A0A3Q0KRP0_SCHMA Loading...

Ecdysoneless homolog (Drosophila)

AlphaFold DB , UniProt , Accession A0A3Q0KRP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 853 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
1M44.7Very low86Confident217 Ų21742.4 Ų42.4100%1.06921%0.21SC*.  0126.90-84.4174.2176.200105.3E96M1-E96 WeakPolarHBondContact CA-OE2 3.44Å; M1-E96 WeakPolarHBondContact CB-OE2 3.48Å
2R62.6Low86.4Confident54 Ų5440.3 Ų40.320%0.20420%0.2CC..  trans-106.4121.5-170.5-88.2-160.2-167.3150.310.5108.1S4 E96 N397 T400 T401R2-S4 VanDerWaalsContact C-N 3.3Å; R2-S4 WeakPolarHBondContact O-CB 3.35Å; R2-S4 PolarHBondContact O-N 3.29Å; R2-E96 WeakPolarHBondContact CA-OE1 3.27Å; R2-E96 VanDerWaalsContact N-CD 3.33Å; R2-E96 PolarHBondContact N-OE1 3.02Å; R2-E96 PolarHBondContact N-OE2 3.16Å; R2-E96 WeakPolarHBondContact O-CG 3.31Å; R2-E96 VanDerWaalsContact O-OE2 3.12Å; R2-N397 PolarHBondContact NH1-O 3.45Å; R2-N397 PolarHBondContact NH2-O 3.09Å; R2-T400 PolarHBondContact NH1-OG1 3.47Å; R2-T401 VanDerWaalsContact NH2-CG2 3.3Å; R2-T401 PolarHBondContact NH2-OG1 3.3Å
3N82.1Confident86.7Confident42 Ų4244.3 Ų44.323%0.22522%0.223CC..  trans-64.190.6-172.9-165.110.4000111C65 G66 E72 E96N3-C65 PolarHBondContact O-N 3.03Å; N3-G66 WeakPolarHBondContact CB-O 3.4Å; N3-G66 PolarHBondContact ND2-O 3.14Å; N3-E72 PolarHBondContact ND2-OE1 3.46Å; N3-E72 PolarHBondContact OD1-OE1 3.43Å; N3-E96 WeakPolarHBondContact CA-OE1 3.2Å; N3-E96 PolarHBondContact N-OE1 3.42Å
4S88.8Confident86.6Confident24 Ų2447.9 Ų47.917%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-116.5129-171.273.70000109.3R2 V63 D95R2-S4 VanDerWaalsContact C-N 3.3Å; R2-S4 WeakPolarHBondContact O-CB 3.35Å; R2-S4 PolarHBondContact O-N 3.29Å; S4-V63 CarbonylContact C-O 3.59Å; S4-V63 VanDerWaalsContact CA-O 3.31Å; S4-V63 WeakPolarHBondContact CA-O 3.49Å; S4-D95 WeakPolarHBondContact O-CA 3.28Å
5L93.7Very high86.8Confident1 Ų145.5 Ų45.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-100.7116.5178.6-16970.9000109.1C62 V63 I75 V93 D95 F100L5-C62 VanDerWaalsContact O-CA 3.31Å; L5-C62 WeakPolarHBondContact O-CA 3.24Å; L5-V63 PolarHBondContact N-O 2.9Å; L5-V63 PolarHBondContact O-N 2.86Å; L5-I75 HydrophobicContact CD2-CB 3.68Å; L5-I75 HydrophobicContact CD2-CD1 3.94Å; L5-I75 HydrophobicContact CD2-CG1 4.43Å; L5-I75 HydrophobicContact CD2-CG2 3.55Å; L5-V93 HydrophobicContact CD1-CG1 3.7Å; L5-V93 HydrophobicContact CD2-CG1 4.14Å; L5-V93 HydrophobicContact CG-CG1 3.96Å; L5-D95 HydrophobicContact CD1-CB 4.17Å; L5-F100 HydrophobicContact CD1-CD1 4.47Å; L5-F100 HydrophobicContact CD1-CE1 3.54Å; L5-F100 HydrophobicContact CD1-CZ 3.74Å
6S94.7Very high87.1Confident30 Ų3048.1 Ų48.121%0.2126%0.256CS..EExtended strand (participates in β ladder)trans-104.8135.8177.4-68.30000110.7G61 V93 T94S6-G61 CarbonylContact C-O 3.58Å; S6-G61 WeakPolarHBondContact CA-O 3.3Å; S6-V93 WeakPolarHBondContact O-CA 3.27Å; S6-T94 PolarHBondContact N-O 3.11Å; S6-T94 PolarHBondContact O-N 3.01Å; S6-T94 VanDerWaalsContact O-O 3.05Å
7Y96.6Very high87.2Confident1 Ų153 Ų530%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-141.3142.2179.744.9-86.1000112.4L9 F45 K46 L47 F60 G61 V63 I75 L79 Q92Y7-L9 HydrophobicContact CD2-CD1 3.81Å; Y7-F45 HydrophobicContact CD2-CE2 4.19Å; Y7-F45 HydrophobicContact CE1-CD2 4.36Å; Y7-F45 HydrophobicContact CE1-CE2 4.28Å; Y7-F45 HydrophobicContact CE2-CD2 4.03Å; Y7-F45 AromaticContact CE2-CE2 3.34Å; Y7-F45 HydrophobicContact CE2-CE2 3.34Å; Y7-F45 AromaticContact CE2-CZ 3.79Å; Y7-F45 HydrophobicContact CE2-CZ 3.79Å; Y7-F45 AromaticContact CZ-CD2 3.6Å; Y7-F45 AromaticContact CZ-CE2 3.41Å; Y7-F45 VanDerWaalsContact CZ-CE2 3.41Å; Y7-F45 WeakPolarHBondContact OH-CD2 3.29Å; Y7-F45 WeakPolarHBondContact OH-CE2 3.5Å; Y7-K46 WeakPolarHBondContact CE2-O 3.37Å; Y7-K46 PolarHBondContact OH-N 3.14Å; Y7-K46 VanDerWaalsContact OH-N 3.1Å; Y7-K46 PolarHBondContact OH-O 3.15Å; Y7-L47 HydrophobicContact CD2-CD2 4.16Å; Y7-L47 HydrophobicContact CE2-CD2 3.7Å; Y7-F60 CarbonylContact O-C 3.27Å; Y7-F60 WeakPolarHBondContact O-CA 3.43Å; Y7-F60 VanDerWaalsContact O-CD2 3.25Å; Y7-F60 WeakPolarHBondContact O-CD2 3.42Å; Y7-G61 VanDerWaalsContact CE2-CA 3.42Å; Y7-G61 PolarHBondContact N-O 2.89Å; Y7-G61 PolarHBondContact O-N 2.93Å; Y7-V63 HydrophobicContact CE1-CG2 3.9Å; Y7-V63 VanDerWaalsContact OH-CG2 3.29Å; Y7-V63 WeakPolarHBondContact OH-CG2 3.24Å; Y7-I75 HydrophobicContact CD1-CG2 4.05Å; Y7-I75 HydrophobicContact CE1-CG2 3.86Å; Y7-L79 HydrophobicContact CD1-CD1 4.15Å; Y7-L79 HydrophobicContact CD2-CD1 4.15Å; Y7-L79 HydrophobicContact CD2-CD2 3.84Å; Y7-L79 HydrophobicContact CE2-CD2 4.32Å; Y7-L79 HydrophobicContact CG-CD1 3.72Å; Y7-L79 HydrophobicContact CG-CD2 4.28Å; Y7-Q92 CarbonylContact C-O 3.54Å; Y7-Q92 WeakPolarHBondContact CA-O 3.5Å; Y7-Q92 WeakPolarHBondContact CB-O 3.13Å
8K95.7Very high87.3Confident83 Ų8357.1 Ų57.136%0.36129%0.293SS..EExtended strand (participates in β ladder)trans-125.1121-178.8-63.9172.5-174.4165.30109.1F58 L59 F60 I91 Q92K8-F58 HydrophobicContact CB-CD2 4.42Å; K8-F58 HydrophobicContact CB-CE2 4.36Å; K8-F58 HydrophobicContact CG-CE2 4.1Å; K8-L59 CarbonylContact C-O 3.54Å; K8-L59 WeakPolarHBondContact CA-O 3.2Å; K8-F60 HydrophobicContact CG-CD2 3.86Å; K8-F60 HydrophobicContact CG-CE2 4.39Å; K8-I91 CarbonylContact O-C 3.59Å; K8-I91 VanDerWaalsContact O-CA 3.27Å; K8-I91 WeakPolarHBondContact O-CA 3.46Å; K8-Q92 HydrophobicContact CB-CB 4.48Å; K8-Q92 PolarHBondContact N-O 3.12Å; K8-Q92 PolarHBondContact O-N 2.89Å
9L97.2Very high87.6Confident0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-104.4107.3174.4-65.470000107.8Y7 Y27 L47 F58 L59 L79 I82 V89 I91Y7-L9 HydrophobicContact CD2-CD1 3.81Å; L9-Y27 HydrophobicContact CD2-CD2 3.99Å; L9-Y27 HydrophobicContact CD2-CE2 3.98Å; L9-L47 HydrophobicContact CD1-CD2 3.73Å; L9-L47 HydrophobicContact CD2-CD2 4.22Å; L9-F58 WeakPolarHBondContact O-CB 3.3Å; L9-L59 HydrophobicContact CB-CB 4.09Å; L9-L59 HydrophobicContact CD2-CD1 4.41Å; L9-L59 PolarHBondContact N-O 3Å; L9-L59 PolarHBondContact O-N 3.1Å; L9-L79 HydrophobicContact CD1-CD2 3.9Å; L9-L79 HydrophobicContact CG-CD2 4.47Å; L9-I82 HydrophobicContact CD2-CD1 4.13Å; L9-I82 HydrophobicContact CD2-CG2 3.91Å; L9-V89 HydrophobicContact CB-CG2 3.78Å; L9-V89 HydrophobicContact CG-CG2 4.49Å; L9-I91 HydrophobicContact CB-CG1 4.45Å; L9-I91 HydrophobicContact CD1-CG2 4.12Å; L9-I91 HydrophobicContact CD2-CD1 4.24Å; L9-I91 HydrophobicContact CG-CD1 3.99Å; L9-I91 HydrophobicContact CG-CG1 3.92Å; L9-I91 HydrophobicContact CG-CG2 4.06Å
