VanDerWaalsContact C-N 3.33Å; P145-S148 PolarHBondContact O-N 3.16Å; P145-E149 PolarHBondContact O-N 2.81Å
146A92.2Very high92.7Very high9 Ų950 Ų507%0.07429%0.291CS..Hα-helixtrans-69.2-37.7177.100000112.4I98 L103 I106 I127 L143 E149 L150I98-A146 HydrophobicContact CD1-CB 4.3Å; L103-A146 HydrophobicContact CD2-CB 4.3Å; I106-A146 VanDerWaalsContact CD1-CA 3.5Å; I106-A146 HydrophobicContact CD1-CB 3.49Å; I106-A146 VanDerWaalsContact CD1-CB 3.49Å; I127-A146 HydrophobicContact CD1-CB 3.52Å; L143-A146 PolarHBondContact O-N 3.49Å; A146-E149 PolarHBondContact O-N 2.86Å; A146-L150 WeakPolarHBondContact O-CG 3.49Å; A146-L150 PolarHBondContact O-N 3.35Å
147W95.9Very high93.7Very high4 Ų452.7 Ų52.72%0.01530%0.299CS..Hα-helixtrans-64.9-44.5176-161.1-98000111.3I127 L143 Q144 E149 L150 E151 I162 T164 L175 W178 A179 V181 P183I127-W147 HydrophobicContact CG2-CE3 4.24Å; I127-W147 HydrophobicContact CG2-CZ3 4.1Å; L143-W147 WeakPolarHBondContact O-CB 3.46Å; L143-W147 PolarHBondContact O-N 3.24Å; Q144-W147 PolarHBondContact O-N 3.11Å; W147-E149 VanDerWaalsContact C-N 3.28Å; W147-E149 PolarHBondContact O-N 3.05Å; W147-L150 HydrophobicContact CE3-CD1 4.07Å; W147-L150 HydrophobicContact CZ3-CD1 4.28Å; W147-L150 CarbonylContact O-C 3.54Å; W147-L150 WeakPolarHBondContact O-CA 3.43Å; W147-L150 WeakPolarHBondContact O-CB 3.45Å; W147-L150 PolarHBondContact O-N 2.72Å; W147-E151 PolarHBondContact NE1-OE1 3.04Å; W147-E151 VanDerWaalsContact O-CG 3.31Å; W147-E151 WeakPolarHBondContact O-CG 3.37Å; W147-E151 PolarHBondContact O-N 2.85Å; W147-I162 HydrophobicContact CD2-CD1 4.31Å; W147-I162 HydrophobicContact CH2-CB 4.16Å; W147-I162 HydrophobicContact CH2-CD1 3.83Å; W147-I162 HydrophobicContact CH2-CG1 3.77Å; W147-I162 HydrophobicContact CZ2-CD1 3.41Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.41Å; W147-I162 HydrophobicContact CZ2-CG1 3.68Å; W147-I162 HydrophobicContact CZ3-CD1 4.44Å; W147-T164 HydrophobicContact CE3-CG2 4.08Å; W147-T164 HydrophobicContact CH2-CG2 3.93Å; W147-T164 HydrophobicContact CZ3-CG2 3.37Å; W147-L175 HydrophobicContact CB-CD1 4.2Å; W147-L175 HydrophobicContact CD2-CD1 3.99Å; W147-L175 HydrophobicContact CD2-CD2 4.08Å; W147-L175 HydrophobicContact CD2-CG 4.41Å; W147-L175 HydrophobicContact CE3-CD2 4Å; W147-L175 HydrophobicContact CG-CD1 3.79Å; W147-L175 HydrophobicContact CH2-CD2 4.43Å; W147-L175 HydrophobicContact CZ2-CD2 4.47Å; W147-L175 HydrophobicContact CZ3-CD2 4.19Å; W147-W178 HydrophobicContact CB-CZ3 4.07Å; W147-W178 AromaticContact CD1-CZ3 3.77Å; W147-W178 HydrophobicContact CG-CZ3 4.2Å; W147-A179 VanDerWaalsContact NE1-CB 3.3Å; W147-V181 PolarHBondContact NE1-O 3.12Å; W147-P183 HydrophobicContact CH2-CB 3.57Å; W147-P183 HydrophobicContact CZ2-CB 3.74Å; W147-P183 HydrophobicContact CZ2-CG 4.31Å
148S95.6Very high94.5Very high53 Ų5351.1 Ų51.137%0.37128%0.279SS..Hα-helixtrans-56.2-41.2178.4-58.20000112.5Q144 P145 E151 G152Q144-S148 WeakPolarHBondContact O-CB 3.44Å; Q144-S148 PolarHBondContact O-N 3.48Å; Q144-S148 PolarHBondContact O-OG 3.31Å; P145-S148 PolarHBondContact O-N 3.16Å; S148-E151 PolarHBondContact O-N 2.9Å; S148-G152 PolarHBondContact O-N 3Å; S148-G152 VanDerWaalsContact O-N 3.11Å
149E95.4Very high95.2Very high75 Ų7548.7 Ų48.735%0.3527%0.268SS..Hα-helixtrans-62.7-43173.9-71.1-62.8144.600111.9L103 I106 P145 A146 W147 E151 G152 L153L103-E149 HydrophobicContact CB-CG 4.43Å; I106-E149 HydrophobicContact CB-CB 4.41Å; I106-E149 HydrophobicContact CD1-CB 4.33Å; I106-E149 HydrophobicContact CG2-CB 4.39Å; P145-E149 PolarHBondContact O-N 2.81Å; A146-E149 PolarHBondContact O-N 2.86Å; W147-E149 VanDerWaalsContact C-N 3.28Å; W147-E149 PolarHBondContact O-N 3.05Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 2.73Å; E149-G152 PolarHBondContact O-N 3.5Å; E149-L153 WeakPolarHBondContact O-CG 3.23Å; E149-L153 PolarHBondContact O-N 3.37Å
150L96.9Very high95.5Very high0 Ų047.9 Ų47.90%027%0.267CS..Hα-helixtrans-63-39175-68.6172.9000112.3I106 V125 I127 A146 W147 G152 L153 V154 I159 I162I106-L150 HydrophobicContact CG2-CD2 3.84Å; I106-L150 HydrophobicContact CG2-CG 4.28Å; V125-L150 HydrophobicContact CB-CD2 4.46Å; V125-L150 HydrophobicContact CG1-CD2 3.88Å; I127-L150 HydrophobicContact CB-CD1 3.95Å; I127-L150 HydrophobicContact CD1-CD1 4Å; I127-L150 HydrophobicContact CG2-CD1 4Å; A146-L150 WeakPolarHBondContact O-CG 3.49Å; A146-L150 PolarHBondContact O-N 3.35Å; W147-L150 HydrophobicContact CE3-CD1 4.07Å; W147-L150 HydrophobicContact CZ3-CD1 4.28Å; W147-L150 CarbonylContact O-C 3.54Å; W147-L150 WeakPolarHBondContact O-CA 3.43Å; W147-L150 WeakPolarHBondContact O-CB 3.45Å; W147-L150 PolarHBondContact O-N 2.72Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-G152 PolarHBondContact O-N 3.23Å; L150-L153 HydrophobicContact CD2-CD1 4.49Å; L150-L153 PolarHBondContact O-N 2.84Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 2.98Å; L150-I159 HydrophobicContact CD2-CD1 3.92Å; L150-I162 HydrophobicContact CB-CD1 3.93Å; L150-I162 HydrophobicContact CB-CG2 4.08Å; L150-I162 HydrophobicContact CD2-CG2 4.42Å
151E98.2Very high95.7Very high17 Ų1749.3 Ų49.38%0.07928%0.277CS..Hα-helixtrans-60.3-44.2174.8-56.5-165.1142.500111.1W147 S148 E149 L153 V154 Q155 A179 Q180 V181W147-E151 PolarHBondContact NE1-OE1 3.04Å; W147-E151 VanDerWaalsContact O-CG 3.31Å; W147-E151 WeakPolarHBondContact O-CG 3.37Å; W147-E151 PolarHBondContact O-N 2.85Å; S148-E151 PolarHBondContact O-N 2.9Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 2.73Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-V154 PolarHBondContact O-N 2.84Å; E151-Q155 VanDerWaalsContact O-CG 3.28Å; E151-Q155 WeakPolarHBondContact O-CG 3.21Å; E151-Q155 PolarHBondContact O-N 2.87Å; E151-A179 WeakPolarHBondContact OE1-CA 3.48Å; E151-A179 WeakPolarHBondContact OE1-CB 3.44Å; E151-Q180 WeakPolarHBondContact OE1-CA 2.99Å; E151-Q180 PolarHBondContact OE1-N 3.2Å; E151-V181 HydrophobicContact CB-CB 4.3Å; E151-V181 HydrophobicContact CB-CG2 3.92Å; E151-V181 HydrophobicContact CG-CB 3.96Å; E151-V181 HydrophobicContact CG-CG2 4.11Å; E151-V181 PolarHBondContact OE1-N 3.44Å
152G97.7Very high96.1Very high32 Ų3244 Ų4433%0.3325%0.249SC..Hα-helixtrans-61.7-36.6175.400000113.1S148 E149 L150 Q155 S156S148-G152 PolarHBondContact O-N 3Å; S148-G152 VanDerWaalsContact O-N 3.11Å; E149-G152 PolarHBondContact O-N 3.5Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-G152 PolarHBondContact O-N 3.23Å; G152-Q155 PolarHBondContact O-N 2.84Å; G152-S156 WeakPolarHBondContact O-CB 3.35Å; G152-S156 PolarHBondContact O-N 2.9Å; G152-S156 PolarHBondContact O-OG 2.88Å
153L97.8Very high96.5Very high7 Ų739.9 Ų39.94%0.03723%0.227CC..Hα-helixtrans-70.8-30.6175.7-69170.5000112.9I106 K107 V110 E149 L150 E151 S156 H157 K158 I159I106-L153 HydrophobicContact CG2-CD1 4.15Å; K107-L153 HydrophobicContact CB-CD2 4.47Å; K107-L153 HydrophobicContact CG-CD2 4.18Å; V110-L153 HydrophobicContact CB-CD1 4.06Å; V110-L153 HydrophobicContact CG1-CD1 4.34Å; V110-L153 HydrophobicContact CG1-CD2 4.47Å; V110-L153 HydrophobicContact CG2-CD1 3.88Å; E149-L153 WeakPolarHBondContact O-CG 3.23Å; E149-L153 PolarHBondContact O-N 3.37Å; L150-L153 HydrophobicContact CD2-CD1 4.49Å; L150-L153 PolarHBondContact O-N 2.84Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.42Å; L153-S156 WeakPolarHBondContact CA-OG 3.38Å; L153-S156 PolarHBondContact O-OG 2.8Å; L153-H157 PolarHBondContact O-N 3.3Å; L153-K158 HydrophobicContact CB-CB 4.42Å; L153-K158 HydrophobicContact CD2-CB 4.13Å; L153-K158 HydrophobicContact CD2-CG 4.36Å; L153-K158 WeakPolarHBondContact O-CB 3.35Å; L153-K158 PolarHBondContact O-N 2.95Å; L153-I159 HydrophobicContact CB-CD1 3.4Å; L153-I159 HydrophobicContact CB-CG1 3.93Å; L153-I159 HydrophobicContact CD1-CD1 3.85Å; L153-I159 HydrophobicContact CG-CD1 4.26Å; L153-I159 PolarHBondContact O-N 3.47Å
154V98.4Very high96.8Very high29 Ų2939.6 Ų39.618%0.17623%0.225CC..Hα-helixtrans-70.2-46.8170.5173.80000110.7L150 E151 S156 H157 I159 I162 V181L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 2.98Å; E151-V154 PolarHBondContact O-N 2.84Å; V154-S156 VanDerWaalsContact C-N 3.27Å; V154-S156 PolarHBondContact O-N 2.8Å; V154-H157 WeakPolarHBondContact O-CA 3.05Å; V154-H157 PolarHBondContact O-N 3.24Å; V154-I159 WeakPolarHBondContact CA-O 3.49Å; V154-I159 HydrophobicContact CG2-CB 4.05Å; V154-I159 HydrophobicContact CG2-CG2 4.25Å; V154-I162 HydrophobicContact CG2-CD1 4.29Å; V154-I162 HydrophobicContact CG2-CG1 4.27Å; V154-I162 HydrophobicContact CG2-CG2 3.55Å; V154-V181 HydrophobicContact CB-CG1 4.32Å; V154-V181 HydrophobicContact CB-CG2 4.43Å; V154-V181 HydrophobicContact CG1-CG1 4.04Å; V154-V181 HydrophobicContact CG1-CG2 4.35Å; V154-V181 HydrophobicContact CG2-CG1 4.25Å
155Q98.1Very high96.9Very high128 Ų12837.4 Ų37.460%0.59822%0.215SC*.Hα-helixtrans-62.1-34.7179-69.1168.91500112.6E151 G152 H157E151-Q155 VanDerWaalsContact O-CG 3.28Å; E151-Q155 WeakPolarHBondContact O-CG 3.21Å; E151-Q155 PolarHBondContact O-N 2.87Å; G152-Q155 PolarHBondContact O-N 2.84Å; Q155-H157 PolarHBondContact O-CE1 2.84Å; Q155-H157 PolarHBondContact O-N 2.88Å; Q155-H157 PolarHBondContact O-ND1 3.08Å
156S97.2Very high96.9Very high69 Ų6938.6 Ų38.648%0.48322%0.219SC..THydrogen-bonded Turntrans-82.47.5174.259.90000114.2G152 L153 V154 K158G152-S156 WeakPolarHBondContact O-CB 3.35Å; G152-S156 PolarHBondContact O-N 2.9Å; G152-S156 PolarHBondContact O-OG 2.88Å; L153-S156 WeakPolarHBondContact CA-OG 3.38Å; L153-S156 PolarHBondContact O-OG 2.8Å; V154-S156 VanDerWaalsContact C-N 3.27Å; V154-S156 PolarHBondContact O-N 2.8Å; S156-K158 PolarHBondContact O-N 2.91Å
157H97.7Very high97Very high136 Ų13638.3 Ų38.363%0.6322%0.216SC*.THydrogen-bonded Turntrans61.120.8178-56.670.2000114.5Q121 L153 V154 Q155Q121-H157 WeakPolarHBondContact CB-O 3.39Å; Q121-H157 VanDerWaalsContact CG-O 3.27Å; Q121-H157 WeakPolarHBondContact CG-O 3.33Å; Q121-H157 PolarHBondContact NE2-O 3.31Å; L153-H157 PolarHBondContact O-N 3.3Å; V154-H157 WeakPolarHBondContact O-CA 3.05Å; V154-H157 PolarHBondContact O-N 3.24Å; Q155-H157 PolarHBondContact O-CE1 2.84Å; Q155-H157 PolarHBondContact O-N 2.88Å; Q155-H157 PolarHBondContact O-ND1 3.08Å
158K98Very high96.8Very high67 Ų6742.7 Ų42.729%0.29124%0.24SC..SBendtrans-78.7-25.6172.4-71.8-74.9-172.9142.40112.5V110 D111 Q121 L122 L153 S156V110-K158 HydrophobicContact CG1-CB 4.38Å; D111-K158 IonicContact OD1-NZ 3.92Å; D111-K158 PolarHBondContact OD1-NZ 2.93Å; Q121-K158 WeakPolarHBondContact CA-O 3.31Å; L122-K158 PolarHBondContact N-O 2.77Å; L153-K158 HydrophobicContact CB-CB 4.42Å; L153-K158 HydrophobicContact CD2-CB 4.13Å; L153-K158 HydrophobicContact CD2-CG 4.36Å; L153-K158 WeakPolarHBondContact O-CB 3.35Å; L153-K158 PolarHBondContact O-N 2.95Å; S156-K158 PolarHBondContact O-N 2.91Å