10I95.4Very high87.8Confident7 Ų753.4 Ų53.44%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-107130.5-176.9-56.3174.8000109.3F58 I90 W123 L142 L146I10-F58 HydrophobicContact CG1-CB 4.2Å; I10-F58 HydrophobicContact CG1-CD2 4.44Å; I10-I90 HydrophobicContact CB-CD1 4.48Å; I10-I90 HydrophobicContact CB-CG1 4.02Å; I10-I90 PolarHBondContact N-O 2.92Å; I10-I90 WeakPolarHBondContact O-CG1 3.14Å; I10-I90 PolarHBondContact O-N 3.2Å; I10-W123 HydrophobicContact CD1-CH2 3.88Å; I10-W123 HydrophobicContact CD1-CZ3 3.94Å; I10-L142 HydrophobicContact CD1-CD1 3.85Å; I10-L142 HydrophobicContact CD1-CD2 4.46Å; I10-L146 HydrophobicContact CB-CD2 4.41Å; I10-L146 HydrophobicContact CD1-CD2 4.35Å; I10-L146 HydrophobicContact CG2-CD1 4.44Å; I10-L146 HydrophobicContact CG2-CD2 3.68Å
11F95Very high87.9Confident7 Ų751.5 Ų51.53%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-82.8135.9175.2-49.7-61.4000110.3N13 T15 A20 K23 Y27 F57 L59 V89F11-N13 VanDerWaalsContact C-N 3.3Å; F11-N13 PolarHBondContact O-N 3.43Å; F11-T15 VanDerWaalsContact CB-OG1 3.31Å; F11-T15 WeakPolarHBondContact CB-OG1 3.36Å; F11-T15 HydrophobicContact CD2-CG2 3.82Å; F11-T15 HydrophobicContact CE2-CG2 4.11Å; F11-T15 HydrophobicContact CG-CG2 4.46Å; F11-A20 HydrophobicContact CE2-CB 3.99Å; F11-K23 HydrophobicContact CD1-CD 3.71Å; F11-K23 HydrophobicContact CE1-CB 4.07Å; F11-K23 HydrophobicContact CE1-CD 3.35Å; F11-K23 HydrophobicContact CE1-CG 4.33Å; F11-K23 HydrophobicContact CG-CD 4.49Å; F11-K23 HydrophobicContact CZ-CB 3.93Å; F11-K23 HydrophobicContact CZ-CD 3.85Å; F11-K23 HydrophobicContact CZ-CG 4.49Å; F11-Y27 HydrophobicContact CE1-CE2 4.2Å; F11-Y27 WeakPolarHBondContact CE1-OH 3.47Å; F11-F57 WeakPolarHBondContact CD2-O 3.37Å; F11-L59 HydrophobicContact CE2-CG 4.26Å; F11-L59 HydrophobicContact CZ-CD1 3.98Å; F11-L59 HydrophobicContact CZ-CD2 4.39Å; F11-L59 HydrophobicContact CZ-CG 3.8Å; F11-V89 HydrophobicContact CD1-CB 4.4Å; F11-V89 HydrophobicContact CD1-CG2 4Å; F11-V89 HydrophobicContact CE1-CG2 4.08Å
12L90.8Very high90Very high17 Ų1747.6 Ų47.69%0.08925%0.25CS..SBendtrans-63.3-38.4179.9-65.6178.6000112.2E88 I90 Y125 F149 R150L12-E88 WeakPolarHBondContact CG-O 3.4Å; L12-E88 PolarHBondContact N-O 3.11Å; L12-I90 HydrophobicContact CD2-CD1 4.35Å; L12-I90 HydrophobicContact CD2-CG1 4.42Å; L12-I90 HydrophobicContact CD2-CG2 3.94Å; L12-Y125 HydrophobicContact CD1-CE2 3.97Å; L12-F149 HydrophobicContact CD2-CB 3.45Å; L12-F149 VanDerWaalsContact CD2-CB 3.45Å; L12-F149 HydrophobicContact CD2-CG 4.42Å; L12-R150 PolarHBondContact O-NE 2.68Å; L12-R150 PolarHBondContact O-NH2 2.89Å
13N89.3Confident91.5Very high93 Ų9346.3 Ų46.350%0.49725%0.246SC..SBendtrans-89.9144.1175.3-64.4-33.4000110.5F11 T15 E88F11-N13 VanDerWaalsContact C-N 3.3Å; F11-N13 PolarHBondContact O-N 3.43Å; N13-T15 PolarHBondContact O-N 3Å; N13-T15 VanDerWaalsContact O-N 3.07Å; N13-T15 PolarHBondContact O-OG1 2.86Å; N13-E88 PolarHBondContact ND2-OE1 3.45Å
14S85.7Confident92Very high95 Ų9545 Ų4566%0.66424%0.238SC*.  trans-57.3117.6173.153.80000109.4
15T89.3Confident91.9Very high12 Ų1245.6 Ų45.67%0.07424%0.239CC..  trans-115.6124.9-172.7-58.90000108.6F11 N13 A19 A20 F57F11-T15 VanDerWaalsContact CB-OG1 3.31Å; F11-T15 WeakPolarHBondContact CB-OG1 3.36Å; F11-T15 HydrophobicContact CD2-CG2 3.82Å; F11-T15 HydrophobicContact CE2-CG2 4.11Å; F11-T15 HydrophobicContact CG-CG2 4.46Å; N13-T15 PolarHBondContact O-N 3Å; N13-T15 VanDerWaalsContact O-N 3.07Å; N13-T15 PolarHBondContact O-OG1 2.86Å; T15-A19 HydrophobicContact CG2-CB 3.5Å; T15-A20 HydrophobicContact CG2-CB 4.14Å; T15-F57 PolarHBondContact O-N 2.8Å
16D91.2Very high91.8Very high86 Ų8649 Ų4946%0.4626%0.256SS..  trans-70.1171.3175.374.126.6000111.5N18 A19 A20D16-N18 VanDerWaalsContact C-N 3.28Å; D16-N18 PolarHBondContact O-N 3.43Å; D16-N18 WeakPolarHBondContact OD1-CA 3.48Å; D16-N18 PolarHBondContact OD1-N 3.22Å; D16-A19 WeakPolarHBondContact OD1-CB 3.18Å; D16-A19 PolarHBondContact OD1-N 2.97Å; D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 3.18Å
17R89.5Confident91.7Very high132 Ų13247.5 Ų47.550%0.49825%0.246SC..Hα-helixtrans-62.3-33.9-178.2-179.3177.5-78.7-104.84.5112.9S21 F57R17-S21 WeakPolarHBondContact O-CB 3.43Å; R17-S21 PolarHBondContact O-N 3.28Å; R17-F57 HydrophobicContact CB-CD1 4.43Å; R17-F57 HydrophobicContact CB-CD2 3.95Å; R17-F57 HydrophobicContact CB-CE1 4.31Å; R17-F57 HydrophobicContact CB-CE2 3.82Å; R17-F57 HydrophobicContact CB-CG 4.27Å; R17-F57 HydrophobicContact CB-CZ 4.01Å; R17-F57 VanDerWaalsContact N-CD2 3.34Å
18N89.9Confident91.4Very high127 Ų12747.8 Ų47.868%0.67925%0.247SC*.Hα-helixtrans-74.4-43.5-176.2-68.6-24.4000110.9D16 A20 S21 H22D16-N18 VanDerWaalsContact C-N 3.28Å; D16-N18 PolarHBondContact O-N 3.43Å; D16-N18 WeakPolarHBondContact OD1-CA 3.48Å; D16-N18 PolarHBondContact OD1-N 3.22Å; N18-A20 VanDerWaalsContact C-N 3.35Å; N18-S21 PolarHBondContact O-N 3Å; N18-H22 WeakPolarHBondContact O-CB 3.44Å; N18-H22 PolarHBondContact O-N 3.14Å
19A91.5Very high90.9Very high40 Ų4046.8 Ų46.833%0.33124%0.244SC..Hα-helixtrans-65-39.3173.700000111.2T15 D16 H22 K23T15-A19 HydrophobicContact CG2-CB 3.5Å; D16-A19 WeakPolarHBondContact OD1-CB 3.18Å; D16-A19 PolarHBondContact OD1-N 2.97Å; A19-H22 PolarHBondContact O-N 3.22Å; A19-K23 PolarHBondContact O-N 3.1Å
20A91.8Very high90.6Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-63.6-42.3173.100000111.9F11 T15 D16 N18 K23 R24 I49 F57 L59F11-A20 HydrophobicContact CE2-CB 3.99Å; T15-A20 HydrophobicContact CG2-CB 4.14Å; D16-A20 WeakPolarHBondContact O-CB 3.49Å; D16-A20 PolarHBondContact O-N 3.18Å; N18-A20 VanDerWaalsContact C-N 3.35Å; A20-K23 PolarHBondContact O-N 2.79Å; A20-R24 VanDerWaalsContact O-CB 3.28Å; A20-R24 WeakPolarHBondContact O-CB 3.33Å; A20-R24 PolarHBondContact O-N 2.79Å; A20-I49 HydrophobicContact CB-CG2 4.08Å; A20-F57 HydrophobicContact CB-CB 3.88Å; A20-L59 HydrophobicContact CB-CD2 4.48Å
21S90Very high90.4Very high14 Ų1448.9 Ų48.910%0.09825%0.253CS..Hα-helixtrans-62.6-42173.6176.10000111.6R17 N18 R24 N25 D380R17-S21 WeakPolarHBondContact O-CB 3.43Å; R17-S21 PolarHBondContact O-N 3.28Å; N18-S21 PolarHBondContact O-N 3Å; S21-R24 WeakPolarHBondContact O-CB 3.43Å; S21-R24 PolarHBondContact O-N 3.28Å; S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.24Å; S21-N25 PolarHBondContact O-ND2 2.9Å; S21-N25 VanDerWaalsContact O-ND2 3.11Å; S21-N25 PolarHBondContact OG-ND2 2.83Å; S21-D380 PolarHBondContact OG-OD1 2.81Å; S21-D380 PolarHBondContact OG-OD2 2.87Å
22H90.1Very high90.1Very high134 Ų13448.7 Ų48.762%0.6225%0.253SS*.Hα-helixtrans-61.5-49176-173.767.1000112.1N18 A19 N25 M26N18-H22 WeakPolarHBondContact O-CB 3.44Å; N18-H22 PolarHBondContact O-N 3.14Å; A19-H22 PolarHBondContact O-N 3.22Å; H22-N25 PolarHBondContact O-N 2.74Å; H22-M26 WeakPolarHBondContact O-CB 3.45Å; H22-M26 PolarHBondContact O-N 3.39Å
23K93.1Very high90Very high28 Ų2849.5 Ų49.512%0.12226%0.257CS..Hα-helixtrans-62.2-43176.3-73.4-167.6173.6-155.70112F11 A19 A20 N25 M26 Y27 D86 E88F11-K23 HydrophobicContact CD1-CD 3.71Å; F11-K23 HydrophobicContact CE1-CB 4.07Å; F11-K23 HydrophobicContact CE1-CD 3.35Å; F11-K23 HydrophobicContact CE1-CG 4.33Å; F11-K23 HydrophobicContact CG-CD 4.49Å; F11-K23 HydrophobicContact CZ-CB 3.93Å; F11-K23 HydrophobicContact CZ-CD 3.85Å; F11-K23 HydrophobicContact CZ-CG 4.49Å; A19-K23 PolarHBondContact O-N 3.1Å; A20-K23 PolarHBondContact O-N 2.79Å; K23-N25 PolarHBondContact O-N 3.12Å; K23-M26 WeakPolarHBondContact O-CB 3.33Å; K23-M26 PolarHBondContact O-N 2.83Å; K23-Y27 HydrophobicContact CB-CE2 4.25Å; K23-Y27 WeakPolarHBondContact O-CD1 3.2Å; K23-Y27 WeakPolarHBondContact O-CD2 3.43Å; K23-Y27 PolarHBondContact O-N 3.07Å; K23-D86 WeakPolarHBondContact CD-OD2 3.37Å; K23-D86 WeakPolarHBondContact CE-OD2 3.32Å; K23-D86 IonicContact NZ-OD1 3.55Å; K23-D86 IonicContact NZ-OD2 2.78Å; K23-D86 PolarHBondContact NZ-OD2 2.97Å; K23-E88 IonicContact NZ-OE2 3.77Å; K23-E88 PolarHBondContact NZ-OE2 3.4Å
24R92.2Very high90Very high13 Ų1347.3 Ų47.35%0.04924%0.242CC..Hα-helixtrans-53.7-53.4173.9175.8-169.1176.8-113.3-14.7111.5A20 S21 M26 Y27 I28 L47 L59 F377 D380A20-R24 VanDerWaalsContact O-CB 3.28Å; A20-R24 WeakPolarHBondContact O-CB 3.33Å; A20-R24 PolarHBondContact O-N 2.79Å; S21-R24 WeakPolarHBondContact O-CB 3.43Å; S21-R24 PolarHBondContact O-N 3.28Å; R24-M26 VanDerWaalsContact C-N 3.31Å; R24-M26 PolarHBondContact O-N 2.96Å; R24-Y27 PolarHBondContact O-N 3.01Å; R24-I28 HydrophobicContact CG-CD1 3.88Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 3.46Å; R24-L47 HydrophobicContact CG-CB 4.24Å; R24-L47 PolarHBondContact NE-O 3.29Å; R24-L47 PolarHBondContact NH2-O 3.36Å; R24-L59 HydrophobicContact CB-CD1 3.93Å; R24-L59 HydrophobicContact CB-CD2 3.85Å; R24-L59 HydrophobicContact CG-CD2 4.45Å; R24-F377 PolarHBondContact NH2-O 2.88Å; R24-D380 IonicContact CZ-OD1 3.88Å; R24-D380 IonicContact NH1-OD1 3.81Å; R24-D380 PolarHBondContact NH1-OD1 2.72Å
25N88.1Confident90.1Very high37 Ų3743.3 Ų43.320%0.19821%0.214CC..Hα-helixtrans-62.9-41.3-178.6-69.8-31.1000111S21 H22 K23 Y27 I28 E29S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.24Å; S21-N25 PolarHBondContact O-ND2 2.9Å; S21-N25 VanDerWaalsContact O-ND2 3.11Å; S21-N25 PolarHBondContact OG-ND2 2.83Å; H22-N25 PolarHBondContact O-N 2.74Å; K23-N25 PolarHBondContact O-N 3.12Å; N25-Y27 PolarHBondContact O-N 3.19Å; N25-I28 PolarHBondContact O-N 3.07Å; N25-E29 WeakPolarHBondContact O-CB 3.33Å; N25-E29 PolarHBondContact O-N 2.93Å
26M90.1Very high90Very high72 Ų7243.1 Ų43.136%0.35521%0.212SC..Hα-helixtrans-58.7-43.3174.6-173.9-174.774.900112.3H22 K23 R24 F30 L85H22-M26 WeakPolarHBondContact O-CB 3.45Å; H22-M26 PolarHBondContact O-N 3.39Å; K23-M26 WeakPolarHBondContact O-CB 3.33Å; K23-M26 PolarHBondContact O-N 2.83Å; R24-M26 VanDerWaalsContact C-N 3.31Å; R24-M26 PolarHBondContact O-N 2.96Å; M26-F30 VanDerWaalsContact O-CB 3.27Å; M26-F30 WeakPolarHBondContact O-CB 3.26Å; M26-F30 PolarHBondContact O-N 3.47Å; M26-L85 HydrophobicContact CE-CD2 4.3Å
27Y93.5Very high89.7Confident0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-69.1-45.5178.9-58-23.1000112.6L9 F11 K23 R24 N25 E29 F30 L31 L47 L59 I82 L85 D86L9-Y27 HydrophobicContact CD2-CD2 3.99Å; L9-Y27 HydrophobicContact CD2-CE2 3.98Å; F11-Y27 HydrophobicContact CE1-CE2 4.2Å; F11-Y27 WeakPolarHBondContact CE1-OH 3.47Å; K23-Y27 HydrophobicContact CB-CE2 4.25Å; K23-Y27 WeakPolarHBondContact O-CD1 3.2Å; K23-Y27 WeakPolarHBondContact O-CD2 3.43Å; K23-Y27 PolarHBondContact O-N 3.07Å; R24-Y27 PolarHBondContact O-N 3.01Å; N25-Y27 PolarHBondContact O-N 3.19Å; Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 2.85Å; Y27-F30 PolarHBondContact O-N 3Å; Y27-L31 WeakPolarHBondContact O-CG 3.17Å; Y27-L31 PolarHBondContact O-N 3.3Å; Y27-L47 HydrophobicContact CD2-CD1 4.41Å; Y27-L59 HydrophobicContact CD2-CD1 3.66Å; Y27-L59 HydrophobicContact CE2-CD1 3.69Å; Y27-I82 HydrophobicContact CD1-CG2 3.98Å; Y27-I82 HydrophobicContact CD2-CD1 4.42Å; Y27-I82 HydrophobicContact CD2-CG2 3.93Å; Y27-I82 HydrophobicContact CE1-CG2 3.99Å; Y27-I82 HydrophobicContact CE2-CG2 3.93Å; Y27-I82 HydrophobicContact CG-CD1 4.27Å; Y27-I82 HydrophobicContact CG-CG1 4.38Å; Y27-I82 HydrophobicContact CG-CG2 3.96Å; Y27-L85 HydrophobicContact CD1-CD2 4.19Å; Y27-D86 HydrophobicContact CE1-CB 3.86Å; Y27-D86 WeakPolarHBondContact OH-CB 3.32Å; Y27-D86 PolarHBondContact OH-OD2 3.12Å
28I89.8Confident89.7Confident7 Ų734.7 Ų34.74%0.03618%0.175CC..Hα-helixtrans-61.3-43.4176.9-68.7173.7000110.1R24 N25 L31 S32 L47 F377R24-I28 HydrophobicContact CG-CD1 3.88Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 3.46Å; N25-I28 PolarHBondContact O-N 3.07Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-S32 WeakPolarHBondContact O-CB 3.29Å; I28-S32 PolarHBondContact O-N 2.93Å; I28-L47 HydrophobicContact CD1-CB 4.37Å; I28-L47 HydrophobicContact CG1-CD1 4.26Å; I28-F377 HydrophobicContact CD1-CB 4.45Å; I28-F377 HydrophobicContact CG2-CB 3.86Å
29E86Confident89.7Confident61 Ų6129.1 Ų29.129%0.28515%0.145SC..Hα-helixtrans-64-41.6177.1-171.7-173149.400111.4N25 Y27 S32 R346N25-E29 WeakPolarHBondContact O-CB 3.33Å; N25-E29 PolarHBondContact O-N 2.93Å; Y27-E29 VanDerWaalsContact C-N 3.3Å; Y27-E29 PolarHBondContact O-N 2.85Å; E29-S32 WeakPolarHBondContact O-CB 3.49Å; E29-S32 PolarHBondContact O-N 2.75Å; E29-S32 PolarHBondContact O-OG 3.15Å; E29-R346 WeakPolarHBondContact OE1-CD 3.41Å; E29-R346 IonicContact OE1-CZ 3.35Å; E29-R346 IonicContact OE1-NE 2.89Å; E29-R346 IonicContact OE1-NH1 2.71Å; E29-R346 PolarHBondContact OE1-NH1 3.3Å
30F90.4Very high89.6Confident51 Ų5127.7 Ų27.722%0.22413%0.131CC..Hα-helixtrans-61.3-44.2175.2174.1-106.6000112.5M26 Y27 W34 E81 L85M26-F30 VanDerWaalsContact O-CB 3.27Å; M26-F30 WeakPolarHBondContact O-CB 3.26Å; M26-F30 PolarHBondContact O-N 3.47Å; Y27-F30 PolarHBondContact O-N 3Å; F30-W34 HydrophobicContact CD1-CZ3 4.44Å; F30-W34 HydrophobicContact CE1-CH2 4.49Å; F30-W34 HydrophobicContact CE1-CZ3 4.01Å; F30-W34 HydrophobicContact CZ-CH2 4.13Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; F30-E81 HydrophobicContact CE1-CB 4.13Å; F30-L85 HydrophobicContact CB-CD2 3.99Å; F30-L85 HydrophobicContact CD1-CD2 3.85Å; F30-L85 HydrophobicContact CD2-CD2 4.11Å; F30-L85 HydrophobicContact CE1-CD2 4.35Å; F30-L85 HydrophobicContact CG-CD2 3.71Å