159I98.5Very high96.8Very high1 Ų142.8 Ų42.81%0.00523%0.234CC..BIsolated β-bridgetrans-130.7134.4177.5-53.9167.7000108.7V110 L122 V125 L150 L153 V154 T161 I162V110-I159 HydrophobicContact CG1-CD1 4.39Å; V110-I159 HydrophobicContact CG1-CG1 4.07Å; V110-I159 HydrophobicContact CG2-CD1 4.21Å; L122-I159 CarbonylContact O-C 3.54Å; L122-I159 WeakPolarHBondContact O-CA 3.48Å; V125-I159 HydrophobicContact CB-CD1 4.07Å; V125-I159 HydrophobicContact CB-CG2 4.12Å; V125-I159 HydrophobicContact CG2-CB 4.29Å; V125-I159 HydrophobicContact CG2-CD1 3.51Å; V125-I159 HydrophobicContact CG2-CG1 3.62Å; V125-I159 HydrophobicContact CG2-CG2 3.67Å; L150-I159 HydrophobicContact CD2-CD1 3.92Å; L153-I159 HydrophobicContact CB-CD1 3.4Å; L153-I159 HydrophobicContact CB-CG1 3.93Å; L153-I159 HydrophobicContact CD1-CD1 3.85Å; L153-I159 HydrophobicContact CG-CD1 4.26Å; L153-I159 PolarHBondContact O-N 3.47Å; V154-I159 WeakPolarHBondContact CA-O 3.49Å; V154-I159 HydrophobicContact CG2-CB 4.05Å; V154-I159 HydrophobicContact CG2-CG2 4.25Å; I159-T161 WeakPolarHBondContact CG2-O 3.3Å; I159-I162 HydrophobicContact CB-CG2 4.44Å; I159-I162 HydrophobicContact CD1-CG2 4.16Å; I159-I162 HydrophobicContact CG2-CG2 3.71Å
160A98.4Very high96.8Very high45 Ų4545.2 Ų45.237%0.37225%0.245SC..SBendtrans-81.4-41.5174.600000112.6L122L122-A160 PolarHBondContact O-N 3.37Å
161T98.4Very high96.8Very high56 Ų5645.8 Ų45.834%0.34425%0.248SC..  trans-141.5148.8-179.462.30000112.5D123 S124 V125 I159 S184D123-T161 PolarHBondContact O-N 2.74Å; D123-T161 PolarHBondContact O-OG1 2.76Å; S124-T161 CarbonylContact C-O 3.55Å; S124-T161 VanDerWaalsContact CA-O 3.26Å; S124-T161 WeakPolarHBondContact CA-O 3.4Å; S124-T161 VanDerWaalsContact CB-OG1 3.31Å; S124-T161 WeakPolarHBondContact CB-OG1 3.48Å; V125-T161 PolarHBondContact N-O 2.73Å; I159-T161 WeakPolarHBondContact CG2-O 3.3Å; T161-S184 WeakPolarHBondContact CB-OG 3.39Å
162I98.7Very high96.7Very high2 Ų245 Ų451%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-126.5145.8-179.357.9173.7000110.7V125 W147 L150 V154 I159 V181 P183 S184V125-I162 CarbonylContact O-C 3.48Å; V125-I162 VanDerWaalsContact O-CA 3.3Å; V125-I162 WeakPolarHBondContact O-CA 3.08Å; W147-I162 HydrophobicContact CD2-CD1 4.31Å; W147-I162 HydrophobicContact CH2-CB 4.16Å; W147-I162 HydrophobicContact CH2-CD1 3.83Å; W147-I162 HydrophobicContact CH2-CG1 3.77Å; W147-I162 HydrophobicContact CZ2-CD1 3.41Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.41Å; W147-I162 HydrophobicContact CZ2-CG1 3.68Å; W147-I162 HydrophobicContact CZ3-CD1 4.44Å; L150-I162 HydrophobicContact CB-CD1 3.93Å; L150-I162 HydrophobicContact CB-CG2 4.08Å; L150-I162 HydrophobicContact CD2-CG2 4.42Å; V154-I162 HydrophobicContact CG2-CD1 4.29Å; V154-I162 HydrophobicContact CG2-CG1 4.27Å; V154-I162 HydrophobicContact CG2-CG2 3.55Å; I159-I162 HydrophobicContact CB-CG2 4.44Å; I159-I162 HydrophobicContact CD1-CG2 4.16Å; I159-I162 HydrophobicContact CG2-CG2 3.71Å; I162-V181 HydrophobicContact CD1-CB 4.08Å; I162-V181 HydrophobicContact CD1-CG1 3.77Å; I162-V181 HydrophobicContact CG1-CG1 3.96Å; I162-P183 WeakPolarHBondContact O-CA 3.48Å; I162-S184 PolarHBondContact O-N 2.81Å; I162-S184 PolarHBondContact O-OG 2.87Å
163G98.3Very high96.8Very high0 Ų046.3 Ų46.30%024%0.242CC..EExtended strand (participates in β ladder)trans-149.1174.1-179.200000112.7V125 I126 I127 S185V125-G163 PolarHBondContact O-N 2.83Å; I126-G163 WeakPolarHBondContact CA-O 3.35Å; I127-G163 PolarHBondContact N-O 2.66Å; G163-S185 CarbonylContact C-O 3.56Å; G163-S185 WeakPolarHBondContact CA-O 3.39Å
164T96.7Very high96.8Very high2 Ų249.5 Ų49.51%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-117.4165.1-174.4550000112.1I127 W147 L167 L175 S185 N186 Q187I127-T164 HydrophobicContact CG2-CG2 4.33Å; I127-T164 CarbonylContact O-C 3.54Å; W147-T164 HydrophobicContact CE3-CG2 4.08Å; W147-T164 HydrophobicContact CH2-CG2 3.93Å; W147-T164 HydrophobicContact CZ3-CG2 3.37Å; T164-L167 HydrophobicContact CG2-CD1 3.68Å; T164-L167 HydrophobicContact CG2-CG 4.3Å; T164-L175 HydrophobicContact CG2-CD2 3.55Å; T164-S185 PolarHBondContact N-O 2.89Å; T164-N186 CarbonylContact O-C 3.59Å; T164-N186 WeakPolarHBondContact O-CA 3.35Å; T164-N186 PolarHBondContact O-OD1 2.93Å; T164-N186 PolarHBondContact OG1-OD1 2.67Å; T164-Q187 PolarHBondContact O-N 2.87Å
165S94.6Very high96.8Very high2 Ų248.1 Ų48.11%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-119.1135.5169.8-160.80000109.5K95 I127 L167 H214K95-S165 WeakPolarHBondContact CE-OG 3.23Å; K95-S165 PolarHBondContact NZ-OG 2.7Å; I127-S165 PolarHBondContact O-N 3.44Å; S165-L167 VanDerWaalsContact C-N 3.26Å; S165-L167 PolarHBondContact O-N 2.99Å; S165-H214 PolarHBondContact OG-NE2 3.26Å
166D92.4Very high96.8Very high76 Ų7643.9 Ų43.941%0.40623%0.227SC..SBendtrans59.928166.9-56.6-64.6000115.4Q187 N189 H214D166-Q187 WeakPolarHBondContact CA-O 3.33Å; D166-Q187 PolarHBondContact N-O 3.47Å; D166-N189 VanDerWaalsContact OD1-CB 3.23Å; D166-N189 WeakPolarHBondContact OD1-CB 3.3Å; D166-N189 PolarHBondContact OD1-N 2.72Å; D166-H214 IonicContact OD1-CE1 3.3Å; D166-H214 IonicContact OD1-NE2 3.41Å; D166-H214 PolarHBondContact OD1-NE2 3.4Å; D166-H214 VanDerWaalsContact OD1-NE2 3.08Å; D166-H214 IonicContact OD2-CE1 3.11Å; D166-H214 PolarHBondContact OD2-CE1 3.05Å; D166-H214 IonicContact OD2-NE2 3.36Å; D166-H214 PolarHBondContact OD2-NE2 2.95Å; D166-H214 VanDerWaalsContact OD2-NE2 3.12Å
167L93.4Very high96.8Very high4 Ų445.8 Ų45.82%0.02123%0.232CC..  trans-78.1133167.7-54.8-165.9000109.9L143 T164 S165 L171 L172 L175 N186L143-L167 HydrophobicContact CD1-CD1 3.91Å; L143-L167 HydrophobicContact CD1-CD2 3.8Å; T164-L167 HydrophobicContact CG2-CD1 3.68Å; T164-L167 HydrophobicContact CG2-CG 4.3Å; S165-L167 VanDerWaalsContact C-N 3.26Å; S165-L167 PolarHBondContact O-N 2.99Å; L167-L171 HydrophobicContact CD1-CG 4.43Å; L167-L171 HydrophobicContact CD2-CD2 3.79Å; L167-L171 HydrophobicContact CD2-CG 4.14Å; L167-L172 HydrophobicContact CB-CB 4.06Å; L167-L172 HydrophobicContact CD1-CB 4.48Å; L167-L172 HydrophobicContact CD1-CD1 4.27Å; L167-L175 HydrophobicContact CD1-CD2 3.83Å; L167-N186 PolarHBondContact N-OD1 3.35Å; L167-N186 PolarHBondContact O-ND2 3.28Å
168D93.1Very high96.9Very high95 Ų9543.6 Ų43.651%0.50822%0.218SC..  trans-71.3177.5164.866.227.9000111.2E170 L171 L172D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 PolarHBondContact O-N 3.04Å; D168-E170 PolarHBondContact OD1-N 2.98Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; D168-L171 WeakPolarHBondContact OD1-CB 3.3Å; D168-L171 PolarHBondContact OD1-N 3.05Å; D168-L172 WeakPolarHBondContact O-CB 3.47Å; D168-L172 PolarHBondContact O-N 3.31Å
169K94.6Very high96.9Very high56 Ų5640.5 Ų40.524%0.24321%0.205CC..Hα-helixtrans-60.9-43.6-178.5-176.2-91.3172.9-174.80112E173 D199 L200 F203K169-E173 IonicContact NZ-OE1 2.6Å; K169-E173 PolarHBondContact NZ-OE1 2.9Å; K169-E173 VanDerWaalsContact NZ-OE1 3.07Å; K169-E173 IonicContact NZ-OE2 3.21Å; K169-E173 PolarHBondContact NZ-OE2 3.4Å; K169-E173 VanDerWaalsContact O-CB 3.25Å; K169-E173 WeakPolarHBondContact O-CB 3.27Å; K169-E173 PolarHBondContact O-N 2.81Å; K169-D199 HydrophobicContact CG-CB 4.45Å; K169-L200 HydrophobicContact CB-CB 4.21Å; K169-L200 HydrophobicContact CB-CD1 4.33Å; K169-F203 HydrophobicContact CG-CB 4.24Å
170E96Very high96.9Very high125 Ų12547.8 Ų47.858%0.58424%0.239SC*.Hα-helixtrans-66.1-49.2-174.1-176.7176.4173.400110.7D168 E173 Q174D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 PolarHBondContact O-N 3.04Å; D168-E170 PolarHBondContact OD1-N 2.98Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; E170-E173 PolarHBondContact O-N 2.86Å; E170-Q174 VanDerWaalsContact O-CG 3.3Å; E170-Q174 WeakPolarHBondContact O-CG 3.26Å; E170-Q174 PolarHBondContact O-N 3.04Å; E170-Q174 PolarHBondContact OE1-NE2 2.73Å
171L96.1Very high96.9Very high12 Ų1247.2 Ų47.26%0.06323%0.231CC..Hα-helixtrans-70.9-36.9-179-173.154.4000112.2Q138 L140 L143 L167 D168 E173 Q174 L175Q138-L171 HydrophobicContact CB-CD2 3.9Å; Q138-L171 HydrophobicContact CG-CD2 3.98Å; Q138-L171 WeakPolarHBondContact O-CD2 3.35Å; L140-L171 HydrophobicContact CB-CD1 4.22Å; L143-L171 HydrophobicContact CD1-CD1 4.1Å; L143-L171 HydrophobicContact CD1-CD2 3.99Å; L143-L171 HydrophobicContact CD1-CG 3.96Å; L167-L171 HydrophobicContact CD1-CG 4.43Å; L167-L171 HydrophobicContact CD2-CD2 3.79Å; L167-L171 HydrophobicContact CD2-CG 4.14Å; D168-L171 WeakPolarHBondContact OD1-CB 3.3Å; D168-L171 PolarHBondContact OD1-N 3.05Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-Q174 PolarHBondContact O-N 3.49Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 PolarHBondContact O-N 2.67Å
172L97.3Very high96.9Very high0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-62.4-41.8173.6-179.162.7000111.4L167 D168 L175 Y176 P183 N186 L200 F203 I209L167-L172 HydrophobicContact CB-CB 4.06Å; L167-L172 HydrophobicContact CD1-CB 4.48Å; L167-L172 HydrophobicContact CD1-CD1 4.27Å; D168-L172 WeakPolarHBondContact O-CB 3.47Å; D168-L172 PolarHBondContact O-N 3.31Å; L172-L175 PolarHBondContact O-N 2.93Å; L172-Y176 VanDerWaalsContact O-CB 3.23Å; L172-Y176 WeakPolarHBondContact O-CB 3.42Å; L172-Y176 PolarHBondContact O-N 3.02Å; L172-P183 HydrophobicContact CD1-CB 4.36Å; L172-P183 HydrophobicContact CD1-CG 3.92Å; L172-N186 HydrophobicContact CD1-CB 4.26Å; L172-N186 HydrophobicContact CD2-CB 4.04Å; L172-L200 HydrophobicContact CD2-CD1 3.67Å; L172-F203 HydrophobicContact CD2-CD1 4.16Å; L172-F203 HydrophobicContact CD2-CE1 4.32Å; L172-F203 HydrophobicContact CG-CD1 4.41Å; L172-F203 HydrophobicContact CG-CE1 4.11Å; L172-I209 HydrophobicContact CD1-CD1 4.35Å; L172-I209 HydrophobicContact CD2-CD1 4.05Å; L172-I209 HydrophobicContact CG-CD1 4.23Å
173E98.3Very high96.8Very high61 Ų6148.4 Ų48.429%0.28523%0.231SC..Hα-helixtrans-66.7-43.5176.9177.5176.4-124.100112K169 E170 L171 L175 Y176 N177 F203K169-E173 IonicContact NZ-OE1 2.6Å; K169-E173 PolarHBondContact NZ-OE1 2.9Å; K169-E173 VanDerWaalsContact NZ-OE1 3.07Å; K169-E173 IonicContact NZ-OE2 3.21Å; K169-E173 PolarHBondContact NZ-OE2 3.4Å; K169-E173 VanDerWaalsContact O-CB 3.25Å; K169-E173 WeakPolarHBondContact O-CB 3.27Å; K169-E173 PolarHBondContact O-N 2.81Å; E170-E173 PolarHBondContact O-N 2.86Å; L171-E173 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 2.79Å; E173-Y176 PolarHBondContact O-N 3.39Å; E173-N177 WeakPolarHBondContact O-CB 3.45Å; E173-N177 VanDerWaalsContact O-CG 3.27Å; E173-N177 PolarHBondContact O-N 3.36Å; E173-N177 PolarHBondContact O-ND2 3.39Å; E173-N177 VanDerWaalsContact O-ND2 3.11Å; E173-F203 HydrophobicContact CB-CD2 4.37Å; E173-F203 HydrophobicContact CB-CE1 4.2Å; E173-F203 HydrophobicContact CB-CE2 3.74Å; E173-F203 HydrophobicContact CB-CZ 3.66Å; E173-F203 HydrophobicContact CG-CD2 4.39Å; E173-F203 HydrophobicContact CG-CE2 3.58Å; E173-F203 HydrophobicContact CG-CZ 3.86Å