31L91.8Very high89.5Confident0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-81.3-14.3-178.2-65.8-179.3000114.3Y27 I28 L33 W34 C35 F45 M78 I82Y27-L31 WeakPolarHBondContact O-CG 3.17Å; Y27-L31 PolarHBondContact O-N 3.3Å; I28-L31 PolarHBondContact O-N 2.98Å; L31-L33 PolarHBondContact O-N 2.84Å; L31-L33 VanDerWaalsContact O-N 3.1Å; L31-W34 HydrophobicContact CD2-CE3 4.04Å; L31-W34 HydrophobicContact CD2-CZ3 4.09Å; L31-W34 PolarHBondContact O-N 3.42Å; L31-C35 PolarHBondContact O-N 2.81Å; L31-F45 HydrophobicContact CD1-CD1 4.2Å; L31-F45 HydrophobicContact CD1-CE1 3.7Å; L31-F45 HydrophobicContact CD1-CZ 4.08Å; L31-M78 HydrophobicContact CD1-CB 3.95Å; L31-M78 HydrophobicContact CD1-CG 4.4Å; L31-M78 HydrophobicContact CD1-SD 4.12Å; L31-M78 HydrophobicContact CD2-CB 3.99Å; L31-M78 HydrophobicContact CD2-CG 4.04Å; L31-M78 HydrophobicContact CD2-SD 4.36Å; L31-I82 HydrophobicContact CD1-CD1 3.6Å; L31-I82 HydrophobicContact CD1-CG1 3.97Å; L31-I82 HydrophobicContact CG-CD1 4.44Å; L31-I82 HydrophobicContact CG-CG1 4.33Å
32S88.6Confident89.3Confident4 Ų430.4 Ų30.43%0.02814%0.139CC..Hα-helixtrans-51-40.1-171.862.50000114I28 E29 W34 C35 I36I28-S32 WeakPolarHBondContact O-CB 3.29Å; I28-S32 PolarHBondContact O-N 2.93Å; E29-S32 WeakPolarHBondContact O-CB 3.49Å; E29-S32 PolarHBondContact O-N 2.75Å; E29-S32 PolarHBondContact O-OG 3.15Å; S32-W34 VanDerWaalsContact C-N 3.28Å; S32-W34 PolarHBondContact O-N 2.96Å; S32-C35 PolarHBondContact O-N 2.83Å; S32-I36 WeakPolarHBondContact O-CB 3.45Å; S32-I36 VanDerWaalsContact O-CD1 3.3Å; S32-I36 WeakPolarHBondContact O-CD1 3.29Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.34Å
33L87.5Confident89.1Confident34 Ų3425.4 Ų25.418%0.17812%0.117CC..Hα-helixtrans-51.8-46.6177.5174.361.1000112.3L31 Q37 Y352L31-L33 PolarHBondContact O-N 2.84Å; L31-L33 VanDerWaalsContact O-N 3.1Å; L33-Q37 WeakPolarHBondContact O-CG 3.49Å; L33-Y352 HydrophobicContact CD1-CD2 3.84Å; L33-Y352 HydrophobicContact CD1-CG 4.31Å
34W90.1Very high88.8Confident47 Ų4724.7 Ų24.718%0.17812%0.116CC..Hα-helixtrans-86.3-39.1-177.3-54.7-67.6000111.7F30 L31 S32 I36 Q37 Y38 F74 W77 P175 V178F30-W34 HydrophobicContact CD1-CZ3 4.44Å; F30-W34 HydrophobicContact CE1-CH2 4.49Å; F30-W34 HydrophobicContact CE1-CZ3 4.01Å; F30-W34 HydrophobicContact CZ-CH2 4.13Å; F30-W34 HydrophobicContact CZ-CZ3 4.09Å; L31-W34 HydrophobicContact CD2-CE3 4.04Å; L31-W34 HydrophobicContact CD2-CZ3 4.09Å; L31-W34 PolarHBondContact O-N 3.42Å; S32-W34 VanDerWaalsContact C-N 3.28Å; S32-W34 PolarHBondContact O-N 2.96Å; W34-I36 VanDerWaalsContact C-N 3.3Å; W34-I36 PolarHBondContact O-N 2.95Å; W34-Q37 PolarHBondContact O-N 2.84Å; W34-Y38 WeakPolarHBondContact O-CB 3.02Å; W34-Y38 PolarHBondContact O-N 3.48Å; W34-F74 HydrophobicContact CB-CE2 4.31Å; W34-F74 HydrophobicContact CB-CZ 3.83Å; W34-W77 AromaticContact CD2-CH2 3.8Å; W34-W77 HydrophobicContact CD2-CH2 3.8Å; W34-W77 HydrophobicContact CD2-CZ3 4.08Å; W34-W77 AromaticContact CE2-CH2 3.86Å; W34-W77 HydrophobicContact CE3-CH2 4.04Å; W34-W77 HydrophobicContact CE3-CZ3 4.2Å; W34-W77 HydrophobicContact CG-CH2 4.24Å; W34-W77 HydrophobicContact CG-CZ3 4.23Å; W34-W77 HydrophobicContact CH2-CH2 4.38Å; W34-W77 HydrophobicContact CZ2-CH2 4.15Å; W34-W77 HydrophobicContact CZ3-CH2 4.33Å; W34-P175 HydrophobicContact CG-CB 4.4Å; W34-P175 VanDerWaalsContact NE1-CB 3.3Å; W34-V178 HydrophobicContact CB-CG1 4.39Å; W34-V178 HydrophobicContact CB-CG2 4.38Å; W34-V178 WeakPolarHBondContact O-CG1 3.46Å
35C88.7Confident88.8Confident11 Ų1124.6 Ų24.67%0.07412%0.115CC..Hα-helixtrans-59.7-38.6178.4-730000112.9L31 S32 W40L31-C35 PolarHBondContact O-N 2.81Å; S32-C35 PolarHBondContact O-N 2.83Å; C35-W40 PolarHBondContact O-NE1 2.8Å
36I85.6Confident88.8Confident7 Ų724.3 Ų24.34%0.03611%0.113CC..Hα-helixtrans-71.3-44.1-179.6-62.6162.7000111.1S32 W34 K202 F343 L347 Y352 Q369 A370 H373S32-I36 WeakPolarHBondContact O-CB 3.45Å; S32-I36 VanDerWaalsContact O-CD1 3.3Å; S32-I36 WeakPolarHBondContact O-CD1 3.29Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.34Å; W34-I36 VanDerWaalsContact C-N 3.3Å; W34-I36 PolarHBondContact O-N 2.95Å; I36-K202 PolarHBondContact O-NZ 3.43Å; I36-F343 HydrophobicContact CD1-CE1 4.46Å; I36-F343 HydrophobicContact CD1-CZ 3.98Å; I36-L347 HydrophobicContact CD1-CD1 4.07Å; I36-L347 HydrophobicContact CD1-CD2 4.22Å; I36-Y352 HydrophobicContact CB-CE2 4.07Å; I36-Y352 HydrophobicContact CD1-CE2 4.48Å; I36-Y352 HydrophobicContact CG2-CE2 3.89Å; I36-Y352 WeakPolarHBondContact CG2-OH 3.24Å; I36-Q369 HydrophobicContact CG2-CB 3.56Å; I36-A370 HydrophobicContact CD1-CB 4.21Å; I36-H373 HydrophobicContact CD1-CB 4.05Å; I36-H373 HydrophobicContact CG1-CB 3.53Å; I36-H373 VanDerWaalsContact CG1-CG 3.48Å
37Q85.3Confident88.8Confident37 Ų3721 Ų2117%0.17310%0.096CC..Hα-helixtrans-71.3-35.2-176.9-69.2-174.3-8.700112.2L33 W34 V178 K202 Y352L33-Q37 WeakPolarHBondContact O-CG 3.49Å; W34-Q37 PolarHBondContact O-N 2.84Å; Q37-V178 HydrophobicContact CB-CG1 3.82Å; Q37-K202 PolarHBondContact O-NZ 3.02Å; Q37-Y352 HydrophobicContact CG-CD2 4.12Å; Q37-Y352 HydrophobicContact CG-CE2 3.74Å
38Y90.9Very high88.5Confident5 Ų524.2 Ų24.22%0.0211%0.108CC..SBendtrans-60.6142.2-178.3-166.9-106000112.4W34 W40 E70 D71 F74 V178 K202W34-Y38 WeakPolarHBondContact O-CB 3.02Å; W34-Y38 PolarHBondContact O-N 3.48Å; Y38-W40 HydrophobicContact CD1-CB 4.48Å; Y38-W40 AromaticContact CD1-CD2 3.48Å; Y38-W40 HydrophobicContact CD1-CD2 3.48Å; Y38-W40 VanDerWaalsContact CD1-CD2 3.48Å; Y38-W40 AromaticContact CD1-CE2 3.59Å; Y38-W40 AromaticContact CD1-CE3 3.83Å; Y38-W40 HydrophobicContact CD1-CE3 3.83Å; Y38-W40 AromaticContact CD1-CG 3.79Å; Y38-W40 HydrophobicContact CD1-CG 3.79Å; Y38-W40 HydrophobicContact CD1-CH2 4.34Å; Y38-W40 HydrophobicContact CD1-CZ2 4.05Å; Y38-W40 HydrophobicContact CD1-CZ3 4.24Å; Y38-W40 AromaticContact CD1-NE1 3.9Å; Y38-W40 AromaticContact CE1-CD2 3.86Å; Y38-W40 HydrophobicContact CE1-CD2 3.86Å; Y38-W40 AromaticContact CE1-CE3 3.74Å; Y38-W40 HydrophobicContact CE1-CE3 3.74Å; Y38-W40 HydrophobicContact CE1-CG 4.32Å; Y38-W40 HydrophobicContact CE1-CZ3 4.09Å; Y38-E70 PolarHBondContact OH-O 3.07Å; Y38-D71 VanDerWaalsContact CE1-OD1 3.3Å; Y38-D71 WeakPolarHBondContact CE1-OD1 3.28Å; Y38-D71 PolarHBondContact OH-N 3.1Å; Y38-D71 PolarHBondContact OH-OD1 2.85Å; Y38-F74 AromaticContact CD1-CD1 3.65Å; Y38-F74 HydrophobicContact CD1-CD1 3.65Å; Y38-F74 AromaticContact CD1-CE1 3.78Å; Y38-F74 HydrophobicContact CD1-CE1 3.78Å; Y38-F74 AromaticContact CD2-CD1 3.68Å; Y38-F74 HydrophobicContact CD2-CD1 3.68Å; Y38-F74 AromaticContact CD2-CE1 3.72Å; Y38-F74 HydrophobicContact CD2-CE1 3.72Å; Y38-F74 HydrophobicContact CD2-CG 4.21Å; Y38-F74 HydrophobicContact CD2-CZ 4.26Å; Y38-F74 AromaticContact CE1-CD1 3.8Å; Y38-F74 HydrophobicContact CE1-CD1 3.8Å; Y38-F74 HydrophobicContact CE1-CE1 4.39Å; Y38-F74 HydrophobicContact CE2-CB 4.37Å; Y38-F74 AromaticContact CE2-CD1 3.84Å; Y38-F74 HydrophobicContact CE2-CD1 3.84Å; Y38-F74 HydrophobicContact CE2-CE1 4.35Å; Y38-F74 HydrophobicContact CE2-CG 4.09Å; Y38-F74 AromaticContact CG-CD1 3.59Å; Y38-F74 HydrophobicContact CG-CD1 3.59Å; Y38-F74 AromaticContact CG-CE1 3.39Å; Y38-F74 HydrophobicContact CG-CE1 3.39Å; Y38-F74 HydrophobicContact CG-CZ 4.21Å; Y38-F74 AromaticContact CZ-CD1 3.9Å; Y38-V178 HydrophobicContact CD2-CB 4.45Å; Y38-V178 HydrophobicContact CD2-CG1 4.3Å; Y38-V178 HydrophobicContact CD2-CG2 4.33Å; Y38-K202 PolarHBondContact O-NZ 2.91Å
39Q89Confident88.6Confident9 Ų925.1 Ų25.14%0.04211%0.113CC..  trans-101.685176.9-163.564.621.100110R267 F268 N269Q39-R267 PolarHBondContact NE2-O 3.46Å; Q39-F268 VanDerWaalsContact CG-C 3.45Å; Q39-N269 HydrophobicContact CG-CB 4.1Å; Q39-N269 WeakPolarHBondContact O-CB 3.16Å; Q39-N269 PolarHBondContact O-ND2 2.91Å
40W90.1Very high88.8Confident11 Ų1125.6 Ų25.64%0.04212%0.115CC..  trans-55.5139.2177.8-63.698.4000111.8C35 Y38 P44 F45 D71 F74 I75 M78 N206C35-W40 PolarHBondContact O-NE1 2.8Å; Y38-W40 HydrophobicContact CD1-CB 4.48Å; Y38-W40 AromaticContact CD1-CD2 3.48Å; Y38-W40 HydrophobicContact CD1-CD2 3.48Å; Y38-W40 VanDerWaalsContact CD1-CD2 3.48Å; Y38-W40 AromaticContact CD1-CE2 3.59Å; Y38-W40 AromaticContact CD1-CE3 3.83Å; Y38-W40 HydrophobicContact CD1-CE3 3.83Å; Y38-W40 AromaticContact CD1-CG 3.79Å; Y38-W40 HydrophobicContact CD1-CG 3.79Å; Y38-W40 HydrophobicContact CD1-CH2 4.34Å; Y38-W40 HydrophobicContact CD1-CZ2 4.05Å; Y38-W40 HydrophobicContact CD1-CZ3 4.24Å; Y38-W40 AromaticContact CD1-NE1 3.9Å; Y38-W40 AromaticContact CE1-CD2 3.86Å; Y38-W40 HydrophobicContact CE1-CD2 3.86Å; Y38-W40 AromaticContact CE1-CE3 3.74Å; Y38-W40 HydrophobicContact CE1-CE3 3.74Å; Y38-W40 HydrophobicContact CE1-CG 4.32Å; Y38-W40 HydrophobicContact CE1-CZ3 4.09Å; W40-P44 HydrophobicContact CD2-CB 4.21Å; W40-P44 HydrophobicContact CG-CB 3.99Å; W40-F45 HydrophobicContact CH2-CB 3.79Å; W40-F45 HydrophobicContact CZ2-CB 3.73Å; W40-D71 HydrophobicContact CE3-CB 4.2Å; W40-D71 HydrophobicContact CZ3-CB 4.15Å; W40-F74 AromaticContact CH2-CD1 3.65Å; W40-F74 HydrophobicContact CH2-CD1 3.65Å; W40-F74 AromaticContact CH2-CE1 3.94Å; W40-F74 HydrophobicContact CH2-CE1 3.94Å; W40-F74 AromaticContact CZ2-CD1 3.95Å; W40-F74 HydrophobicContact CZ2-CD1 3.95Å; W40-F74 AromaticContact CZ2-CE1 3.76Å; W40-F74 HydrophobicContact CZ2-CE1 3.76Å; W40-F74 HydrophobicContact CZ3-CD1 4.25Å; W40-I75 HydrophobicContact CH2-CD1 4.25Å; W40-I75 HydrophobicContact CH2-CG1 3.72Å; W40-I75 HydrophobicContact CZ3-CD1 3.88Å; W40-I75 HydrophobicContact CZ3-CG1 3.79Å; W40-M78 HydrophobicContact CH2-CE 3.56Å; W40-M78 HydrophobicContact CZ2-CE 3.87Å; W40-N206 PolarHBondContact O-ND2 2.93Å
41Y89.4Confident88.8Confident9 Ų926 Ų264%0.03512%0.124CC..SBendtrans-67.9-51.1173.3179.5-97.1000110.6C65 S68 D71 N206 L271 R272Y41-C65 WeakPolarHBondContact CD1-O 3.49Å; Y41-S68 VanDerWaalsContact CB-CB 3.48Å; Y41-D71 VanDerWaalsContact CB-OD2 3.28Å; Y41-D71 WeakPolarHBondContact CB-OD2 3.46Å; Y41-D71 PolarHBondContact N-OD2 3.34Å; Y41-N206 PolarHBondContact O-ND2 2.95Å; Y41-N206 VanDerWaalsContact O-ND2 3.11Å; Y41-L271 HydrophobicContact CD2-CB 3.89Å; Y41-L271 HydrophobicContact CD2-CD1 4.48Å; Y41-L271 HydrophobicContact CE2-CB 3.82Å; Y41-R272 HydrophobicContact CD2-CG 3.78Å; Y41-R272 HydrophobicContact CE2-CG 4.01Å; Y41-R272 PolarHBondContact O-NE 2.94Å; Y41-R272 PolarHBondContact O-NH2 2.88Å
42R85.2Confident88.5Confident61 Ų6128.9 Ų28.923%0.2314%0.139CC..SBendtrans-129.2-89.7179.1-93.8-168.5173.4162.510.4112.1D64 D210R42-D64 VanDerWaalsContact CB-O 3.29Å; R42-D64 WeakPolarHBondContact CB-O 3.28Å; R42-D64 VanDerWaalsContact CD-OD2 3.26Å; R42-D64 WeakPolarHBondContact CD-OD2 3.4Å; R42-D64 IonicContact CZ-OD2 2.72Å; R42-D64 IonicContact NE-OD2 3.58Å; R42-D64 IonicContact NH1-OD2 3.57Å; R42-D64 PolarHBondContact NH1-OD2 3.1Å; R42-D210 IonicContact CZ-OD1 2.72Å; R42-D210 IonicContact CZ-OD2 2.59Å; R42-D210 IonicContact NE-OD1 3.76Å; R42-D210 PolarHBondContact NE-OD1 2.98Å; R42-D210 IonicContact NE-OD2 2.85Å; R42-D210 PolarHBondContact NE-OD2 2.73Å; R42-D210 VanDerWaalsContact NE-OD2 3.11Å; R42-D210 IonicContact NH2-OD1 2.8Å; R42-D210 PolarHBondContact NH2-OD1 3.31Å; R42-D210 IonicContact NH2-OD2 2.81Å
43D85.4Confident88.3Confident30 Ų3031.8 Ų31.816%0.1616%0.16CC..PPolyproline II helixtrans-88.3133.8-175.7-87.2-46.5000109.5K46 V63 D64D43-K46 IonicContact OD1-NZ 2.86Å; D43-K46 PolarHBondContact OD1-NZ 3.04Å; D43-V63 HydrophobicContact CB-CG1 3.75Å; D43-V63 WeakPolarHBondContact O-CG1 3.23Å; D43-D64 PolarHBondContact N-O 2.99Å
44P87.7Confident87.9Confident13 Ų1336.4 Ų36.48%0.08419%0.189CC..PPolyproline II helixtrans-71.2160.7166.928.5-35000112W40 K46 F377W40-P44 HydrophobicContact CD2-CB 4.21Å; W40-P44 HydrophobicContact CG-CB 3.99Å; P44-K46 WeakPolarHBondContact O-CG 3.27Å; P44-K46 PolarHBondContact O-N 2.98Å; P44-F377 HydrophobicContact CB-CZ 3.83Å; P44-F377 HydrophobicContact CG-CE1 4.44Å; P44-F377 HydrophobicContact CG-CE2 4.45Å; P44-F377 HydrophobicContact CG-CZ 3.58Å