174Q98.3Very high96.9Very high74 Ų7450.4 Ų50.435%0.34625%0.245SC..Hα-helixtrans-57.8-48.5174.1-74178.32100111.4L140 E170 L171 N177 W178L140-Q174 HydrophobicContact CD2-CB 4.3Å; E170-Q174 VanDerWaalsContact O-CG 3.3Å; E170-Q174 WeakPolarHBondContact O-CG 3.26Å; E170-Q174 PolarHBondContact O-N 3.04Å; E170-Q174 PolarHBondContact OE1-NE2 2.73Å; L171-Q174 PolarHBondContact O-N 3.49Å; Q174-N177 PolarHBondContact O-N 2.58Å; Q174-W178 WeakPolarHBondContact O-CB 3.39Å; Q174-W178 PolarHBondContact O-N 2.77Å; Q174-W178 VanDerWaalsContact O-N 3.1Å
175L98.3Very high96.9Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-61.5-47.4176.6179.766.4000111.3L140 W147 T164 L167 L171 L172 E173 N177 W178 A179L140-L175 HydrophobicContact CD1-CB 4.08Å; L140-L175 HydrophobicContact CD1-CD1 3.95Å; W147-L175 HydrophobicContact CB-CD1 4.2Å; W147-L175 HydrophobicContact CD2-CD1 3.99Å; W147-L175 HydrophobicContact CD2-CD2 4.08Å; W147-L175 HydrophobicContact CD2-CG 4.41Å; W147-L175 HydrophobicContact CE3-CD2 4Å; W147-L175 HydrophobicContact CG-CD1 3.79Å; W147-L175 HydrophobicContact CH2-CD2 4.43Å; W147-L175 HydrophobicContact CZ2-CD2 4.47Å; W147-L175 HydrophobicContact CZ3-CD2 4.19Å; T164-L175 HydrophobicContact CG2-CD2 3.55Å; L167-L175 HydrophobicContact CD1-CD2 3.83Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 PolarHBondContact O-N 2.67Å; L172-L175 PolarHBondContact O-N 2.93Å; E173-L175 PolarHBondContact O-N 2.79Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 3.01Å; L175-W178 HydrophobicContact CD1-CE3 4.01Å; L175-W178 HydrophobicContact CD1-CZ3 4.16Å; L175-W178 PolarHBondContact O-N 3.33Å; L175-A179 WeakPolarHBondContact O-CB 3.27Å; L175-A179 PolarHBondContact O-N 2.78Å
176Y98.4Very high97.1Very high39 Ų3950.5 Ų50.515%0.15325%0.246CC..Hα-helixtrans-58.6-43179.9-172.8-83.3000111.6L172 E173 K182 P183 F203 F207 I209L172-Y176 VanDerWaalsContact O-CB 3.23Å; L172-Y176 WeakPolarHBondContact O-CB 3.42Å; L172-Y176 PolarHBondContact O-N 3.02Å; E173-Y176 PolarHBondContact O-N 3.39Å; Y176-K182 HydrophobicContact CD1-CD 4.25Å; Y176-K182 HydrophobicContact CD2-CB 4.05Å; Y176-K182 HydrophobicContact CD2-CD 4.21Å; Y176-K182 HydrophobicContact CD2-CG 4.4Å; Y176-K182 HydrophobicContact CE1-CD 4.08Å; Y176-K182 HydrophobicContact CE1-CG 4.45Å; Y176-K182 HydrophobicContact CE2-CB 3.64Å; Y176-K182 HydrophobicContact CE2-CD 4.08Å; Y176-K182 HydrophobicContact CE2-CG 3.87Å; Y176-K182 HydrophobicContact CG-CD 4.29Å; Y176-K182 VanDerWaalsContact O-CD 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.49Å; Y176-K182 WeakPolarHBondContact O-CE 3.45Å; Y176-K182 PolarHBondContact O-NZ 3.11Å; Y176-P183 HydrophobicContact CD2-CG 4.04Å; Y176-F203 HydrophobicContact CD1-CZ 4.46Å; Y176-F203 HydrophobicContact CG-CZ 4.24Å; Y176-F207 HydrophobicContact CD1-CD1 4.3Å; Y176-F207 HydrophobicContact CD2-CB 4.45Å; Y176-F207 HydrophobicContact CE1-CB 4.33Å; Y176-F207 AromaticContact CE1-CD1 3.47Å; Y176-F207 HydrophobicContact CE1-CD1 3.47Å; Y176-F207 VanDerWaalsContact CE1-CD1 3.47Å; Y176-F207 AromaticContact CE1-CE1 3.97Å; Y176-F207 HydrophobicContact CE1-CE1 3.97Å; Y176-F207 AromaticContact CE1-CG 3.99Å; Y176-F207 HydrophobicContact CE1-CG 3.99Å; Y176-F207 HydrophobicContact CE2-CB 3.77Å; Y176-F207 HydrophobicContact CE2-CD1 4.41Å; Y176-F207 HydrophobicContact CE2-CG 4.31Å; Y176-F207 AromaticContact CZ-CD1 3.53Å; Y176-F207 AromaticContact CZ-CG 3.86Å; Y176-F207 WeakPolarHBondContact OH-CD1 3.45Å; Y176-I209 HydrophobicContact CD2-CD1 3.74Å; Y176-I209 HydrophobicContact CD2-CG1 4.4Å; Y176-I209 HydrophobicContact CE2-CD1 4.1Å; Y176-I209 HydrophobicContact CE2-CG1 4.32Å
177N98.2Very high97.2Very high108 Ų10847.9 Ų47.958%0.57823%0.231SC*.Hα-helixtrans-69-38.2-179.4-73.6-33.7000112.5E173 Q174 L175E173-N177 WeakPolarHBondContact O-CB 3.45Å; E173-N177 VanDerWaalsContact O-CG 3.27Å; E173-N177 PolarHBondContact O-N 3.36Å; E173-N177 PolarHBondContact O-ND2 3.39Å; E173-N177 VanDerWaalsContact O-ND2 3.11Å; Q174-N177 PolarHBondContact O-N 2.58Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 3.01Å
178W98.6Very high97.1Very high91 Ų9148.4 Ų48.435%0.34524%0.235SC..Hα-helixtrans-77.3-40.7-179.4170.284.4000113.5L140 Q144 W147 Q174 L175L140-W178 HydrophobicContact CD1-CE3 4.43Å; L140-W178 HydrophobicContact CD2-CB 4.08Å; L140-W178 HydrophobicContact CD2-CG 4.27Å; Q144-W178 HydrophobicContact CB-CH2 3.7Å; Q144-W178 HydrophobicContact CB-CZ2 3.81Å; Q144-W178 HydrophobicContact CB-CZ3 4.24Å; Q144-W178 HydrophobicContact CG-CD2 3.94Å; Q144-W178 HydrophobicContact CG-CE3 4.04Å; Q144-W178 HydrophobicContact CG-CH2 3.67Å; Q144-W178 HydrophobicContact CG-CZ2 3.55Å; Q144-W178 HydrophobicContact CG-CZ3 3.91Å; Q144-W178 VanDerWaalsContact NE2-NE1 3.2Å; W147-W178 HydrophobicContact CB-CZ3 4.07Å; W147-W178 AromaticContact CD1-CZ3 3.77Å; W147-W178 HydrophobicContact CG-CZ3 4.2Å; Q174-W178 WeakPolarHBondContact O-CB 3.39Å; Q174-W178 PolarHBondContact O-N 2.77Å; Q174-W178 VanDerWaalsContact O-N 3.1Å; L175-W178 HydrophobicContact CD1-CE3 4.01Å; L175-W178 HydrophobicContact CD1-CZ3 4.16Å; L175-W178 PolarHBondContact O-N 3.33Å
179A98.3Very high96.9Very high2 Ų244.6 Ų44.62%0.01721%0.214CC..  trans-65143.8-171.100000113.5W147 E151 L175 V181 K182W147-A179 VanDerWaalsContact NE1-CB 3.3Å; E151-A179 WeakPolarHBondContact OE1-CA 3.48Å; E151-A179 WeakPolarHBondContact OE1-CB 3.44Å; L175-A179 WeakPolarHBondContact O-CB 3.27Å; L175-A179 PolarHBondContact O-N 2.78Å; A179-V181 WeakPolarHBondContact CB-O 3.13Å; A179-K182 WeakPolarHBondContact O-CE 3.25Å; A179-K182 PolarHBondContact O-NZ 2.91Å
180Q98.1Very high96.4Very high153 Ų15345.9 Ų45.972%0.71522%0.223SC*.SBendtrans-78.7-44.2169.3-61-57.7-54.300111E151E151-Q180 WeakPolarHBondContact OE1-CA 2.99Å; E151-Q180 PolarHBondContact OE1-N 3.2Å
181V98.4Very high95.6Very high33 Ų3344.5 Ų44.520%0.223%0.233CC..SBendtrans-97.6112.5171.7-177.30000107.9W147 E151 V154 I162 A179W147-V181 PolarHBondContact NE1-O 3.12Å; E151-V181 HydrophobicContact CB-CB 4.3Å; E151-V181 HydrophobicContact CB-CG2 3.92Å; E151-V181 HydrophobicContact CG-CB 3.96Å; E151-V181 HydrophobicContact CG-CG2 4.11Å; E151-V181 PolarHBondContact OE1-N 3.44Å; V154-V181 HydrophobicContact CB-CG1 4.32Å; V154-V181 HydrophobicContact CB-CG2 4.43Å; V154-V181 HydrophobicContact CG1-CG1 4.04Å; V154-V181 HydrophobicContact CG1-CG2 4.35Å; V154-V181 HydrophobicContact CG2-CG1 4.25Å; I162-V181 HydrophobicContact CD1-CB 4.08Å; I162-V181 HydrophobicContact CD1-CG1 3.77Å; I162-V181 HydrophobicContact CG1-CG1 3.96Å; A179-V181 WeakPolarHBondContact CB-O 3.13Å
182K98.3Very high94.3Very high81 Ų8148.5 Ų48.535%0.35226%0.262SS..  trans-70.7142.4-174.7-54.6-53.5-176.5-1740111.4Y176 A179 S184Y176-K182 HydrophobicContact CD1-CD 4.25Å; Y176-K182 HydrophobicContact CD2-CB 4.05Å; Y176-K182 HydrophobicContact CD2-CD 4.21Å; Y176-K182 HydrophobicContact CD2-CG 4.4Å; Y176-K182 HydrophobicContact CE1-CD 4.08Å; Y176-K182 HydrophobicContact CE1-CG 4.45Å; Y176-K182 HydrophobicContact CE2-CB 3.64Å; Y176-K182 HydrophobicContact CE2-CD 4.08Å; Y176-K182 HydrophobicContact CE2-CG 3.87Å; Y176-K182 HydrophobicContact CG-CD 4.29Å; Y176-K182 VanDerWaalsContact O-CD 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.49Å; Y176-K182 WeakPolarHBondContact O-CE 3.45Å; Y176-K182 PolarHBondContact O-NZ 3.11Å; A179-K182 WeakPolarHBondContact O-CE 3.25Å; A179-K182 PolarHBondContact O-NZ 2.91Å; K182-S184 PolarHBondContact O-N 2.83Å
183P98.3Very high92.7Very high3 Ų350.5 Ų50.52%0.01928%0.276CS..  trans-61.2121.9171.724.4-32.1000109.4W147 I162 L172 Y176 S185W147-P183 HydrophobicContact CH2-CB 3.57Å; W147-P183 HydrophobicContact CZ2-CB 3.74Å; W147-P183 HydrophobicContact CZ2-CG 4.31Å; I162-P183 WeakPolarHBondContact O-CA 3.48Å; L172-P183 HydrophobicContact CD1-CB 4.36Å; L172-P183 HydrophobicContact CD1-CG 3.92Å; Y176-P183 HydrophobicContact CD2-CG 4.04Å; P183-S185 VanDerWaalsContact C-N 3.33Å
184S98.4Very high91.2Very high41 Ų4153.7 Ų53.729%0.28730%0.304SS..SBendtrans-85.1-12.5177.374.20000112.6T161 I162 K182 Q210T161-S184 WeakPolarHBondContact CB-OG 3.39Å; I162-S184 PolarHBondContact O-N 2.81Å; I162-S184 PolarHBondContact O-OG 2.87Å; K182-S184 PolarHBondContact O-N 2.83Å; S184-Q210 PolarHBondContact O-N 3Å
185S98.3Very high90.2Very high6 Ų655.6 Ų55.64%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-153153.4179.158.40000112G163 T164 P183 Q210G163-S185 CarbonylContact C-O 3.56Å; G163-S185 WeakPolarHBondContact CA-O 3.39Å; T164-S185 PolarHBondContact N-O 2.89Å; P183-S185 VanDerWaalsContact C-N 3.33Å; S185-Q210 CarbonylContact C-O 3.46Å; S185-Q210 WeakPolarHBondContact CA-O 3.28Å; S185-Q210 VanDerWaalsContact CB-O 3.25Å; S185-Q210 WeakPolarHBondContact CB-O 3.22Å
186N97.3Very high89.5Confident0 Ų057.9 Ų57.90%033%0.331CS..EExtended strand (participates in β ladder)trans-134.3128.1168.4-175.145.5000108.9T164 L167 L172 I209 Q210 L211 L212T164-N186 CarbonylContact O-C 3.59Å; T164-N186 WeakPolarHBondContact O-CA 3.35Å; T164-N186 PolarHBondContact O-OD1 2.93Å; T164-N186 PolarHBondContact OG1-OD1 2.67Å; L167-N186 PolarHBondContact N-OD1 3.35Å; L167-N186 PolarHBondContact O-ND2 3.28Å; L172-N186 HydrophobicContact CD1-CB 4.26Å; L172-N186 HydrophobicContact CD2-CB 4.04Å; N186-I209 HydrophobicContact CB-CG2 4.33Å; N186-Q210 PolarHBondContact N-O 3.1Å; N186-L211 HydrophobicContact CB-CD2 3.96Å; N186-L211 WeakPolarHBondContact O-CA 3.44Å; N186-L212 PolarHBondContact O-N 2.79Å
187Q95.4Very high88.9Confident22 Ų2258.1 Ų58.110%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-87.7144.5175.1-90.5-174.3-3.200111.2I126 T164 D166 L212I126-Q187 HydrophobicContact CD1-CG 4Å; T164-Q187 PolarHBondContact O-N 2.87Å; D166-Q187 WeakPolarHBondContact CA-O 3.33Å; D166-Q187 PolarHBondContact N-O 3.47Å; Q187-L212 CarbonylContact C-O 3.55Å; Q187-L212 VanDerWaalsContact CA-O 3.3Å; Q187-L212 WeakPolarHBondContact CA-O 3.43Å; Q187-L212 HydrophobicContact CG-CB 3.64Å; Q187-L212 HydrophobicContact CG-CD1 4.42Å
188V92.1Very high88.7Confident15 Ų1558.1 Ų58.19%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-127.7129.3175.3178.80000110.5L190 M196 L200 L212 T213 H214V188-L190 PolarHBondContact O-N 3.01Å; V188-M196 HydrophobicContact CB-CE 3.83Å; V188-M196 HydrophobicContact CB-SD 3.68Å; V188-M196 HydrophobicContact CG1-CE 4.31Å; V188-M196 HydrophobicContact CG1-SD 3.74Å; V188-M196 HydrophobicContact CG2-CE 3.4Å; V188-M196 VanDerWaalsContact CG2-CE 3.4Å; V188-M196 HydrophobicContact CG2-SD 3.94Å; V188-L200 HydrophobicContact CG2-CD2 3.91Å; V188-L212 PolarHBondContact N-O 2.95Å; V188-T213 WeakPolarHBondContact O-CA 3.49Å; V188-H214 PolarHBondContact O-CD2 3.22Å; V188-H214 PolarHBondContact O-N 3.48Å
189N89Confident88.5Confident15 Ų1558.1 Ų58.18%0.0835%0.35CS..EExtended strand (participates in β ladder)trans-71.4122.7179.4-163.3-30.7000112.3D166 A191 S192 C193 H214 D216D166-N189 VanDerWaalsContact OD1-CB 3.23Å; D166-N189 WeakPolarHBondContact OD1-CB 3.3Å; D166-N189 PolarHBondContact OD1-N 2.72Å; N189-A191 PolarHBondContact O-N 3.29Å; N189-A191 WeakPolarHBondContact OD1-CB 3.33Å; N189-A191 PolarHBondContact OD1-N 2.89Å; N189-S192 PolarHBondContact O-N 3.17Å; N189-S192 VanDerWaalsContact O-N 3.07Å; N189-C193 PolarHBondContact O-N 3.42Å; N189-H214 WeakPolarHBondContact CA-O 3.36Å; N189-H214 PolarHBondContact N-NE2 3.11Å; N189-D216 PolarHBondContact ND2-O 3.47Å