45F91.2Very high87.5Confident10 Ų1040.2 Ų40.24%0.04421%0.213CC..PPolyproline II helixtrans-54.2128.9172.6179.2-95.7000112.1Y7 L31 W40 L47 I75 M78 L79 I82 F377Y7-F45 HydrophobicContact CD2-CE2 4.19Å; Y7-F45 HydrophobicContact CE1-CD2 4.36Å; Y7-F45 HydrophobicContact CE1-CE2 4.28Å; Y7-F45 HydrophobicContact CE2-CD2 4.03Å; Y7-F45 AromaticContact CE2-CE2 3.34Å; Y7-F45 HydrophobicContact CE2-CE2 3.34Å; Y7-F45 AromaticContact CE2-CZ 3.79Å; Y7-F45 HydrophobicContact CE2-CZ 3.79Å; Y7-F45 AromaticContact CZ-CD2 3.6Å; Y7-F45 AromaticContact CZ-CE2 3.41Å; Y7-F45 VanDerWaalsContact CZ-CE2 3.41Å; Y7-F45 WeakPolarHBondContact OH-CD2 3.29Å; Y7-F45 WeakPolarHBondContact OH-CE2 3.5Å; L31-F45 HydrophobicContact CD1-CD1 4.2Å; L31-F45 HydrophobicContact CD1-CE1 3.7Å; L31-F45 HydrophobicContact CD1-CZ 4.08Å; W40-F45 HydrophobicContact CH2-CB 3.79Å; W40-F45 HydrophobicContact CZ2-CB 3.73Å; F45-L47 HydrophobicContact CE1-CD1 3.63Å; F45-L47 HydrophobicContact CE1-CD2 4.37Å; F45-L47 HydrophobicContact CE1-CG 3.62Å; F45-L47 HydrophobicContact CZ-CD1 3.87Å; F45-L47 HydrophobicContact CZ-CD2 3.98Å; F45-L47 HydrophobicContact CZ-CG 3.74Å; F45-I75 HydrophobicContact CD2-CG1 4.21Å; F45-I75 HydrophobicContact CD2-CG2 3.94Å; F45-I75 HydrophobicContact CE2-CG2 4.08Å; F45-M78 HydrophobicContact CB-CE 3.78Å; F45-M78 HydrophobicContact CD2-CE 3.87Å; F45-M78 HydrophobicContact CG-CE 3.87Å; F45-L79 HydrophobicContact CE2-CD2 3.83Å; F45-L79 HydrophobicContact CE2-CG 4.26Å; F45-L79 HydrophobicContact CZ-CD2 3.99Å; F45-I82 HydrophobicContact CZ-CD1 4.17Å; F45-F377 WeakPolarHBondContact O-CE1 3.23Å
46K87.9Confident87.5Confident32 Ų3240.5 Ų40.514%0.13922%0.215CC..  trans-134.2135.5-172.7-75.7162.1-172.5177.10110.3Y7 D43 P44 W48 G61 F377Y7-K46 WeakPolarHBondContact CE2-O 3.37Å; Y7-K46 PolarHBondContact OH-N 3.14Å; Y7-K46 VanDerWaalsContact OH-N 3.1Å; Y7-K46 PolarHBondContact OH-O 3.15Å; D43-K46 IonicContact OD1-NZ 2.86Å; D43-K46 PolarHBondContact OD1-NZ 3.04Å; P44-K46 WeakPolarHBondContact O-CG 3.27Å; P44-K46 PolarHBondContact O-N 2.98Å; K46-W48 HydrophobicContact CB-CH2 3.71Å; K46-W48 HydrophobicContact CB-CZ2 3.63Å; K46-W48 HydrophobicContact CB-CZ3 4.29Å; K46-W48 HydrophobicContact CD-CH2 4Å; K46-W48 HydrophobicContact CD-CZ2 3.71Å; K46-W48 HydrophobicContact CG-CH2 4.41Å; K46-W48 HydrophobicContact CG-CZ2 4.08Å; K46-G61 VanDerWaalsContact O-CA 3.24Å; K46-G61 WeakPolarHBondContact O-CA 3.49Å; K46-F377 HydrophobicContact CG-CD1 4.49Å; K46-F377 HydrophobicContact CG-CE1 3.64Å
47L91.1Very high87.9Confident1 Ų141.4 Ų41.41%0.00522%0.218CC..  trans-123.3128.9172.4-72.7171.6000110.2Y7 L9 R24 Y27 I28 F45 L59 I82Y7-L47 HydrophobicContact CD2-CD2 4.16Å; Y7-L47 HydrophobicContact CE2-CD2 3.7Å; L9-L47 HydrophobicContact CD1-CD2 3.73Å; L9-L47 HydrophobicContact CD2-CD2 4.22Å; R24-L47 HydrophobicContact CG-CB 4.24Å; R24-L47 PolarHBondContact NE-O 3.29Å; R24-L47 PolarHBondContact NH2-O 3.36Å; Y27-L47 HydrophobicContact CD2-CD1 4.41Å; I28-L47 HydrophobicContact CD1-CB 4.37Å; I28-L47 HydrophobicContact CG1-CD1 4.26Å; F45-L47 HydrophobicContact CE1-CD1 3.63Å; F45-L47 HydrophobicContact CE1-CD2 4.37Å; F45-L47 HydrophobicContact CE1-CG 3.62Å; F45-L47 HydrophobicContact CZ-CD1 3.87Å; F45-L47 HydrophobicContact CZ-CD2 3.98Å; F45-L47 HydrophobicContact CZ-CG 3.74Å; L47-L59 HydrophobicContact CD1-CD1 4.5Å; L47-L59 HydrophobicContact CD2-CB 4.2Å; L47-I82 HydrophobicContact CD1-CD1 4.45Å
48W88Confident88.3Confident69 Ų6940.6 Ų40.626%0.26121%0.214SC..EExtended strand (participates in β ladder)trans-119.9155.2174.8-57-72.5000110.8K46 L59 F60 C62K46-W48 HydrophobicContact CB-CH2 3.71Å; K46-W48 HydrophobicContact CB-CZ2 3.63Å; K46-W48 HydrophobicContact CB-CZ3 4.29Å; K46-W48 HydrophobicContact CD-CH2 4Å; K46-W48 HydrophobicContact CD-CZ2 3.71Å; K46-W48 HydrophobicContact CG-CH2 4.41Å; K46-W48 HydrophobicContact CG-CZ2 4.08Å; W48-L59 CarbonylContact O-C 3.59Å; W48-L59 VanDerWaalsContact O-CA 3.22Å; W48-L59 WeakPolarHBondContact O-CA 3.34Å; W48-F60 HydrophobicContact CE3-CD1 4.01Å; W48-F60 HydrophobicContact CE3-CE1 4.47Å; W48-F60 HydrophobicContact CZ3-CD1 4.41Å; W48-F60 HydrophobicContact CZ3-CE1 4.45Å; W48-F60 PolarHBondContact N-O 3.02Å; W48-F60 PolarHBondContact O-N 2.81Å; W48-C62 HydrophobicContact CZ3-CB 4.14Å
49I91.1Very high88.5Confident26 Ų2640.3 Ų40.313%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-93.9125.6176.1-52.5172.6000108.5A20 F57 L59A20-I49 HydrophobicContact CB-CG2 4.08Å; I49-F57 HydrophobicContact CG2-CB 4.02Å; I49-F57 HydrophobicContact CG2-CD1 3.87Å; I49-F57 HydrophobicContact CG2-CG 4.26Å; I49-L59 HydrophobicContact CG1-CD2 3.91Å
50Q90.2Very high88.7Confident70 Ų7042.2 Ų42.233%0.32722%0.221SC..EExtended strand (participates in β ladder)trans-127.3148.8176.5-167.8164.624.800110.6F57 F58Q50-F57 CarbonylContact O-C 3.58Å; Q50-F57 VanDerWaalsContact O-CA 3.25Å; Q50-F57 WeakPolarHBondContact O-CA 3.3Å; Q50-F58 HydrophobicContact CB-CD1 4.17Å; Q50-F58 HydrophobicContact CB-CE1 3.63Å; Q50-F58 HydrophobicContact CB-CE2 4.3Å; Q50-F58 HydrophobicContact CB-CZ 3.7Å; Q50-F58 HydrophobicContact CG-CE1 3.72Å; Q50-F58 HydrophobicContact CG-CZ 3.81Å; Q50-F58 PolarHBondContact N-O 3.35Å; Q50-F58 VanDerWaalsContact O-CD1 3.29Å; Q50-F58 WeakPolarHBondContact O-CD1 3.42Å; Q50-F58 PolarHBondContact O-N 3.23Å
51S89.5Confident88.8Confident60 Ų6041.7 Ų41.742%0.4222%0.219SC..EExtended strand (participates in β ladder)trans-83.4129.7175.51660000109.3S53S51-S53 PolarHBondContact OG-O 3.07Å
52I86.3Confident88.9Confident61 Ų6143.4 Ų43.431%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-91.6-33.7169.1-171.7165.3000110.7S56 F58 L142 L146I52-S56 VanDerWaalsContact CG2-O 3.29Å; I52-S56 WeakPolarHBondContact CG2-O 3.4Å; I52-S56 WeakPolarHBondContact CG2-OG 3.44Å; I52-S56 PolarHBondContact N-O 3.33Å; I52-F58 HydrophobicContact CB-CD1 3.69Å; I52-F58 HydrophobicContact CB-CE1 4.11Å; I52-F58 HydrophobicContact CG2-CD1 4.49Å; I52-L142 HydrophobicContact CD1-CD2 3.85Å; I52-L146 HydrophobicContact CD1-CD1 4.29Å
53S83.3Confident89.2Confident65 Ų6540.5 Ų40.546%0.45522%0.221SC..EExtended strand (participates in β ladder)trans-149.4175.9174.169.90000109.6S51 D55 S56S51-S53 PolarHBondContact OG-O 3.07Å; S53-D55 PolarHBondContact O-N 2.79Å; S53-S56 PolarHBondContact N-O 2.75Å; S53-S56 PolarHBondContact O-N 3.17Å; S53-S56 VanDerWaalsContact O-O 3.07Å; S53-S56 VanDerWaalsContact OG-CB 3.27Å; S53-S56 WeakPolarHBondContact OG-CB 3.49Å
54V80.7Confident89.4Confident130 Ų13039.7 Ų39.779%0.78822%0.217SC*.THydrogen-bonded Turntrans-47-44.2-173.4-177.30000112.8
55D81.9Confident89.4Confident128 Ų12839.1 Ų39.168%0.68421%0.213SC*.THydrogen-bonded Turntrans-118.914.4-175.5-59.1-46.3000113.9S53S53-D55 PolarHBondContact O-N 2.79Å
56S88.7Confident89.2Confident17 Ų1739.3 Ų39.312%0.11922%0.218CC..EExtended strand (participates in β ladder)trans-127.8133.9179.2-1670000110.9I52 S53I52-S56 VanDerWaalsContact CG2-O 3.29Å; I52-S56 WeakPolarHBondContact CG2-O 3.4Å; I52-S56 WeakPolarHBondContact CG2-OG 3.44Å; I52-S56 PolarHBondContact N-O 3.33Å; S53-S56 PolarHBondContact N-O 2.75Å; S53-S56 PolarHBondContact O-N 3.17Å; S53-S56 VanDerWaalsContact O-O 3.07Å; S53-S56 VanDerWaalsContact OG-CB 3.27Å; S53-S56 WeakPolarHBondContact OG-CB 3.49Å
57F92.8Very high89.1Confident25 Ų2544.4 Ų44.411%0.1124%0.242CC..EExtended strand (participates in β ladder)trans-120.6153-178.8-64.9-93.5000110.9F11 T15 R17 A20 I49 Q50F11-F57 WeakPolarHBondContact CD2-O 3.37Å; T15-F57 PolarHBondContact O-N 2.8Å; R17-F57 HydrophobicContact CB-CD1 4.43Å; R17-F57 HydrophobicContact CB-CD2 3.95Å; R17-F57 HydrophobicContact CB-CE1 4.31Å; R17-F57 HydrophobicContact CB-CE2 3.82Å; R17-F57 HydrophobicContact CB-CG 4.27Å; R17-F57 HydrophobicContact CB-CZ 4.01Å; R17-F57 VanDerWaalsContact N-CD2 3.34Å; A20-F57 HydrophobicContact CB-CB 3.88Å; I49-F57 HydrophobicContact CG2-CB 4.02Å; I49-F57 HydrophobicContact CG2-CD1 3.87Å; I49-F57 HydrophobicContact CG2-CG 4.26Å; Q50-F57 CarbonylContact O-C 3.58Å; Q50-F57 VanDerWaalsContact O-CA 3.25Å; Q50-F57 WeakPolarHBondContact O-CA 3.3Å
58F93.6Very high89.1Confident20 Ų2044.4 Ų44.49%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-135.9168.1174.874-79.2000109K8 L9 I10 Q50 I52 F60K8-F58 HydrophobicContact CB-CD2 4.42Å; K8-F58 HydrophobicContact CB-CE2 4.36Å; K8-F58 HydrophobicContact CG-CE2 4.1Å; L9-F58 WeakPolarHBondContact O-CB 3.3Å; I10-F58 HydrophobicContact CG1-CB 4.2Å; I10-F58 HydrophobicContact CG1-CD2 4.44Å; Q50-F58 HydrophobicContact CB-CD1 4.17Å; Q50-F58 HydrophobicContact CB-CE1 3.63Å; Q50-F58 HydrophobicContact CB-CE2 4.3Å; Q50-F58 HydrophobicContact CB-CZ 3.7Å; Q50-F58 HydrophobicContact CG-CE1 3.72Å; Q50-F58 HydrophobicContact CG-CZ 3.81Å; Q50-F58 PolarHBondContact N-O 3.35Å; Q50-F58 VanDerWaalsContact O-CD1 3.29Å; Q50-F58 WeakPolarHBondContact O-CD1 3.42Å; Q50-F58 PolarHBondContact O-N 3.23Å; I52-F58 HydrophobicContact CB-CD1 3.69Å; I52-F58 HydrophobicContact CB-CE1 4.11Å; I52-F58 HydrophobicContact CG2-CD1 4.49Å; F58-F60 HydrophobicContact CE2-CB 3.9Å
59L95Very high89.3Confident0 Ų044.6 Ų44.60%025%0.251CS..EExtended strand (participates in β ladder)trans-102.2141.1174.2-44.3176.3000110.7K8 L9 F11 A20 R24 Y27 L47 W48 I49K8-L59 CarbonylContact C-O 3.54Å; K8-L59 WeakPolarHBondContact CA-O 3.2Å; L9-L59 HydrophobicContact CB-CB 4.09Å; L9-L59 HydrophobicContact CD2-CD1 4.41Å; L9-L59 PolarHBondContact N-O 3Å; L9-L59 PolarHBondContact O-N 3.1Å; F11-L59 HydrophobicContact CE2-CG 4.26Å; F11-L59 HydrophobicContact CZ-CD1 3.98Å; F11-L59 HydrophobicContact CZ-CD2 4.39Å; F11-L59 HydrophobicContact CZ-CG 3.8Å; A20-L59 HydrophobicContact CB-CD2 4.48Å; R24-L59 HydrophobicContact CB-CD1 3.93Å; R24-L59 HydrophobicContact CB-CD2 3.85Å; R24-L59 HydrophobicContact CG-CD2 4.45Å; Y27-L59 HydrophobicContact CD2-CD1 3.66Å; Y27-L59 HydrophobicContact CE2-CD1 3.69Å; L47-L59 HydrophobicContact CD1-CD1 4.5Å; L47-L59 HydrophobicContact CD2-CB 4.2Å; W48-L59 CarbonylContact O-C 3.59Å; W48-L59 VanDerWaalsContact O-CA 3.22Å; W48-L59 WeakPolarHBondContact O-CA 3.34Å; I49-L59 HydrophobicContact CG1-CD2 3.91Å
60F94Very high89.3Confident48 Ų4846.2 Ų46.221%0.21126%0.258CS..EExtended strand (participates in β ladder)trans-129.8145.2179.3175.4-109.1000110Y7 K8 W48 F58 C62Y7-F60 CarbonylContact O-C 3.27Å; Y7-F60 WeakPolarHBondContact O-CA 3.43Å; Y7-F60 VanDerWaalsContact O-CD2 3.25Å; Y7-F60 WeakPolarHBondContact O-CD2 3.42Å; K8-F60 HydrophobicContact CG-CD2 3.86Å; K8-F60 HydrophobicContact CG-CE2 4.39Å; W48-F60 HydrophobicContact CE3-CD1 4.01Å; W48-F60 HydrophobicContact CE3-CE1 4.47Å; W48-F60 HydrophobicContact CZ3-CD1 4.41Å; W48-F60 HydrophobicContact CZ3-CE1 4.45Å; W48-F60 PolarHBondContact N-O 3.02Å; W48-F60 PolarHBondContact O-N 2.81Å; F58-F60 HydrophobicContact CE2-CB 3.9Å; F60-C62 HydrophobicContact CE1-CB 3.84Å; F60-C62 HydrophobicContact CZ-CB 3.76Å
61G92.4Very high89.4Confident0 Ų042.9 Ų42.90%024%0.242CC..EExtended strand (participates in β ladder)trans-141.6154.1168.100000111.3S6 Y7 K46S6-G61 CarbonylContact C-O 3.58Å; S6-G61 WeakPolarHBondContact CA-O 3.3Å; Y7-G61 VanDerWaalsContact CE2-CA 3.42Å; Y7-G61 PolarHBondContact N-O 2.89Å; Y7-G61 PolarHBondContact O-N 2.93Å; K46-G61 VanDerWaalsContact O-CA 3.24Å; K46-G61 WeakPolarHBondContact O-CA 3.49Å
62C91.2Very high89.7Confident45 Ų4540.6 Ų40.630%0.30423%0.225SC..EExtended strand (participates in β ladder)trans-150.5121.5-179.3179.80000106.1L5 W48 F60L5-C62 VanDerWaalsContact O-CA 3.31Å; L5-C62 WeakPolarHBondContact O-CA 3.24Å; W48-C62 HydrophobicContact CZ3-CB 4.14Å; F60-C62 HydrophobicContact CE1-CB 3.84Å; F60-C62 HydrophobicContact CZ-CB 3.76Å
63V90.6Very high90.1Very high0 Ų038 Ų380%021%0.211CC..EExtended strand (participates in β ladder)trans-131125.6-172.1177.60000108.9S4 L5 Y7 D43 C65 I75S4-V63 CarbonylContact C-O 3.59Å; S4-V63 VanDerWaalsContact CA-O 3.31Å; S4-V63 WeakPolarHBondContact CA-O 3.49Å; L5-V63 PolarHBondContact N-O 2.9Å; L5-V63 PolarHBondContact O-N 2.86Å; Y7-V63 HydrophobicContact CE1-CG2 3.9Å; Y7-V63 VanDerWaalsContact OH-CG2 3.29Å; Y7-V63 WeakPolarHBondContact OH-CG2 3.24Å; D43-V63 HydrophobicContact CB-CG1 3.75Å; D43-V63 WeakPolarHBondContact O-CG1 3.23Å; V63-C65 PolarHBondContact O-N 3.19Å; V63-I75 HydrophobicContact CB-CD1 3.96Å; V63-I75 HydrophobicContact CG1-CD1 3.87Å; V63-I75 HydrophobicContact CG2-CD1 4.12Å
64D89.3Confident90.6Very high14 Ų1434.9 Ų34.98%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-75.1105.4167.3-176.82.7000108.8R42 D43 G66R42-D64 VanDerWaalsContact CB-O 3.29Å; R42-D64 WeakPolarHBondContact CB-O 3.28Å; R42-D64 VanDerWaalsContact CD-OD2 3.26Å; R42-D64 WeakPolarHBondContact CD-OD2 3.4Å; R42-D64 IonicContact CZ-OD2 2.72Å; R42-D64 IonicContact NE-OD2 3.58Å; R42-D64 IonicContact NH1-OD2 3.57Å; R42-D64 PolarHBondContact NH1-OD2 3.1Å; D43-D64 PolarHBondContact N-O 2.99Å; D64-G66 VanDerWaalsContact C-N 3.31Å; D64-G66 WeakPolarHBondContact OD1-CA 3.44Å; D64-G66 PolarHBondContact OD1-N 2.97Å
65C89.2Confident91.4Very high0 Ų028.7 Ų28.70%015%0.152CC..  trans-82.9-13.6177.7-61.60000111.6N3 Y41 V63 E67 S68 D71 E72N3-C65 PolarHBondContact O-N 3.03Å; Y41-C65 WeakPolarHBondContact CD1-O 3.49Å; V63-C65 PolarHBondContact O-N 3.19Å; C65-E67 PolarHBondContact O-N 3.24Å; C65-S68 WeakPolarHBondContact O-CB 3.34Å; C65-S68 PolarHBondContact O-N 3.3Å; C65-D71 HydrophobicContact CB-CB 4.2Å; C65-E72 HydrophobicContact CB-CG 3.91Å
66G86.5Confident92.1Very high14 Ų1422.6 Ų22.614%0.14412%0.12CC..THydrogen-bonded Turntrans54.7-119.3-175.100000112.1N3 D64N3-G66 WeakPolarHBondContact CB-O 3.4Å; N3-G66 PolarHBondContact ND2-O 3.14Å; D64-G66 VanDerWaalsContact C-N 3.31Å; D64-G66 WeakPolarHBondContact OD1-CA 3.44Å; D64-G66 PolarHBondContact OD1-N 2.97Å