190L83.1Confident88.3Confident83 Ų8358.2 Ų58.244%0.43535%0.35SS..THydrogen-bonded Turntrans-63.8-26.3177.8-67.8175.2000113.3V188 S192 T213 H214V188-L190 PolarHBondContact O-N 3.01Å; L190-S192 PolarHBondContact O-N 3.48Å; L190-T213 HydrophobicContact CD2-CG2 3.68Å; L190-T213 HydrophobicContact CG-CG2 4.38Å; L190-H214 PolarHBondContact N-O 3.38Å
191A78.8Confident88.2Confident96 Ų9653.7 Ų53.779%0.79333%0.333SS*.THydrogen-bonded Turntrans-67.5-27.8175.300000112.2N189N189-A191 PolarHBondContact O-N 3.29Å; N189-A191 WeakPolarHBondContact OD1-CB 3.33Å; N189-A191 PolarHBondContact OD1-N 2.89Å
192S69.1Low88.1Confident96 Ų9654.9 Ų54.967%0.67135%0.346SS*.THydrogen-bonded Turntrans-91.1-22.7-179-53.40000112.6N189 L190N189-S192 PolarHBondContact O-N 3.17Å; N189-S192 VanDerWaalsContact O-N 3.07Å; L190-S192 PolarHBondContact O-N 3.48Å
193C63.5Low88.1Confident42 Ų4251.4 Ų51.428%0.28433%0.331SS..  trans-157.1115.9-176.6-133.30000112.8N189 V195N189-C193 PolarHBondContact O-N 3.42Å; C193-V195 VanDerWaalsContact C-N 3.28Å; C193-V195 PolarHBondContact SG-O 3.48Å
194C66.6Low88.1Confident128 Ų12851.3 Ų51.387%0.86533%0.331SS*.SBendtrans-77-16.6170.1-60.80000112.8
195V78.1Confident88Confident113 Ų11357.9 Ų57.969%0.68535%0.354SS*.SBendtrans-134.3119-178.5-179.70000108.2C193C193-V195 VanDerWaalsContact C-N 3.28Å; C193-V195 PolarHBondContact SG-O 3.48Å
196M82.7Confident88Confident48 Ų4864.5 Ų64.524%0.23639%0.385CS..  trans-58135.1179.8-65.3-67.9-7000111.4V188 L200 L211V188-M196 HydrophobicContact CB-CE 3.83Å; V188-M196 HydrophobicContact CB-SD 3.68Å; V188-M196 HydrophobicContact CG1-CE 4.31Å; V188-M196 HydrophobicContact CG1-SD 3.74Å; V188-M196 HydrophobicContact CG2-CE 3.4Å; V188-M196 VanDerWaalsContact CG2-CE 3.4Å; V188-M196 HydrophobicContact CG2-SD 3.94Å; M196-L200 HydrophobicContact CE-CD2 4.19Å; M196-L211 HydrophobicContact CE-CB 3.87Å; M196-L211 HydrophobicContact CE-CD1 3.59Å; M196-L211 HydrophobicContact CE-CD2 4.33Å; M196-L211 HydrophobicContact CE-CG 4.13Å
197P87.2Confident88.1Confident45 Ų4567.7 Ų67.729%0.29240%0.399SS..  trans-55130175.8-26.334.5000111.5D199 L200 T201P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 PolarHBondContact O-N 3.04Å; P197-L200 HydrophobicContact CB-CB 4.01Å; P197-L200 PolarHBondContact O-N 2.94Å; P197-T201 PolarHBondContact O-N 3.15Å; P197-T201 PolarHBondContact O-OG1 3.22Å
198P92.3Very high88.2Confident108 Ų10873.7 Ų73.770%0.70143%0.431SS*.Hα-helixtrans-61.9-34.9-176.2-26.535000114.1T201 A202P198-T201 PolarHBondContact O-N 3.47Å; P198-A202 WeakPolarHBondContact O-CB 3.38Å; P198-A202 PolarHBondContact O-N 3.48Å
199D94.9Very high88.5Confident90 Ų9073.4 Ų73.448%0.48143%0.429SS..Hα-helixtrans-68.4-45.5177.360.5-26.6000112K169 P197 T201 A202 F203K169-D199 HydrophobicContact CG-CB 4.45Å; P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 PolarHBondContact O-N 3.04Å; D199-T201 VanDerWaalsContact C-N 3.28Å; D199-T201 PolarHBondContact O-N 2.71Å; D199-A202 PolarHBondContact O-N 3.02Å; D199-F203 WeakPolarHBondContact O-CB 3.32Å; D199-F203 PolarHBondContact O-N 2.92Å
200L94.9Very high88.9Confident4 Ų477.8 Ų77.82%0.02145%0.449CS..Hα-helixtrans-59.5-42.5172.1179.261.9000110.7K169 L172 V188 M196 P197 A204 L211K169-L200 HydrophobicContact CB-CB 4.21Å; K169-L200 HydrophobicContact CB-CD1 4.33Å; L172-L200 HydrophobicContact CD2-CD1 3.67Å; V188-L200 HydrophobicContact CG2-CD2 3.91Å; M196-L200 HydrophobicContact CE-CD2 4.19Å; P197-L200 HydrophobicContact CB-CB 4.01Å; P197-L200 PolarHBondContact O-N 2.94Å; L200-A204 WeakPolarHBondContact O-CB 3.38Å; L200-A204 PolarHBondContact O-N 3.36Å; L200-L211 HydrophobicContact CG-CD1 4.25Å; L200-L211 HydrophobicContact CG-CD2 4.34Å
201T95.3Very high89.5Confident59 Ų5976 Ų7636%0.36244%0.44SS..Hα-helixtrans-64.4-42.9178.4-560000111.8P197 P198 D199 K205P197-T201 PolarHBondContact O-N 3.15Å; P197-T201 PolarHBondContact O-OG1 3.22Å; P198-T201 PolarHBondContact O-N 3.47Å; D199-T201 VanDerWaalsContact C-N 3.28Å; D199-T201 PolarHBondContact O-N 2.71Å; T201-K205 VanDerWaalsContact O-CB 3.27Å; T201-K205 WeakPolarHBondContact O-CB 3.37Å; T201-K205 PolarHBondContact O-N 3.28Å
202A97.4Very high90.2Very high57 Ų5774 Ų7447%0.47142%0.416SS..Hα-helixtrans-64.1-48.617800000111.3P198 D199 K205 E206P198-A202 WeakPolarHBondContact O-CB 3.38Å; P198-A202 PolarHBondContact O-N 3.48Å; D199-A202 PolarHBondContact O-N 3.02Å; A202-K205 PolarHBondContact O-N 3.46Å; A202-E206 WeakPolarHBondContact O-CB 3.38Å; A202-E206 PolarHBondContact O-N 3.26Å
203F98Very high91.3Very high8 Ų873.5 Ų73.54%0.03541%0.408CS..Hα-helixtrans-59.8-50177.2-177.5-95.1000111.5K169 L172 E173 Y176 D199 K205 E206 F207 I209K169-F203 HydrophobicContact CG-CB 4.24Å; L172-F203 HydrophobicContact CD2-CD1 4.16Å; L172-F203 HydrophobicContact CD2-CE1 4.32Å; L172-F203 HydrophobicContact CG-CD1 4.41Å; L172-F203 HydrophobicContact CG-CE1 4.11Å; E173-F203 HydrophobicContact CB-CD2 4.37Å; E173-F203 HydrophobicContact CB-CE1 4.2Å; E173-F203 HydrophobicContact CB-CE2 3.74Å; E173-F203 HydrophobicContact CB-CZ 3.66Å; E173-F203 HydrophobicContact CG-CD2 4.39Å; E173-F203 HydrophobicContact CG-CE2 3.58Å; E173-F203 HydrophobicContact CG-CZ 3.86Å; Y176-F203 HydrophobicContact CD1-CZ 4.46Å; Y176-F203 HydrophobicContact CG-CZ 4.24Å; D199-F203 WeakPolarHBondContact O-CB 3.32Å; D199-F203 PolarHBondContact O-N 2.92Å; F203-K205 VanDerWaalsContact C-N 3.29Å; F203-K205 PolarHBondContact O-N 3.35Å; F203-E206 PolarHBondContact O-N 3.06Å; F203-E206 VanDerWaalsContact O-N 3.15Å; F203-F207 HydrophobicContact CD1-CD2 4.3Å; F203-F207 AromaticContact CD2-CD2 3.65Å; F203-F207 HydrophobicContact CD2-CD2 3.65Å; F203-F207 AromaticContact CD2-CE2 3.58Å; F203-F207 HydrophobicContact CD2-CE2 3.58Å; F203-F207 HydrophobicContact CE1-CD2 4.07Å; F203-F207 AromaticContact CE2-CD2 3.38Å; F203-F207 HydrophobicContact CE2-CD2 3.38Å; F203-F207 AromaticContact CE2-CE2 3.23Å; F203-F207 HydrophobicContact CE2-CE2 3.23Å; F203-F207 HydrophobicContact CE2-CG 4.46Å; F203-F207 HydrophobicContact CE2-CZ 4.22Å; F203-F207 HydrophobicContact CG-CD2 4.1Å; F203-F207 HydrophobicContact CG-CE2 4.45Å; F203-F207 AromaticContact CZ-CD2 3.59Å; F203-F207 HydrophobicContact CZ-CD2 3.59Å; F203-F207 AromaticContact CZ-CE2 3.87Å; F203-F207 HydrophobicContact CZ-CE2 3.87Å; F203-F207 HydrophobicContact CZ-CG 4.33Å; F203-F207 WeakPolarHBondContact O-CD2 3.49Å; F203-F207 PolarHBondContact O-N 3.17Å; F203-F207 VanDerWaalsContact O-N 3.09Å; F203-I209 HydrophobicContact CD1-CD1 4.23Å; F203-I209 HydrophobicContact CE1-CD1 3.81Å
204A97.5Very high92.7Very high2 Ų272 Ų722%0.01740%0.398CS..Hα-helixtrans-60.7-39.4179.900000112.2L200 D208 I209 L211L200-A204 WeakPolarHBondContact O-CB 3.38Å; L200-A204 PolarHBondContact O-N 3.36Å; A204-D208 PolarHBondContact O-N 3.21Å; A204-D208 VanDerWaalsContact O-N 3.1Å; A204-I209 HydrophobicContact CB-CB 4Å; A204-I209 PolarHBondContact O-N 3.41Å; A204-L211 HydrophobicContact CB-CD1 3.63Å; A204-L211 HydrophobicContact CB-CD2 3.72Å; A204-L211 HydrophobicContact CB-CG 3.53Å
205K97.5Very high93.9Very high179 Ų17971 Ų7178%0.77838%0.384SS*.Hα-helixtrans-66.4-40.8175.4-177.3-179.2177.6-176.10112.6T201 A202 F203 F207T201-K205 VanDerWaalsContact O-CB 3.27Å; T201-K205 WeakPolarHBondContact O-CB 3.37Å; T201-K205 PolarHBondContact O-N 3.28Å; A202-K205 PolarHBondContact O-N 3.46Å; F203-K205 VanDerWaalsContact C-N 3.29Å; F203-K205 PolarHBondContact O-N 3.35Å; K205-F207 VanDerWaalsContact C-N 3.3Å; K205-F207 PolarHBondContact O-N 3.46Å
206E98.2Very high94.5Very high145 Ų14565.8 Ų65.868%0.67835%0.352SS*.Hα-helixtrans-62.5-38.9179.7-177.7174.5173.100111.9A202 F203A202-E206 WeakPolarHBondContact O-CB 3.38Å; A202-E206 PolarHBondContact O-N 3.26Å; F203-E206 PolarHBondContact O-N 3.06Å; F203-E206 VanDerWaalsContact O-N 3.15Å
207F97.8Very high94.7Very high66 Ų6665.7 Ų65.729%0.28935%0.354SS..THydrogen-bonded Turntrans-104.314.8-174.8-66.6-74.8000114.6Y176 F203 K205 I209Y176-F207 HydrophobicContact CD1-CD1 4.3Å; Y176-F207 HydrophobicContact CD2-CB 4.45Å; Y176-F207 HydrophobicContact CE1-CB 4.33Å; Y176-F207 AromaticContact CE1-CD1 3.47Å; Y176-F207 HydrophobicContact CE1-CD1 3.47Å; Y176-F207 VanDerWaalsContact CE1-CD1 3.47Å; Y176-F207 AromaticContact CE1-CE1 3.97Å; Y176-F207 HydrophobicContact CE1-CE1 3.97Å; Y176-F207 AromaticContact CE1-CG 3.99Å; Y176-F207 HydrophobicContact CE1-CG 3.99Å; Y176-F207 HydrophobicContact CE2-CB 3.77Å; Y176-F207 HydrophobicContact CE2-CD1 4.41Å; Y176-F207 HydrophobicContact CE2-CG 4.31Å; Y176-F207 AromaticContact CZ-CD1 3.53Å; Y176-F207 AromaticContact CZ-CG 3.86Å; Y176-F207 WeakPolarHBondContact OH-CD1 3.45Å; F203-F207 HydrophobicContact CD1-CD2 4.3Å; F203-F207 AromaticContact CD2-CD2 3.65Å; F203-F207 HydrophobicContact CD2-CD2 3.65Å; F203-F207 AromaticContact CD2-CE2 3.58Å; F203-F207 HydrophobicContact CD2-CE2 3.58Å; F203-F207 HydrophobicContact CE1-CD2 4.07Å; F203-F207 AromaticContact CE2-CD2 3.38Å; F203-F207 HydrophobicContact CE2-CD2 3.38Å; F203-F207 AromaticContact CE2-CE2 3.23Å; F203-F207 HydrophobicContact CE2-CE2 3.23Å; F203-F207 HydrophobicContact CE2-CG 4.46Å; F203-F207 HydrophobicContact CE2-CZ 4.22Å; F203-F207 HydrophobicContact CG-CD2 4.1Å; F203-F207 HydrophobicContact CG-CE2 4.45Å; F203-F207 AromaticContact CZ-CD2 3.59Å; F203-F207 HydrophobicContact CZ-CD2 3.59Å; F203-F207 AromaticContact CZ-CE2 3.87Å; F203-F207 HydrophobicContact CZ-CE2 3.87Å; F203-F207 HydrophobicContact CZ-CG 4.33Å; F203-F207 WeakPolarHBondContact O-CD2 3.49Å; F203-F207 PolarHBondContact O-N 3.17Å; F203-F207 VanDerWaalsContact O-N 3.09Å; K205-F207 VanDerWaalsContact C-N 3.3Å; K205-F207 PolarHBondContact O-N 3.46Å; F207-I209 VanDerWaalsContact C-N 3.3Å; F207-I209 HydrophobicContact CB-CD1 4.21Å; F207-I209 HydrophobicContact CB-CG1 4.13Å; F207-I209 PolarHBondContact O-N 3.42Å
208D97.6Very high94.5Very high148 Ų14871.4 Ų71.479%0.79138%0.375SS*.THydrogen-bonded Turntrans53.841-180-161.638.8000114.2A204A204-D208 PolarHBondContact O-N 3.21Å; A204-D208 VanDerWaalsContact O-N 3.1Å
209I98.4Very high94Very high9 Ų970.8 Ų70.85%0.04636%0.363CS..PPolyproline II helixtrans-92.3120.6175.3-51.3177.2000108.6L172 Y176 N186 F203 A204 F207 L211L172-I209 HydrophobicContact CD1-CD1 4.35Å; L172-I209 HydrophobicContact CD2-CD1 4.05Å; L172-I209 HydrophobicContact CG-CD1 4.23Å; Y176-I209 HydrophobicContact CD2-CD1 3.74Å; Y176-I209 HydrophobicContact CD2-CG1 4.4Å; Y176-I209 HydrophobicContact CE2-CD1 4.1Å; Y176-I209 HydrophobicContact CE2-CG1 4.32Å; N186-I209 HydrophobicContact CB-CG2 4.33Å; F203-I209 HydrophobicContact CD1-CD1 4.23Å; F203-I209 HydrophobicContact CE1-CD1 3.81Å; A204-I209 HydrophobicContact CB-CB 4Å; A204-I209 PolarHBondContact O-N 3.41Å; F207-I209 VanDerWaalsContact C-N 3.3Å; F207-I209 HydrophobicContact CB-CD1 4.21Å; F207-I209 HydrophobicContact CB-CG1 4.13Å; F207-I209 PolarHBondContact O-N 3.42Å; I209-L211 PolarHBondContact O-N 3.5Å
210Q97.8Very high93.7Very high107 Ų10767 Ų6750%0.534%0.342SS..EExtended strand (participates in β ladder)trans-72.7116.3176.5-174.8174.854.700111S184 S185 N186 L212S184-Q210 PolarHBondContact O-N 3Å; S185-Q210 CarbonylContact C-O 3.46Å; S185-Q210 WeakPolarHBondContact CA-O 3.28Å; S185-Q210 VanDerWaalsContact CB-O 3.25Å; S185-Q210 WeakPolarHBondContact CB-O 3.22Å; N186-Q210 PolarHBondContact N-O 3.1Å; Q210-L212 HydrophobicContact CG-CD2 3.79Å; Q210-L212 HydrophobicContact CG-CG 4.01Å
211L96.2Very high93.4Very high46 Ų4667 Ų6724%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-83.6124.3169.7-61.8-179.1000110.4N186 M196 L200 A204 I209N186-L211 HydrophobicContact CB-CD2 3.96Å; N186-L211 WeakPolarHBondContact O-CA 3.44Å; M196-L211 HydrophobicContact CE-CB 3.87Å; M196-L211 HydrophobicContact CE-CD1 3.59Å; M196-L211 HydrophobicContact CE-CD2 4.33Å; M196-L211 HydrophobicContact CE-CG 4.13Å; L200-L211 HydrophobicContact CG-CD1 4.25Å; L200-L211 HydrophobicContact CG-CD2 4.34Å; A204-L211 HydrophobicContact CB-CD1 3.63Å; A204-L211 HydrophobicContact CB-CD2 3.72Å; A204-L211 HydrophobicContact CB-CG 3.53Å; I209-L211 PolarHBondContact O-N 3.5Å
212L93.9Very high93Very high54 Ų5466.6 Ų66.628%0.28334%0.34SS..EExtended strand (participates in β ladder)trans-120.5155-179.8-64176.3000109.7I126 N186 Q187 V188 Q210I126-L212 HydrophobicContact CD1-CD1 4.18Å; N186-L212 PolarHBondContact O-N 2.79Å; Q187-L212 CarbonylContact C-O 3.55Å; Q187-L212 VanDerWaalsContact CA-O 3.3Å; Q187-L212 WeakPolarHBondContact CA-O 3.43Å; Q187-L212 HydrophobicContact CG-CB 3.64Å; Q187-L212 HydrophobicContact CG-CD1 4.42Å; V188-L212 PolarHBondContact N-O 2.95Å; Q210-L212 HydrophobicContact CG-CD2 3.79Å; Q210-L212 HydrophobicContact CG-CG 4.01Å
213T92.4Very high92.4Very high85 Ų8566.8 Ų66.852%0.52134%0.342SS..EExtended strand (participates in β ladder)trans-108.4148.7175.856.40000111.2V188 L190V188-T213 WeakPolarHBondContact O-CA 3.49Å; L190-T213 HydrophobicContact CD2-CG2 3.68Å; L190-T213 HydrophobicContact CG-CG2 4.38Å
214H92.6Very high91.8Very high12 Ų1269.9 Ų69.96%0.05637%0.368CS..EExtended strand (participates in β ladder)trans-146.1169.7171.970.7112.3000110.5K95 S165 D166 V188 N189 L190 D216K95-H214 PolarHBondContact NZ-CE1 2.76Å; K95-H214 PolarHBondContact NZ-ND1 2.97Å; K95-H214 VanDerWaalsContact NZ-ND1 3.2Å; S165-H214 PolarHBondContact OG-NE2 3.26Å; D166-H214 IonicContact OD1-CE1 3.3Å; D166-H214 IonicContact OD1-NE2 3.41Å; D166-H214 PolarHBondContact OD1-NE2 3.4Å; D166-H214 VanDerWaalsContact OD1-NE2 3.08Å; D166-H214 IonicContact OD2-CE1 3.11Å; D166-H214 PolarHBondContact OD2-CE1 3.05Å; D166-H214 IonicContact OD2-NE2 3.36Å; D166-H214 PolarHBondContact OD2-NE2 2.95Å; D166-H214 VanDerWaalsContact OD2-NE2 3.12Å; V188-H214 PolarHBondContact O-CD2 3.22Å; V188-H214 PolarHBondContact O-N 3.48Å; N189-H214 WeakPolarHBondContact CA-O 3.36Å; N189-H214 PolarHBondContact N-NE2 3.11Å; L190-H214 PolarHBondContact N-O 3.38Å; H214-D216 IonicContact CE1-OD2 2.95Å; H214-D216 IonicContact CG-OD2 3.08Å; H214-D216 WeakPolarHBondContact ND1-CB 3.39Å; H214-D216 PolarHBondContact ND1-N 3.07Å; H214-D216 IonicContact ND1-OD2 3.11Å; H214-D216 PolarHBondContact ND1-OD2 3.26Å
215N90.8Very high91.4Very high107 Ų10771.2 Ų71.257%0.57238%0.378SS*.  trans-130.131.1-179.765.9-31.7000111.1
216D90.7Very high91Very high3 Ų362.8 Ų62.82%0.01634%0.341CS..  trans-69.8143.5177.6-57.5-44.3000109.4K95 F97 N189 H214 R249K95-D216 WeakPolarHBondContact CE-OD2 3.19Å; K95-D216 IonicContact NZ-OD2 3.12Å; K95-D216 PolarHBondContact NZ-OD2 3.32Å; F97-D216 HydrophobicContact CE1-CB 4.13Å; F97-D216 HydrophobicContact CZ-CB 4.43Å; N189-D216 PolarHBondContact ND2-O 3.47Å; H214-D216 IonicContact CE1-OD2 2.95Å; H214-D216 IonicContact CG-OD2 3.08Å; H214-D216 WeakPolarHBondContact ND1-CB 3.39Å; H214-D216 PolarHBondContact ND1-N 3.07Å; H214-D216 IonicContact ND1-OD2 3.11Å; H214-D216 PolarHBondContact ND1-OD2 3.26Å; D216-R249 VanDerWaalsContact CG-NH2 3.29Å; D216-R249 IonicContact OD1-CZ 3.9Å; D216-R249 IonicContact OD1-NH1 2.76Å; D216-R249 PolarHBondContact OD1-NH1 2.75Å; D216-R249 IonicContact OD1-NH2 2.92Å; D216-R249 PolarHBondContact OD1-NH2 3.31Å; D216-R249 IonicContact OD2-CZ 3.13Å; D216-R249 IonicContact OD2-NH2 3.73Å; D216-R249 PolarHBondContact OD2-NH2 3.11Å
217P88Confident90.4Very high45 Ų4557 Ų5729%0.29231%0.314SS..  trans-68.2160.6168.618.3-12.4000110.4S40 E219S40-P217 WeakPolarHBondContact OG-CG 3.48Å; P217-E219 WeakPolarHBondContact CG-O 3.23Å; P217-E219 PolarHBondContact O-N 2.66Å
218K81.4Confident90Very high165 Ų16558 Ų5872%0.71732%0.32SS*.SBendtrans-52.1-43.9176.8-72.2-174.1179-178.80111.5E134E134-K218 IonicContact OE1-NZ 2.67Å
219E83.4Confident89.4Confident96 Ų9651 Ų5145%0.44928%0.282SS..SBendtrans-114.7118.2171.7-172.9178.3-165.700107.9P217 I221 T222P217-E219 WeakPolarHBondContact CG-O 3.23Å; P217-E219 PolarHBondContact O-N 2.66Å; E219-I221 VanDerWaalsContact C-N 3.35Å; E219-I221 PolarHBondContact O-N 3.28Å; E219-T222 WeakPolarHBondContact OE1-CA 3.4Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.45Å
220L87.9Confident88.8Confident9 Ų950.5 Ų50.55%0.04728%0.28CS..SBendtrans-62.9-42.8-173.9-179.363.2000111.8P39 S40 I43 F97 V247 Y265P39-L220 HydrophobicContact CB-CD1 3.91Å; S40-L220 VanDerWaalsContact CA-O 3.25Å; S40-L220 WeakPolarHBondContact CA-O 3.42Å; S40-L220 VanDerWaalsContact CB-O 3.27Å; S40-L220 WeakPolarHBondContact CB-O 3.39Å; S40-L220 PolarHBondContact OG-O 2.79Å; I43-L220 HydrophobicContact CD1-CD2 4.03Å; I43-L220 HydrophobicContact CD1-CG 4.41Å; I43-L220 HydrophobicContact CG2-CG 4.32Å; F97-L220 HydrophobicContact CD1-CB 3.94Å; F97-L220 HydrophobicContact CD1-CD2 4.16Å; F97-L220 HydrophobicContact CD2-CD2 3.56Å; F97-L220 HydrophobicContact CE1-CB 4.17Å; F97-L220 HydrophobicContact CE1-CD1 4.49Å; F97-L220 HydrophobicContact CE1-CD2 4.16Å; F97-L220 HydrophobicContact CE2-CD2 3.59Å; F97-L220 HydrophobicContact CG-CB 4.24Å; F97-L220 HydrophobicContact CG-CD2 3.86Å; F97-L220 HydrophobicContact CZ-CD1 4.38Å; F97-L220 HydrophobicContact CZ-CD2 3.88Å; L220-V247 HydrophobicContact CD2-CB 4.25Å; L220-V247 HydrophobicContact CD2-CG1 3.67Å; L220-Y265 HydrophobicContact CD2-CE1 4.26Å
221I88.8Confident88Confident5 Ų549.7 Ų49.73%0.02628%0.276CS..SBendtrans-145.3127.6173.9-178171.4000107.9I43 Q44 E219 F226 L244 V247I43-I221 HydrophobicContact CD1-CG2 4.13Å; I43-I221 HydrophobicContact CG2-CB 3.82Å; I43-I221 HydrophobicContact CG2-CD1 4.23Å; I43-I221 HydrophobicContact CG2-CG1 4.41Å; I43-I221 HydrophobicContact CG2-CG2 4.45Å; Q44-I221 HydrophobicContact CB-CD1 4.36Å; E219-I221 VanDerWaalsContact C-N 3.35Å; E219-I221 PolarHBondContact O-N 3.28Å; I221-F226 HydrophobicContact CD1-CB 3.88Å; I221-F226 HydrophobicContact CD1-CD2 4.2Å; I221-F226 HydrophobicContact CG1-CB 4.14Å; I221-L244 HydrophobicContact CG2-CD1 3.44Å; I221-L244 VanDerWaalsContact CG2-CD1 3.44Å; I221-V247 HydrophobicContact CG2-CG2 4.08Å
222T86.6Confident87.4Confident50 Ų5052.1 Ų52.131%0.30729%0.286SS..  trans-72.5154179.4760000110.9E219 A224 S225 F226E219-T222 WeakPolarHBondContact OE1-CA 3.4Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.45Å; T222-A224 PolarHBondContact O-N 3.49Å; T222-A224 PolarHBondContact OG1-N 3.28Å; T222-S225 PolarHBondContact O-N 3.33Å; T222-S225 VanDerWaalsContact O-N 3.15Å; T222-S225 WeakPolarHBondContact OG1-CB 3.18Å; T222-S225 PolarHBondContact OG1-N 3.26Å; T222-S225 PolarHBondContact OG1-OG 2.76Å; T222-F226 PolarHBondContact O-N 2.82Å
223A84Confident86.5Confident62 Ų6250.1 Ų50.151%0.51228%0.276SS..Hα-helixtrans-52.5-40.4171.500000111.7Q227A223-Q227 WeakPolarHBondContact O-CB 2.83Å; A223-Q227 VanDerWaalsContact O-CG 3.22Å; A223-Q227 WeakPolarHBondContact O-CG 3.47Å; A223-Q227 PolarHBondContact O-N 2.64Å
224A86.3Confident85.5Confident72 Ų7246.2 Ų46.260%0.59525%0.252SS*.Hα-helixtrans-65.3-46.3177.500000112.6T222 F226 Q227 E228T222-A224 PolarHBondContact O-N 3.49Å; T222-A224 PolarHBondContact OG1-N 3.28Å; A224-F226 VanDerWaalsContact C-N 3.33Å; A224-F226 PolarHBondContact O-N 3.23Å; A224-Q227 WeakPolarHBondContact O-CB 3.24Å; A224-Q227 PolarHBondContact O-N 3.43Å; A224-E228 WeakPolarHBondContact O-CB 3.45Å; A224-E228 PolarHBondContact O-N 3.01Å
225S88.8Confident84.1Confident31 Ų3152.3 Ų52.322%0.21728%0.281CS..Hα-helixtrans-66.5-35.6178.7-58.90000112.3Q44 T222 A229Q44-S225 PolarHBondContact NE2-O 2.96Å; T222-S225 PolarHBondContact O-N 3.33Å; T222-S225 VanDerWaalsContact O-N 3.15Å; T222-S225 WeakPolarHBondContact OG1-CB 3.18Å; T222-S225 PolarHBondContact OG1-N 3.26Å; T222-S225 PolarHBondContact OG1-OG 2.76Å; S225-A229 WeakPolarHBondContact O-CB 3.45Å; S225-A229 PolarHBondContact O-N 3.23Å
226F89.2Confident82.4Confident1 Ų155.2 Ų55.20%0.00430%0.296CS..Hα-helixtrans-65.4-47.5172.7179.4-110.2000111.1L18 L20 V47 I221 T222 A224 E228 A229 V230 W242 L244 V267 A269L18-F226 HydrophobicContact CD2-CZ 4.35Å; L20-F226 HydrophobicContact CD1-CE2 4.2Å; V47-F226 HydrophobicContact CG1-CD2 4.19Å; V47-F226 HydrophobicContact CG1-CE2 4Å; I221-F226 HydrophobicContact CD1-CB 3.88Å; I221-F226 HydrophobicContact CD1-CD2 4.2Å; I221-F226 HydrophobicContact CG1-CB 4.14Å; T222-F226 PolarHBondContact O-N 2.82Å; A224-F226 VanDerWaalsContact C-N 3.33Å; A224-F226 PolarHBondContact O-N 3.23Å; F226-E228 VanDerWaalsContact C-N 3.32Å; F226-E228 PolarHBondContact O-N 3.38Å; F226-A229 PolarHBondContact O-N 3.33Å; F226-A229 VanDerWaalsContact O-N 3.17Å; F226-V230 HydrophobicContact CD1-CG2 4.44Å; F226-V230 HydrophobicContact CD2-CG2 4.48Å; F226-V230 HydrophobicContact CE1-CG2 4.07Å; F226-V230 HydrophobicContact CE2-CG2 4.1Å; F226-V230 HydrophobicContact CZ-CG2 3.89Å; F226-V230 WeakPolarHBondContact O-CG2 3.49Å; F226-V230 PolarHBondContact O-N 3.22Å; F226-W242 HydrophobicContact CE1-CB 3.83Å; F226-L244 HydrophobicContact CB-CD1 3.64Å; F226-L244 HydrophobicContact CB-CG 4.19Å; F226-L244 HydrophobicContact CD1-CD1 4.12Å; F226-L244 HydrophobicContact CD1-CD2 4.09Å; F226-L244 HydrophobicContact CD1-CG 3.68Å; F226-L244 HydrophobicContact CD2-CD1 3.91Å; F226-L244 HydrophobicContact CD2-CD2 3.77Å; F226-L244 HydrophobicContact CD2-CG 3.97Å; F226-L244 HydrophobicContact CE1-CD2 3.97Å; F226-L244 HydrophobicContact CE1-CG 3.98Å; F226-L244 HydrophobicContact CE2-CD2 3.66Å; F226-L244 HydrophobicContact CE2-CG 4.27Å; F226-L244 HydrophobicContact CG-CD1 3.61Å; F226-L244 HydrophobicContact CG-CD2 3.98Å; F226-L244 HydrophobicContact CG-CG 3.66Å; F226-L244 HydrophobicContact CZ-CD2 3.76Å; F226-L244 HydrophobicContact CZ-CG 4.27Å; F226-V267 HydrophobicContact CE2-CG1 4.07Å; F226-A269 HydrophobicContact CE1-CB 3.8Å; F226-A269 HydrophobicContact CZ-CB 3.74Å
227Q86.4Confident80.7Confident24 Ų2456.4 Ų56.411%0.11230%0.303CS..Hα-helixtrans-57.3-45.5175.4-77.4-61.5-24.600112.4A223 A224 A229 V230 Q231 W242A223-Q227 WeakPolarHBondContact O-CB 2.83Å; A223-Q227 VanDerWaalsContact O-CG 3.22Å; A223-Q227 WeakPolarHBondContact O-CG 3.47Å; A223-Q227 PolarHBondContact O-N 2.64Å; A224-Q227 WeakPolarHBondContact O-CB 3.24Å; A224-Q227 PolarHBondContact O-N 3.43Å; Q227-A229 PolarHBondContact O-N 3.36Å; Q227-V230 PolarHBondContact O-N 3.42Å; Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 VanDerWaalsContact O-CG 3.23Å; Q227-Q231 WeakPolarHBondContact O-CG 3.25Å; Q227-Q231 PolarHBondContact O-N 2.85Å; Q227-W242 PolarHBondContact NE2-O 3.12Å
228E87.8Confident79.3Confident87 Ų8764.1 Ų64.141%0.40733%0.332SS..Hα-helixtrans-57.9-47175.2-177.8-179.5-149.100111.4Q44 A224 F226 V230 Q231 E232Q44-E228 PolarHBondContact NE2-OE2 3.36Å; A224-E228 WeakPolarHBondContact O-CB 3.45Å; A224-E228 PolarHBondContact O-N 3.01Å; F226-E228 VanDerWaalsContact C-N 3.32Å; F226-E228 PolarHBondContact O-N 3.38Å; E228-V230 VanDerWaalsContact C-N 3.32Å; E228-V230 PolarHBondContact O-N 3.42Å; E228-Q231 PolarHBondContact O-N 2.87Å; E228-E232 HydrophobicContact CG-CG 4.32Å; E228-E232 WeakPolarHBondContact O-CB 3.41Å; E228-E232 WeakPolarHBondContact O-CG 3.47Å; E228-E232 PolarHBondContact O-N 3.26Å
229A86.9Confident78.3Confident0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-61.1-39.3178.400000112.8Q44 V47 R48 S225 F226 Q227 S233Q44-A229 HydrophobicContact CG-CB 3.89Å; V47-A229 HydrophobicContact CB-CB 4.27Å; V47-A229 HydrophobicContact CG1-CB 3.82Å; R48-A229 HydrophobicContact CB-CB 4.28Å; S225-A229 WeakPolarHBondContact O-CB 3.45Å; S225-A229 PolarHBondContact O-N 3.23Å; F226-A229 PolarHBondContact O-N 3.33Å; F226-A229 VanDerWaalsContact O-N 3.17Å; Q227-A229 PolarHBondContact O-N 3.36Å; A229-S233 WeakPolarHBondContact O-CB 3.18Å; A229-S233 PolarHBondContact O-N 2.99Å; A229-S233 PolarHBondContact O-OG 2.87Å
230V84Confident77.3Confident0 Ų053.5 Ų53.50%029%0.289CS..Hα-helixtrans-69.7-45.2175.5-174.90000110.3L12 L51 F226 Q227 E228 S233 T234 V239L12-V230 HydrophobicContact CD1-CG1 4.37Å; L51-V230 HydrophobicContact CD1-CB 4.23Å; L51-V230 HydrophobicContact CD1-CG1 4.26Å; L51-V230 HydrophobicContact CD1-CG2 3.87Å; F226-V230 HydrophobicContact CD1-CG2 4.44Å; F226-V230 HydrophobicContact CD2-CG2 4.48Å; F226-V230 HydrophobicContact CE1-CG2 4.07Å; F226-V230 HydrophobicContact CE2-CG2 4.1Å; F226-V230 HydrophobicContact CZ-CG2 3.89Å; F226-V230 WeakPolarHBondContact O-CG2 3.49Å; F226-V230 PolarHBondContact O-N 3.22Å; Q227-V230 PolarHBondContact O-N 3.42Å; E228-V230 VanDerWaalsContact C-N 3.32Å; E228-V230 PolarHBondContact O-N 3.42Å; V230-S233 PolarHBondContact O-N 2.86Å; V230-S233 PolarHBondContact O-OG 2.95Å; V230-T234 WeakPolarHBondContact O-CG2 3.33Å; V230-T234 PolarHBondContact O-OG1 3.04Å; V230-V239 HydrophobicContact CB-CG1 4.33Å; V230-V239 HydrophobicContact CG1-CB 4.47Å; V230-V239 HydrophobicContact CG1-CG1 3.51Å; V230-V239 HydrophobicContact CG1-CG2 4.26Å
231Q82.9Confident76.8Confident89 Ų8957.8 Ų57.842%0.41631%0.313SS..Hα-helixtrans-62.2-49.2-179.7-74.1172.511.100112.7Q227 E228 S233 T234 Q235 V239Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 VanDerWaalsContact O-CG 3.23Å; Q227-Q231 WeakPolarHBondContact O-CG 3.25Å; Q227-Q231 PolarHBondContact O-N 2.85Å; E228-Q231 PolarHBondContact O-N 2.87Å; Q231-S233 PolarHBondContact O-N 3.37Å; Q231-T234 WeakPolarHBondContact O-CA 3.34Å; Q231-T234 PolarHBondContact O-N 3.39Å; Q231-T234 PolarHBondContact O-OG1 3Å; Q231-Q235 PolarHBondContact O-N 3.45Å; Q231-V239 HydrophobicContact CB-CG2 4.42Å; Q231-V239 HydrophobicContact CG-CB 3.96Å; Q231-V239 HydrophobicContact CG-CG2 3.82Å
232E82.4Confident76.6Confident98 Ų9857.9 Ų57.946%0.45831%0.312SS..Hα-helixtrans-62.1-33179.5-72-176.7140.900112.3R48 E228 T234R48-E232 IonicContact CZ-OE2 2.73Å; R48-E232 IonicContact NE-OE2 3.07Å; R48-E232 PolarHBondContact NE-OE2 2.87Å; R48-E232 IonicContact NH2-OE2 2.77Å; R48-E232 PolarHBondContact NH2-OE2 3.46Å; E228-E232 HydrophobicContact CG-CG 4.32Å; E228-E232 WeakPolarHBondContact O-CB 3.41Å; E228-E232 WeakPolarHBondContact O-CG 3.47Å; E228-E232 PolarHBondContact O-N 3.26Å; E232-T234 PolarHBondContact O-N 3.48Å
233S75.9Confident76.6Confident11 Ų1161.6 Ų61.68%0.07732%0.321CS..THydrogen-bonded Turntrans-67.6-13.1175.5740000113.5L51 F55 A229 V230 Q231L51-S233 WeakPolarHBondContact CB-OG 3.4Å; F55-S233 WeakPolarHBondContact CD2-O 3.32Å; F55-S233 WeakPolarHBondContact CE2-OG 3.41Å; A229-S233 WeakPolarHBondContact O-CB 3.18Å; A229-S233 PolarHBondContact O-N 2.99Å; A229-S233 PolarHBondContact O-OG 2.87Å; V230-S233 PolarHBondContact O-N 2.86Å; V230-S233 PolarHBondContact O-OG 2.95Å; Q231-S233 PolarHBondContact O-N 3.37Å
234T70.7Confident76.8Confident3 Ų359.2 Ų59.22%0.01830%0.299CS..THydrogen-bonded Turntrans-114.70.5-172.264.30000115L12 F55 V230 Q231 E232 L237 V239L12-T234 HydrophobicContact CD1-CG2 3.68Å; F55-T234 HydrophobicContact CE2-CG2 3.62Å; F55-T234 HydrophobicContact CZ-CG2 3.88Å; V230-T234 WeakPolarHBondContact O-CG2 3.33Å; V230-T234 PolarHBondContact O-OG1 3.04Å; Q231-T234 WeakPolarHBondContact O-CA 3.34Å; Q231-T234 PolarHBondContact O-N 3.39Å; Q231-T234 PolarHBondContact O-OG1 3Å; E232-T234 PolarHBondContact O-N 3.48Å; T234-L237 WeakPolarHBondContact O-CD1 3.38Å; T234-L237 WeakPolarHBondContact O-CG 3.45Å; T234-V239 HydrophobicContact CG2-CG2 4.28Å; T234-V239 WeakPolarHBondContact OG1-CG2 3.39Å
235Q63.8Low76.9Confident140 Ų14056.2 Ų56.265%0.65427%0.273SS*.SBendtrans49.573.6176.7-62.3178.6-3.900114.1Q231Q231-Q235 PolarHBondContact O-N 3.45Å
236D54.2Low77.1Confident168 Ų16855 Ų5590%0.89826%0.264SS*.SBendtrans74.130.1173.8-59-38.8000117.3
237L55.9Low77.3Confident29 Ų2955 Ų5515%0.15226%0.264CS..  trans-87.4133.3170.3-66.5173000110.5K9 T234 V239K9-L237 HydrophobicContact CB-CD1 3.53Å; K9-L237 HydrophobicContact CB-CD2 4.29Å; K9-L237 HydrophobicContact CD-CD1 4.14Å; K9-L237 HydrophobicContact CD-CD2 3.31Å; K9-L237 HydrophobicContact CD-CG 4.39Å; K9-L237 HydrophobicContact CG-CD1 3.65Å; K9-L237 HydrophobicContact CG-CD2 3.62Å; K9-L237 HydrophobicContact CG-CG 4.25Å; T234-L237 WeakPolarHBondContact O-CD1 3.38Å; T234-L237 WeakPolarHBondContact O-CG 3.45Å; L237-V239 HydrophobicContact CB-CG2 4.27Å; L237-V239 PolarHBondContact O-N 3.06Å
238K58.8Low77.8Confident206 Ų20653.8 Ų53.890%0.89626%0.258SS*.  trans-65.181.4160-76.2-171.3178.1-174.30107
239V59.7Low78.2Confident15 Ų1552.3 Ų52.39%0.09125%0.249CC..  trans-62.7137.3175.7179.60000107.1V230 Q231 T234 L237 W242V230-V239 HydrophobicContact CB-CG1 4.33Å; V230-V239 HydrophobicContact CG1-CB 4.47Å; V230-V239 HydrophobicContact CG1-CG1 3.51Å; V230-V239 HydrophobicContact CG1-CG2 4.26Å; Q231-V239 HydrophobicContact CB-CG2 4.42Å; Q231-V239 HydrophobicContact CG-CB 3.96Å; Q231-V239 HydrophobicContact CG-CG2 3.82Å; T234-V239 HydrophobicContact CG2-CG2 4.28Å; T234-V239 WeakPolarHBondContact OG1-CG2 3.39Å; L237-V239 HydrophobicContact CB-CG2 4.27Å; L237-V239 PolarHBondContact O-N 3.06Å; V239-W242 VanDerWaalsContact CG1-CD1 3.44Å
240A61.5Low78.7Confident23 Ų2352.5 Ų52.519%0.1925%0.25CC..  trans-56.1157.2175.500000112.3W242 R271A240-W242 PolarHBondContact O-N 3.46Å; A240-R271 HydrophobicContact CB-CG 3.79Å
241D78.3Confident79.2Confident100 Ų10054.1 Ų54.154%0.53526%0.261SS..  trans-66.575.7176-79.8-23.4000111.5S272D241-S272 VanDerWaalsContact O-CB 3.25Å; D241-S272 WeakPolarHBondContact O-CB 3.38Å; D241-S272 PolarHBondContact O-N 2.86Å
242W84.6Confident79.9Confident6 Ų650 Ų502%0.02324%0.242CC..EExtended strand (participates in β ladder)trans-66.8137167.2-62.597.5000112.1L12 A15 L18 F226 Q227 V239 A240 A269 K270 R271L12-W242 HydrophobicContact CD2-CZ2 3.99Å; L12-W242 WeakPolarHBondContact O-CZ2 3.39Å; A15-W242 HydrophobicContact CB-CH2 4.09Å; A15-W242 WeakPolarHBondContact O-CH2 3.25Å; L18-W242 HydrophobicContact CB-CD2 4.49Å; L18-W242 HydrophobicContact CB-CE3 3.84Å; L18-W242 HydrophobicContact CB-CH2 3.83Å; L18-W242 HydrophobicContact CB-CZ2 4.47Å; L18-W242 HydrophobicContact CB-CZ3 3.48Å; L18-W242 VanDerWaalsContact CB-CZ3 3.48Å; F226-W242 HydrophobicContact CE1-CB 3.83Å; Q227-W242 PolarHBondContact NE2-O 3.12Å; V239-W242 VanDerWaalsContact CG1-CD1 3.44Å; A240-W242 PolarHBondContact O-N 3.46Å; W242-A269 HydrophobicContact CE3-CB 4.16Å; W242-K270 CarbonylContact C-O 3.51Å; W242-K270 WeakPolarHBondContact CA-O 3.44Å; W242-R271 HydrophobicContact CD2-CB 4.47Å; W242-R271 HydrophobicContact CE3-CB 4.17Å; W242-R271 HydrophobicContact CH2-CB 4.43Å; W242-R271 HydrophobicContact CZ3-CB 4.14Å
243R85.8Confident80.5Confident128 Ų12847.7 Ų47.748%0.48323%0.232SC..EExtended strand (participates in β ladder)trans-121.9132174.7-62.4-171.6-176.7179.51.5108.7E100 A269 K270 S272E100-R243 WeakPolarHBondContact OE1-CD 3.27Å; R243-A269 CarbonylContact O-C 3.56Å; R243-A269 WeakPolarHBondContact O-CA 3.39Å; R243-A269 VanDerWaalsContact O-CB 3.27Å; R243-A269 WeakPolarHBondContact O-CB 3.2Å; R243-K270 PolarHBondContact N-O 3.44Å; R243-K270 PolarHBondContact O-N 2.92Å; R243-S272 PolarHBondContact NH2-OG 3.42Å
244L87.9Confident81.5Confident12 Ų1248.5 Ų48.56%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-72.9127.8173.3-76171000108.9C99 I221 F226 V247 V267 A269C99-L244 HydrophobicContact CB-CB 4.17Å; C99-L244 WeakPolarHBondContact CB-O 3.23Å; I221-L244 HydrophobicContact CG2-CD1 3.44Å; I221-L244 VanDerWaalsContact CG2-CD1 3.44Å; F226-L244 HydrophobicContact CB-CD1 3.64Å; F226-L244 HydrophobicContact CB-CG 4.19Å; F226-L244 HydrophobicContact CD1-CD1 4.12Å; F226-L244 HydrophobicContact CD1-CD2 4.09Å; F226-L244 HydrophobicContact CD1-CG 3.68Å; F226-L244 HydrophobicContact CD2-CD1 3.91Å; F226-L244 HydrophobicContact CD2-CD2 3.77Å; F226-L244 HydrophobicContact CD2-CG 3.97Å; F226-L244 HydrophobicContact CE1-CD2 3.97Å; F226-L244 HydrophobicContact CE1-CG 3.98Å; F226-L244 HydrophobicContact CE2-CD2 3.66Å; F226-L244 HydrophobicContact CE2-CG 4.27Å; F226-L244 HydrophobicContact CG-CD1 3.61Å; F226-L244 HydrophobicContact CG-CD2 3.98Å; F226-L244 HydrophobicContact CG-CG 3.66Å; F226-L244 HydrophobicContact CZ-CD2 3.76Å; F226-L244 HydrophobicContact CZ-CG 4.27Å; L244-V247 HydrophobicContact CD2-CG2 4.38Å; L244-V267 HydrophobicContact CD2-CG1 3.21Å; L244-A269 HydrophobicContact CD2-CB 4.31Å
245E89.4Confident82.6Confident10 Ų1053.6 Ų53.65%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-92.1-42.6170-60.8-161.8151.500110.5C99 E100 S105 H268 K270C99-E245 WeakPolarHBondContact CA-O 3.36Å; C99-E245 WeakPolarHBondContact CB-O 3.38Å; C99-E245 PolarHBondContact N-O 2.67Å; E100-E245 PolarHBondContact N-O 2.8Å; S105-E245 PolarHBondContact OG-OE2 3.14Å; E245-H268 PolarHBondContact N-O 2.96Å; E245-H268 IonicContact OE2-CD2 2.88Å; E245-H268 PolarHBondContact OE2-CD2 3.27Å; E245-H268 IonicContact OE2-NE2 3.61Å; E245-H268 PolarHBondContact OE2-NE2 3.14Å; E245-K270 VanDerWaalsContact CD-NZ 3.29Å; E245-K270 HydrophobicContact CG-CG 4.28Å; E245-K270 WeakPolarHBondContact OE1-CD 3.48Å; E245-K270 WeakPolarHBondContact OE1-CE 3.43Å; E245-K270 WeakPolarHBondContact OE1-CG 3.49Å; E245-K270 IonicContact OE1-NZ 2.81Å; E245-K270 PolarHBondContact OE1-NZ 3.27Å; E245-K270 WeakPolarHBondContact OE2-CE 3.22Å; E245-K270 IonicContact OE2-NZ 3.07Å; E245-K270 PolarHBondContact OE2-NZ 3.21Å; E245-K270 VanDerWaalsContact OE2-NZ 3.16Å
246W92.8Very high84Confident4 Ų451.6 Ų51.62%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-156.3155.9177.954.4-90.7000112.5L96 F97 A109 K112 L248 L266 H268L96-W246 HydrophobicContact CD1-CB 3.98Å; L96-W246 HydrophobicContact CD1-CD2 4.39Å; L96-W246 HydrophobicContact CD1-CE3 4.24Å; L96-W246 HydrophobicContact CD1-CG 4.35Å; F97-W246 VanDerWaalsContact O-CA 3.27Å; F97-W246 WeakPolarHBondContact O-CA 3.44Å; F97-W246 WeakPolarHBondContact O-CB 3.45Å; A109-W246 HydrophobicContact CB-CD2 3.75Å; A109-W246 HydrophobicContact CB-CE3 3.9Å; A109-W246 HydrophobicContact CB-CG 4.42Å; A109-W246 HydrophobicContact CB-CH2 3.95Å; A109-W246 HydrophobicContact CB-CZ2 3.76Å; A109-W246 HydrophobicContact CB-CZ3 4.01Å; K112-W246 HydrophobicContact CD-CH2 3.85Å; K112-W246 HydrophobicContact CD-CZ2 3.8Å; W246-L248 HydrophobicContact CE3-CB 4.01Å; W246-L248 HydrophobicContact CZ3-CB 3.91Å; W246-L266 HydrophobicContact CH2-CB 4.31Å; W246-L266 HydrophobicContact CZ3-CB 3.83Å; W246-H268 HydrophobicContact CD2-CB 3.63Å; W246-H268 AromaticContact CE2-CG 3.79Å; W246-H268 HydrophobicContact CE3-CB 4.17Å; W246-H268 HydrophobicContact CG-CB 4.12Å; W246-H268 HydrophobicContact CH2-CB 3.9Å; W246-H268 HydrophobicContact CZ2-CB 3.33Å; W246-H268 AromaticContact CZ2-CG 3.92Å; W246-H268 HydrophobicContact CZ3-CB 4.28Å; W246-H268 VanDerWaalsContact NE1-CB 3.3Å; W246-H268 AromaticContact NE1-CD2 3.78Å; W246-H268 AromaticContact NE1-CG 3.55Å; W246-H268 PolarHBondContact O-N 2.92Å; W246-H268 VanDerWaalsContact O-N 3.08Å
247V94.4Very high85.8Confident1 Ų152.7 Ų52.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-124.8129.3168176.10000108I43 F97 L220 I221 L244 Y265 V267I43-V247 HydrophobicContact CD1-CB 4.29Å; I43-V247 HydrophobicContact CD1-CG1 3.33Å; I43-V247 HydrophobicContact CD1-CG2 4.02Å; F97-V247 HydrophobicContact CB-CB 4.31Å; F97-V247 WeakPolarHBondContact CB-O 3.39Å; F97-V247 WeakPolarHBondContact CD2-O 3.22Å; F97-V247 PolarHBondContact N-O 2.55Å; F97-V247 PolarHBondContact O-N 3.01Å; L220-V247 HydrophobicContact CD2-CB 4.25Å; L220-V247 HydrophobicContact CD2-CG1 3.67Å; I221-V247 HydrophobicContact CG2-CG2 4.08Å; L244-V247 HydrophobicContact CD2-CG2 4.38Å; V247-Y265 HydrophobicContact CG1-CD1 3.98Å; V247-V267 HydrophobicContact CG1-CG2 4.46Å; V247-V267 HydrophobicContact CG2-CG1 4.37Å; V247-V267 HydrophobicContact CG2-CG2 4.45Å
248L95.7Very high87.5Confident0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-113.3117.7174.6-178.6158.1000108.9V94 K95 L96 A109 A113 W246 Y265 L266V94-L248 HydrophobicContact CB-CD1 4.34Å; V94-L248 HydrophobicContact CB-CD2 3.81Å; V94-L248 HydrophobicContact CB-CG 4.03Å; V94-L248 HydrophobicContact CG1-CD2 3.82Å; V94-L248 HydrophobicContact CG1-CG 4.49Å; V94-L248 HydrophobicContact CG2-CD1 4.26Å; V94-L248 HydrophobicContact CG2-CG 4.4Å; K95-L248 WeakPolarHBondContact O-CA 3.4Å; L96-L248 HydrophobicContact CD1-CB 4.05Å; L96-L248 HydrophobicContact CD1-CD1 4.44Å; A109-L248 HydrophobicContact CB-CD1 4.14Å; A109-L248 WeakPolarHBondContact O-CD1 3.33Å; A113-L248 HydrophobicContact CB-CD1 3.86Å; A113-L248 HydrophobicContact CB-CD2 4.19Å; W246-L248 HydrophobicContact CE3-CB 4.01Å; W246-L248 HydrophobicContact CZ3-CB 3.91Å; L248-Y265 CarbonylContact O-C 3.6Å; L248-Y265 VanDerWaalsContact O-CA 3.26Å; L248-Y265 WeakPolarHBondContact O-CA 3.28Å; L248-L266 HydrophobicContact CB-CB 4.28Å; L248-L266 HydrophobicContact CD2-CD1 4.3Å; L248-L266 HydrophobicContact CD2-CG 4.45Å; L248-L266 PolarHBondContact N-O 3.39Å; L248-L266 PolarHBondContact O-N 3.42Å
249R96.6Very high89.1Confident56 Ų5649 Ų4921%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-94.9122.8172.1-177.7174.462.6-163.9-3.8109.5V94 K95 F97 D216 G264 Y265V94-R249 CarbonylContact C-O 3.56Å; V94-R249 VanDerWaalsContact CA-O 3.22Å; V94-R249 WeakPolarHBondContact CA-O 3.3Å; K95-R249 PolarHBondContact N-O 2.83Å; K95-R249 PolarHBondContact O-N 3.33Å; F97-R249 HydrophobicContact CE2-CB 4.05Å; D216-R249 VanDerWaalsContact CG-NH2 3.29Å; D216-R249 IonicContact OD1-CZ 3.9Å; D216-R249 IonicContact OD1-NH1 2.76Å; D216-R249 PolarHBondContact OD1-NH1 2.75Å; D216-R249 IonicContact OD1-NH2 2.92Å; D216-R249 PolarHBondContact OD1-NH2 3.31Å; D216-R249 IonicContact OD2-CZ 3.13Å; D216-R249 IonicContact OD2-NH2 3.73Å; D216-R249 PolarHBondContact OD2-NH2 3.11Å; R249-G264 CarbonylContact C-O 3.55Å; R249-G264 WeakPolarHBondContact CA-O 3.43Å; R249-Y265 HydrophobicContact CB-CD1 3.78Å; R249-Y265 HydrophobicContact CB-CE1 3.68Å; R249-Y265 HydrophobicContact CG-CD1 4Å; R249-Y265 HydrophobicContact CG-CE1 3.58Å
250Y96.7Very high90.7Very high4 Ų452.1 Ų52.12%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-106.4149.9174.567.7-94.9000112.1H21 G23 S93 L117 I252 K263 G264H21-Y250 AromaticContact CD2-CE1 3.98Å; H21-Y250 AromaticContact NE2-CE1 3.56Å; H21-Y250 AromaticContact NE2-CZ 3.65Å; H21-Y250 PolarHBondContact NE2-OH 2.86Å; G23-Y250 PolarHBondContact O-OH 2.82Å; S93-Y250 CarbonylContact O-C 3.51Å; S93-Y250 WeakPolarHBondContact O-CA 3.32Å; L117-Y250 HydrophobicContact CD1-CD2 4.22Å; L117-Y250 HydrophobicContact CD1-CG 4.16Å; L117-Y250 HydrophobicContact CD2-CD2 4.01Å; L117-Y250 HydrophobicContact CD2-CE1 4.45Å; L117-Y250 HydrophobicContact CD2-CE2 3.86Å; L117-Y250 HydrophobicContact CD2-CG 4.36Å; Y250-I252 HydrophobicContact CD2-CD1 4.3Å; Y250-I252 HydrophobicContact CD2-CG1 4.43Å; Y250-I252 HydrophobicContact CE2-CD1 4.42Å; Y250-K263 VanDerWaalsContact O-CA 3.28Å; Y250-K263 WeakPolarHBondContact O-CA 3.43Å; Y250-G264 VanDerWaalsContact CD1-C 3.49Å; Y250-G264 VanDerWaalsContact CD1-O 3.3Å; Y250-G264 WeakPolarHBondContact CD1-O 3.5Å; Y250-G264 VanDerWaalsContact CE1-CA 3.49Å; Y250-G264 VanDerWaalsContact CZ-CA 3.48Å; Y250-G264 PolarHBondContact N-O 3.26Å; Y250-G264 PolarHBondContact O-N 3.45Å; Y250-G264 VanDerWaalsContact O-N 3.1Å
251S95.7Very high92.2Very high33 Ų3353.1 Ų53.123%0.23127%0.27CS..EExtended strand (participates in β ladder)trans-139.5131.6172.7-175.20000109.3S93S93-S251 PolarHBondContact N-O 3.19Å; S93-S251 PolarHBondContact O-N 3.13Å
252I96.4Very high92.9Very high2 Ų248.5 Ų48.51%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-116.8116.9-179.7-60.7165.8000107.2I82 L90 K91 V92 L117 Y250 I260 K261 A262I82-I252 HydrophobicContact CD1-CD1 3.77Å; I82-I252 HydrophobicContact CD1-CG1 4.25Å; I82-I252 HydrophobicContact CD1-CG2 4.28Å; I82-I252 HydrophobicContact CG1-CD1 4.26Å; L90-I252 HydrophobicContact CB-CG2 4.14Å; L90-I252 HydrophobicContact CD1-CG2 3.88Å; L90-I252 HydrophobicContact CD2-CG2 4.02Å; L90-I252 HydrophobicContact CG-CG2 4.22Å; K91-I252 CarbonylContact O-C 3.59Å; K91-I252 WeakPolarHBondContact O-CA 3.44Å; V92-I252 HydrophobicContact CG1-CG1 4.31Å; V92-I252 HydrophobicContact CG2-CG1 4.39Å; L117-I252 HydrophobicContact CD1-CD1 4.36Å; L117-I252 HydrophobicContact CD2-CD1 4.04Å; Y250-I252 HydrophobicContact CD2-CD1 4.3Å; Y250-I252 HydrophobicContact CD2-CG1 4.43Å; Y250-I252 HydrophobicContact CE2-CD1 4.42Å; I252-I260 CarbonylContact O-C 3.5Å; I252-K261 HydrophobicContact CG2-CB 4.23Å; I252-K261 PolarHBondContact O-N 3.21Å; I252-A262 HydrophobicContact CB-CB 4.18Å; I252-A262 HydrophobicContact CD1-CB 3.88Å; I252-A262 HydrophobicContact CG1-CB 4.43Å; I252-A262 PolarHBondContact N-O 3.22Å; I252-A262 PolarHBondContact O-N 2.71Å
253I96.2Very high93.3Very high51 Ų5150.9 Ų50.926%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-114.6134.1-176.3-64174.4000109.9L90 K91 K255 I259 I260L90-I253 CarbonylContact C-O 3.58Å; L90-I253 WeakPolarHBondContact CA-O 3.36Å; K91-I253 HydrophobicContact CB-CB 4.43Å; K91-I253 PolarHBondContact N-O 3.28Å; K91-I253 PolarHBondContact O-N 3.33Å; I253-K255 PolarHBondContact O-N 3.35Å; I253-I259 WeakPolarHBondContact CA-O 3.49Å; I253-I260 HydrophobicContact CG1-CG1 4.34Å
254V96.3Very high93.7Very high27 Ų2744.8 Ų44.816%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-74.2110.5169.2-176.20000108.8L90 S256 R257 G258 I259 K261L90-V254 HydrophobicContact CD2-CG2 3.96Å; V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.22Å; V254-R257 HydrophobicContact CG1-CG 4.48Å; V254-R257 PolarHBondContact O-N 3.13Å; V254-R257 VanDerWaalsContact O-N 3.11Å; V254-G258 PolarHBondContact O-N 2.97Å; V254-I259 PolarHBondContact N-O 3.19Å; V254-K261 HydrophobicContact CG2-CB 4.06Å
255K94.1Very high94Very high111 Ų11144.3 Ų44.348%0.48323%0.23SC..THydrogen-bonded Turntrans-54.8-43-171.8-71.8171.4178.4158.60112.7E88 E89 L90 K91 I253 R257E88-K255 WeakPolarHBondContact O-CD 3.36Å; E88-K255 PolarHBondContact O-NZ 2.88Å; E89-K255 VanDerWaalsContact O-CB 3.31Å; E89-K255 WeakPolarHBondContact O-CB 3.31Å; E89-K255 WeakPolarHBondContact O-CG 3.49Å; E89-K255 PolarHBondContact O-N 2.91Å; L90-K255 WeakPolarHBondContact O-CE 3.25Å; L90-K255 PolarHBondContact O-NZ 3.35Å; L90-K255 VanDerWaalsContact O-NZ 3.14Å; K91-K255 HydrophobicContact CB-CG 4.14Å; I253-K255 PolarHBondContact O-N 3.35Å; K255-R257 VanDerWaalsContact C-N 3.27Å; K255-R257 PolarHBondContact O-N 3.38Å
256S92.9Very high94.3Very high97 Ų9744.4 Ų44.468%0.67823%0.231SC*.THydrogen-bonded Turntrans-68.8-21.1-176.659.10000114.5V254V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.22Å
257R92Very high94.4Very high192 Ų19244.3 Ų44.373%0.72523%0.231SC*.THydrogen-bonded Turntrans-120.5-14.6-174.9-57.4-176.7-172178.73.4113.8V254 K255 I259V254-R257 HydrophobicContact CG1-CG 4.48Å; V254-R257 PolarHBondContact O-N 3.13Å; V254-R257 VanDerWaalsContact O-N 3.11Å; K255-R257 VanDerWaalsContact C-N 3.27Å; K255-R257 PolarHBondContact O-N 3.38Å; R257-I259 HydrophobicContact CB-CB 4.34Å; R257-I259 HydrophobicContact CB-CD1 3.76Å; R257-I259 HydrophobicContact CB-CG1 3.82Å; R257-I259 PolarHBondContact O-N 3.26Å
258G92Very high94.3Very high58 Ų5844.9 Ų44.960%0.59823%0.233SC*.THydrogen-bonded Turntrans64.320.1-172.900000113.7V254V254-G258 PolarHBondContact O-N 2.97Å
259I92.3Very high94.1Very high99 Ų9944.9 Ų44.951%0.50823%0.233SC..EExtended strand (participates in β ladder)trans-94.3135.4-176.3-63.1172.2000109.8I253 V254 R257 K261I253-I259 WeakPolarHBondContact CA-O 3.49Å; V254-I259 PolarHBondContact N-O 3.19Å; R257-I259 HydrophobicContact CB-CB 4.34Å; R257-I259 HydrophobicContact CB-CD1 3.76Å; R257-I259 HydrophobicContact CB-CG1 3.82Å; R257-I259 PolarHBondContact O-N 3.26Å; I259-K261 PolarHBondContact O-N 2.85Å
260I92.9Very high93.8Very high80 Ų8045.6 Ų45.641%0.4124%0.238SC..EExtended strand (participates in β ladder)trans-68.8112.3171.6-58.2175000108.6V26 I252 I253 K263V26-I260 HydrophobicContact CG2-CG2 3.9Å; I252-I260 CarbonylContact O-C 3.5Å; I253-I260 HydrophobicContact CG1-CG1 4.34Å; I260-K263 HydrophobicContact CG2-CB 4.25Å
261K92.6Very high93.3Very high45 Ų4548.7 Ų48.720%0.19625%0.25CC..EExtended strand (participates in β ladder)trans-77.3-48.5172-178.3175.8178.3-179.80110.5N24 E80 E86 L90 I252 V254 I259N24-K261 PolarHBondContact ND2-O 2.84Å; E80-K261 WeakPolarHBondContact OE1-CE 3.47Å; E80-K261 IonicContact OE1-NZ 3.63Å; E80-K261 PolarHBondContact OE1-NZ 3.46Å; E86-K261 IonicContact OE1-NZ 3.26Å; E86-K261 PolarHBondContact OE1-NZ 2.93Å; E86-K261 IonicContact OE2-NZ 3.02Å; E86-K261 PolarHBondContact OE2-NZ 2.78Å; L90-K261 HydrophobicContact CD1-CD 4.29Å; L90-K261 HydrophobicContact CD2-CD 3.9Å; I252-K261 HydrophobicContact CG2-CB 4.23Å; I252-K261 PolarHBondContact O-N 3.21Å; V254-K261 HydrophobicContact CG2-CB 4.06Å; I259-K261 PolarHBondContact O-N 2.85Å
262A92.9Very high92.3Very high2 Ų248.5 Ų48.52%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-146148.5-179.200000111.7N24 I252N24-A262 HydrophobicContact CB-CB 4.26Å; N24-A262 WeakPolarHBondContact ND2-CB 3.48Å; N24-A262 WeakPolarHBondContact OD1-CA 3.36Å; I252-A262 HydrophobicContact CB-CB 4.18Å; I252-A262 HydrophobicContact CD1-CB 3.88Å; I252-A262 HydrophobicContact CG1-CB 4.43Å; I252-A262 PolarHBondContact N-O 3.22Å; I252-A262 PolarHBondContact O-N 2.71Å
263K93.5Very high90.4Very high56 Ų5653 Ų5324%0.24328%0.28CS..EExtended strand (participates in β ladder)trans-145152.7169.174.6172.9-172.3146.10109.9N24 L25 V26 E42 Y250 I260N24-K263 WeakPolarHBondContact CA-O 3.31Å; N24-K263 PolarHBondContact OD1-N 2.97Å; L25-K263 HydrophobicContact CB-CG 4.01Å; L25-K263 WeakPolarHBondContact CG-O 3.49Å; L25-K263 PolarHBondContact N-O 3.28Å; V26-K263 HydrophobicContact CG2-CG 4.07Å; E42-K263 IonicContact OE1-NZ 2.67Å; E42-K263 PolarHBondContact OE1-NZ 3.31Å; E42-K263 IonicContact OE2-NZ 3.94Å; E42-K263 PolarHBondContact OE2-NZ 2.96Å; Y250-K263 VanDerWaalsContact O-CA 3.28Å; Y250-K263 WeakPolarHBondContact O-CA 3.43Å; I260-K263 HydrophobicContact CG2-CB 4.25Å
264G93.8Very high88Confident1 Ų157 Ų571%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-179.1-172.4176.400000112.9R249 Y250R249-G264 CarbonylContact C-O 3.55Å; R249-G264 WeakPolarHBondContact CA-O 3.43Å; Y250-G264 VanDerWaalsContact CD1-C 3.49Å; Y250-G264 VanDerWaalsContact CD1-O 3.3Å; Y250-G264 WeakPolarHBondContact CD1-O 3.5Å; Y250-G264 VanDerWaalsContact CE1-CA 3.49Å; Y250-G264 VanDerWaalsContact CZ-CA 3.48Å; Y250-G264 PolarHBondContact N-O 3.26Å; Y250-G264 PolarHBondContact O-N 3.45Å; Y250-G264 VanDerWaalsContact O-N 3.1Å
265Y95Very high85.1Confident2 Ų263.5 Ų63.51%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-125.8142.7-178.9-55.8-90.5000110.7T22 L25 E42 I43 L220 V247 L248 R249T22-Y265 HydrophobicContact CG2-CD2 4.4Å; T22-Y265 PolarHBondContact N-O 2.9Å; T22-Y265 PolarHBondContact OG1-N 3.04Å; T22-Y265 PolarHBondContact OG1-O 2.99Å; L25-Y265 HydrophobicContact CD1-CD2 3.68Å; L25-Y265 HydrophobicContact CD1-CE2 3.43Å; L25-Y265 VanDerWaalsContact CD1-CE2 3.43Å; E42-Y265 HydrophobicContact CG-CE2 4.2Å; E42-Y265 WeakPolarHBondContact OE1-CE2 3.36Å; E42-Y265 PolarHBondContact OE1-OH 2.75Å; I43-Y265 HydrophobicContact CB-CE1 4.41Å; I43-Y265 HydrophobicContact CB-CE2 4.43Å; I43-Y265 HydrophobicContact CD1-CD1 3.86Å; I43-Y265 HydrophobicContact CD1-CE1 4.27Å; I43-Y265 HydrophobicContact CD1-CG 4.18Å; I43-Y265 HydrophobicContact CG1-CD1 4.33Å; I43-Y265 HydrophobicContact CG1-CD2 4.5Å; I43-Y265 HydrophobicContact CG1-CG 4.28Å; L220-Y265 HydrophobicContact CD2-CE1 4.26Å; V247-Y265 HydrophobicContact CG1-CD1 3.98Å; L248-Y265 CarbonylContact O-C 3.6Å; L248-Y265 VanDerWaalsContact O-CA 3.26Å; L248-Y265 WeakPolarHBondContact O-CA 3.28Å; R249-Y265 HydrophobicContact CB-CD1 3.78Å; R249-Y265 HydrophobicContact CB-CE1 3.68Å; R249-Y265 HydrophobicContact CG-CD1 4Å; R249-Y265 HydrophobicContact CG-CE1 3.58Å
266L95.2Very high82.1Confident11 Ų1166.5 Ų66.56%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-107.4136.8157.4-58.8179.7000107.6L20 H21 K112 A113 A116 W246 L248L20-L266 CarbonylContact O-C 3.59Å; L20-L266 VanDerWaalsContact O-CA 3.3Å; L20-L266 WeakPolarHBondContact O-CA 3.41Å; H21-L266 HydrophobicContact CB-CD2 3.6Å; H21-L266 WeakPolarHBondContact CD2-CD2 3.47Å; H21-L266 VanDerWaalsContact CG-CD2 3.42Å; K112-L266 HydrophobicContact CB-CD1 4.43Å; A113-L266 HydrophobicContact CB-CD1 3.96Å; A116-L266 HydrophobicContact CB-CD1 4.24Å; A116-L266 HydrophobicContact CB-CD2 4.18Å; W246-L266 HydrophobicContact CH2-CB 4.31Å; W246-L266 HydrophobicContact CZ3-CB 3.83Å; L248-L266 HydrophobicContact CB-CB 4.28Å; L248-L266 HydrophobicContact CD2-CD1 4.3Å; L248-L266 HydrophobicContact CD2-CG 4.45Å; L248-L266 PolarHBondContact N-O 3.39Å; L248-L266 PolarHBondContact O-N 3.42Å
267V94.3Very high79.1Confident2 Ų268 Ų681%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-130.1134.4-178-177.50000108.5N19 L20 I43 V47 F226 L244 V247N19-V267 CarbonylContact C-O 3.52Å; N19-V267 WeakPolarHBondContact CA-O 3.05Å; L20-V267 HydrophobicContact CB-CB 4.03Å; L20-V267 HydrophobicContact CD1-CB 4.25Å; L20-V267 HydrophobicContact CD1-CG1 4.38Å; L20-V267 HydrophobicContact CG-CB 4.36Å; L20-V267 PolarHBondContact N-O 3.18Å; L20-V267 PolarHBondContact O-N 2.73Å; I43-V267 HydrophobicContact CD1-CG2 4.44Å; V47-V267 HydrophobicContact CG2-CG2 4.24Å; F226-V267 HydrophobicContact CE2-CG1 4.07Å; L244-V267 HydrophobicContact CD2-CG1 3.21Å; V247-V267 HydrophobicContact CG1-CG2 4.46Å; V247-V267 HydrophobicContact CG2-CG1 4.37Å; V247-V267 HydrophobicContact CG2-CG2 4.45Å
268H93.4Very high76.2Confident13 Ų1370 Ų706%0.0637%0.374CS..EExtended strand (participates in β ladder)trans-121.7129.3172.2-172.686.9000110.2T17 L18 N19 E245 W246T17-H268 WeakPolarHBondContact CG2-CE1 3.28Å; L18-H268 WeakPolarHBondContact O-CA 3.39Å; N19-H268 PolarHBondContact OD1-ND1 2.89Å; E245-H268 PolarHBondContact N-O 2.96Å; E245-H268 IonicContact OE2-CD2 2.88Å; E245-H268 PolarHBondContact OE2-CD2 3.27Å; E245-H268 IonicContact OE2-NE2 3.61Å; E245-H268 PolarHBondContact OE2-NE2 3.14Å; W246-H268 HydrophobicContact CD2-CB 3.63Å; W246-H268 AromaticContact CE2-CG 3.79Å; W246-H268 HydrophobicContact CE3-CB 4.17Å; W246-H268 HydrophobicContact CG-CB 4.12Å; W246-H268 HydrophobicContact CH2-CB 3.9Å; W246-H268 HydrophobicContact CZ2-CB 3.33Å; W246-H268 AromaticContact CZ2-CG 3.92Å; W246-H268 HydrophobicContact CZ3-CB 4.28Å; W246-H268 VanDerWaalsContact NE1-CB 3.3Å; W246-H268 AromaticContact NE1-CD2 3.78Å; W246-H268 AromaticContact NE1-CG 3.55Å; W246-H268 PolarHBondContact O-N 2.92Å; W246-H268 VanDerWaalsContact O-N 3.08Å
269A91.4Very high75.4Confident0 Ų070.6 Ų70.60%036%0.362CS..EExtended strand (participates in β ladder)trans-132.9145.7175.700000110.9L18 F226 W242 R243 L244L18-A269 HydrophobicContact CB-CB 4.36Å; L18-A269 PolarHBondContact N-O 2.99Å; L18-A269 PolarHBondContact O-N 3.4Å; F226-A269 HydrophobicContact CE1-CB 3.8Å; F226-A269 HydrophobicContact CZ-CB 3.74Å; W242-A269 HydrophobicContact CE3-CB 4.16Å; R243-A269 CarbonylContact O-C 3.56Å; R243-A269 WeakPolarHBondContact O-CA 3.39Å; R243-A269 VanDerWaalsContact O-CB 3.27Å; R243-A269 WeakPolarHBondContact O-CB 3.2Å; L244-A269 HydrophobicContact CD2-CB 4.31Å
270K89.5Confident74.5Confident71 Ų7169.1 Ų69.131%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-114.8148.6169.5-69.3-165.2-168.4133.70110.5T16 W242 R243 E245T16-K270 CarbonylContact O-C 3.56Å; T16-K270 VanDerWaalsContact O-CA 3.3Å; T16-K270 WeakPolarHBondContact O-CA 3.33Å; W242-K270 CarbonylContact C-O 3.51Å; W242-K270 WeakPolarHBondContact CA-O 3.44Å; R243-K270 PolarHBondContact N-O 3.44Å; R243-K270 PolarHBondContact O-N 2.92Å; E245-K270 VanDerWaalsContact CD-NZ 3.29Å; E245-K270 HydrophobicContact CG-CG 4.28Å; E245-K270 WeakPolarHBondContact OE1-CD 3.48Å; E245-K270 WeakPolarHBondContact OE1-CE 3.43Å; E245-K270 WeakPolarHBondContact OE1-CG 3.49Å; E245-K270 IonicContact OE1-NZ 2.81Å; E245-K270 PolarHBondContact OE1-NZ 3.27Å; E245-K270 WeakPolarHBondContact OE2-CE 3.22Å; E245-K270 IonicContact OE2-NZ 3.07Å; E245-K270 PolarHBondContact OE2-NZ 3.21Å; E245-K270 VanDerWaalsContact OE2-NZ 3.16Å
271R86.4Confident73.5Confident70 Ų7068.5 Ų68.526%0.26435%0.352SS..EExtended strand (participates in β ladder)trans-77.2128.1171.6-174173.664.2-166.15.3109.2N13 H14 A15 T16 A240 W242 S273N13-R271 PolarHBondContact O-NH1 2.81Å; H14-R271 PolarHBondContact O-NH1 3.36Å; H14-R271 VanDerWaalsContact O-NH1 3.16Å; H14-R271 PolarHBondContact O-NH2 3.28Å; A15-R271 PolarHBondContact O-NE 2.77Å; A15-R271 PolarHBondContact O-NH1 3.48Å; T16-R271 PolarHBondContact O-N 2.65Å; A240-R271 HydrophobicContact CB-CG 3.79Å; W242-R271 HydrophobicContact CD2-CB 4.47Å; W242-R271 HydrophobicContact CE3-CB 4.17Å; W242-R271 HydrophobicContact CH2-CB 4.43Å; W242-R271 HydrophobicContact CZ3-CB 4.14Å; R271-S273 PolarHBondContact O-N 2.73Å; R271-S273 VanDerWaalsContact O-N 3.08Å
272S74.3Confident72.4Confident28 Ų2869.9 Ų69.920%0.19636%0.361CS..  trans-58.8113.3168.7-1740000108.4D241 R243 L274D241-S272 VanDerWaalsContact O-CB 3.25Å; D241-S272 WeakPolarHBondContact O-CB 3.38Å; D241-S272 PolarHBondContact O-N 2.86Å; R243-S272 PolarHBondContact NH2-OG 3.42Å; S272-L274 PolarHBondContact O-N 3.31Å
273S58.2Low71.1Confident96 Ų9674.1 Ų74.167%0.67138%0.382SS*.  trans-65.5108.9167.354.40000107.4R271 Q275R271-S273 PolarHBondContact O-N 2.73Å; R271-S273 VanDerWaalsContact O-N 3.08Å; S273-Q275 VanDerWaalsContact C-N 3.27Å; S273-Q275 PolarHBondContact O-N 3.15Å
274L44.2Very low69.6Low136 Ų13675.3 Ų75.371%0.71239%0.392SS*.  trans-58.7102.6156.1-81161.6000105.5S272 H276S272-L274 PolarHBondContact O-N 3.31Å; L274-H276 VanDerWaalsContact C-N 3.25Å; L274-H276 PolarHBondContact O-N 3.17Å
275Q36Very low67.9Low163 Ų16380.6 Ų80.676%0.76242%0.419SS*.  trans-56.3107.6151.6-78.8-177.7-9.500104.2S273 V277S273-Q275 VanDerWaalsContact C-N 3.27Å; S273-Q275 PolarHBondContact O-N 3.15Å; Q275-V277 PolarHBondContact O-N 3.29Å
276H31.2Very low65.8Low174 Ų17486.7 Ų86.781%0.80645%0.451SS*.  trans-57.193.1158.4-92.6-92.7000105.4L274 L278L274-H276 VanDerWaalsContact C-N 3.25Å; L274-H276 PolarHBondContact O-N 3.17Å; H276-L278 VanDerWaalsContact C-N 3.29Å; H276-L278 PolarHBondContact O-N 3.42Å
277V29.7Very low63.3Low130 Ų13093 Ų9379%0.78848%0.483SS*.  trans-65.8103.7161.4-176.40000103.8Q275Q275-V277 PolarHBondContact O-N 3.29Å
278L31.4Very low60.5Low233 Ų233101.3 Ų101.3100%1.2253%0.526SS*.  trans-54.30171.6-78.7161.7000111.1H276H276-L278 VanDerWaalsContact C-N 3.29Å; H276-L278 PolarHBondContact O-N 3.42Å

Retrieved 278 of 278 residues in 1157.7 ms (Link to these results)

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