67E86.3Confident92.5Very high139 Ų13922.7 Ų22.765%0.6512%0.117SC*.THydrogen-bonded Turntrans-96.40.1-179.5-61.9178.7-177.900112.7C65 V69 L271C65-E67 PolarHBondContact O-N 3.24Å; E67-V69 PolarHBondContact O-N 2.76Å; E67-L271 HydrophobicContact CB-CD1 4.37Å; E67-L271 WeakPolarHBondContact O-CD1 3.38Å
68S91.1Very high92.7Very high1 Ų121.5 Ų21.51%0.00711%0.112CC..  trans-89.489.7-173.8-167.80000111.5Y41 C65 E70 D71 E72Y41-S68 VanDerWaalsContact CB-CB 3.48Å; C65-S68 WeakPolarHBondContact O-CB 3.34Å; C65-S68 PolarHBondContact O-N 3.3Å; S68-E70 PolarHBondContact O-N 3.44Å; S68-E70 VanDerWaalsContact O-N 3.16Å; S68-D71 VanDerWaalsContact CB-CG 3.49Å; S68-D71 WeakPolarHBondContact CB-OD1 3.43Å; S68-D71 WeakPolarHBondContact O-CB 3.43Å; S68-D71 PolarHBondContact O-N 3.31Å; S68-D71 VanDerWaalsContact OG-CG 3.23Å; S68-D71 PolarHBondContact OG-N 3.04Å; S68-D71 PolarHBondContact OG-OD1 2.87Å; S68-E72 PolarHBondContact O-N 2.84Å
69V90.7Very high92.8Very high74 Ų7420.6 Ų20.645%0.44811%0.108SC..Hα-helixtrans-56.9-27.1166.91790000110.9E67 D71 E72 W73E67-V69 PolarHBondContact O-N 2.76Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.43Å; V69-E72 PolarHBondContact O-N 3.34Å; V69-W73 VanDerWaalsContact O-CD1 3.28Å; V69-W73 PolarHBondContact O-N 3.23Å
70E91.7Very high92.9Very high59 Ų5921.2 Ų21.228%0.27611%0.112SC..Hα-helixtrans-63-36.6173.6-64.5-61.1145.600112.7Y38 S68 F74 K173 Y174 F177Y38-E70 PolarHBondContact OH-O 3.07Å; S68-E70 PolarHBondContact O-N 3.44Å; S68-E70 VanDerWaalsContact O-N 3.16Å; E70-F74 WeakPolarHBondContact O-CB 3.42Å; E70-F74 PolarHBondContact O-N 3.47Å; E70-K173 IonicContact OE1-NZ 3.99Å; E70-K173 PolarHBondContact OE1-NZ 3.26Å; E70-K173 WeakPolarHBondContact OE2-CE 3.49Å; E70-K173 IonicContact OE2-NZ 2.68Å; E70-K173 PolarHBondContact OE2-NZ 3.22Å; E70-Y174 PolarHBondContact O-OH 2.75Å; E70-Y174 PolarHBondContact OE2-OH 2.8Å; E70-Y174 VanDerWaalsContact OE2-OH 3.12Å; E70-F177 HydrophobicContact CB-CE1 4.21Å; E70-F177 HydrophobicContact CG-CE1 4.03Å; E70-F177 HydrophobicContact CG-CZ 4.15Å; E70-F177 VanDerWaalsContact OE2-CE1 3.22Å; E70-F177 WeakPolarHBondContact OE2-CE1 3.43Å
71D93.5Very high93Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-68.9-40.6179.2-68.519.9000110.1Y38 W40 Y41 C65 S68 V69 F74 I75Y38-D71 VanDerWaalsContact CE1-OD1 3.3Å; Y38-D71 WeakPolarHBondContact CE1-OD1 3.28Å; Y38-D71 PolarHBondContact OH-N 3.1Å; Y38-D71 PolarHBondContact OH-OD1 2.85Å; W40-D71 HydrophobicContact CE3-CB 4.2Å; W40-D71 HydrophobicContact CZ3-CB 4.15Å; Y41-D71 VanDerWaalsContact CB-OD2 3.28Å; Y41-D71 WeakPolarHBondContact CB-OD2 3.46Å; Y41-D71 PolarHBondContact N-OD2 3.34Å; C65-D71 HydrophobicContact CB-CB 4.2Å; S68-D71 VanDerWaalsContact CB-CG 3.49Å; S68-D71 WeakPolarHBondContact CB-OD1 3.43Å; S68-D71 WeakPolarHBondContact O-CB 3.43Å; S68-D71 PolarHBondContact O-N 3.31Å; S68-D71 VanDerWaalsContact OG-CG 3.23Å; S68-D71 PolarHBondContact OG-N 3.04Å; S68-D71 PolarHBondContact OG-OD1 2.87Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.43Å; D71-F74 PolarHBondContact O-N 3.4Å; D71-I75 WeakPolarHBondContact O-CD1 3.27Å; D71-I75 VanDerWaalsContact O-CG1 3.23Å; D71-I75 WeakPolarHBondContact O-CG1 3.44Å; D71-I75 PolarHBondContact O-N 3.44Å
72E93.8Very high93.2Very high13 Ų1320.7 Ų20.76%0.06111%0.111CC..Hα-helixtrans-58.4-53.9176.6-65164.4-157.300111.8N3 C65 S68 V69 F74 I75 V76N3-E72 PolarHBondContact ND2-OE1 3.46Å; N3-E72 PolarHBondContact OD1-OE1 3.43Å; C65-E72 HydrophobicContact CB-CG 3.91Å; S68-E72 PolarHBondContact O-N 2.84Å; V69-E72 PolarHBondContact O-N 3.34Å; E72-F74 VanDerWaalsContact C-N 3.31Å; E72-F74 PolarHBondContact O-N 3.08Å; E72-I75 PolarHBondContact O-N 2.85Å; E72-V76 WeakPolarHBondContact O-CG2 3.26Å; E72-V76 PolarHBondContact O-N 2.99Å
73W94.9Very high93.5Very high6 Ų618.6 Ų18.62%0.02310%0.096CC..Hα-helixtrans-70.2-29.6-177-76.599.1000112.6V69 V76 W77 F100 L101 E104 I167 K170 T171 Y174V69-W73 VanDerWaalsContact O-CD1 3.28Å; V69-W73 PolarHBondContact O-N 3.23Å; W73-V76 HydrophobicContact CE3-CB 4.26Å; W73-V76 HydrophobicContact CE3-CG1 4.17Å; W73-V76 HydrophobicContact CZ3-CG1 4.14Å; W73-V76 PolarHBondContact O-N 2.84Å; W73-W77 WeakPolarHBondContact O-CB 3.09Å; W73-W77 PolarHBondContact O-N 3.35Å; W73-F100 HydrophobicContact CZ2-CE2 4.24Å; W73-L101 HydrophobicContact CH2-CD2 4.05Å; W73-L101 HydrophobicContact CZ3-CD2 4.19Å; W73-E104 HydrophobicContact CH2-CB 4.39Å; W73-E104 HydrophobicContact CH2-CG 3.65Å; W73-E104 HydrophobicContact CZ2-CG 3.5Å; W73-I167 HydrophobicContact CH2-CD1 4.24Å; W73-I167 HydrophobicContact CZ3-CD1 4.34Å; W73-K170 HydrophobicContact CD2-CB 3.79Å; W73-K170 HydrophobicContact CD2-CG 4.47Å; W73-K170 HydrophobicContact CE3-CB 3.49Å; W73-K170 VanDerWaalsContact CE3-CB 3.49Å; W73-K170 HydrophobicContact CE3-CG 4.35Å; W73-K170 HydrophobicContact CH2-CB 3.94Å; W73-K170 HydrophobicContact CH2-CG 3.92Å; W73-K170 HydrophobicContact CZ2-CB 4.22Å; W73-K170 HydrophobicContact CZ2-CD 4.42Å; W73-K170 HydrophobicContact CZ2-CG 4.05Å; W73-K170 HydrophobicContact CZ3-CB 3.56Å; W73-K170 HydrophobicContact CZ3-CG 4.07Å; W73-T171 HydrophobicContact CE3-CG2 3.94Å; W73-T171 HydrophobicContact CZ3-CG2 4.44Å; W73-Y174 HydrophobicContact CB-CE2 4.12Å
74F95.7Very high93.8Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-65.5-42.2171.5-177.3-131.8000111.3W34 Y38 W40 E70 D71 E72 W77 M78 Y174 V178W34-F74 HydrophobicContact CB-CE2 4.31Å; W34-F74 HydrophobicContact CB-CZ 3.83Å; Y38-F74 AromaticContact CD1-CD1 3.65Å; Y38-F74 HydrophobicContact CD1-CD1 3.65Å; Y38-F74 AromaticContact CD1-CE1 3.78Å; Y38-F74 HydrophobicContact CD1-CE1 3.78Å; Y38-F74 AromaticContact CD2-CD1 3.68Å; Y38-F74 HydrophobicContact CD2-CD1 3.68Å; Y38-F74 AromaticContact CD2-CE1 3.72Å; Y38-F74 HydrophobicContact CD2-CE1 3.72Å; Y38-F74 HydrophobicContact CD2-CG 4.21Å; Y38-F74 HydrophobicContact CD2-CZ 4.26Å; Y38-F74 AromaticContact CE1-CD1 3.8Å; Y38-F74 HydrophobicContact CE1-CD1 3.8Å; Y38-F74 HydrophobicContact CE1-CE1 4.39Å; Y38-F74 HydrophobicContact CE2-CB 4.37Å; Y38-F74 AromaticContact CE2-CD1 3.84Å; Y38-F74 HydrophobicContact CE2-CD1 3.84Å; Y38-F74 HydrophobicContact CE2-CE1 4.35Å; Y38-F74 HydrophobicContact CE2-CG 4.09Å; Y38-F74 AromaticContact CG-CD1 3.59Å; Y38-F74 HydrophobicContact CG-CD1 3.59Å; Y38-F74 AromaticContact CG-CE1 3.39Å; Y38-F74 HydrophobicContact CG-CE1 3.39Å; Y38-F74 HydrophobicContact CG-CZ 4.21Å; Y38-F74 AromaticContact CZ-CD1 3.9Å; W40-F74 AromaticContact CH2-CD1 3.65Å; W40-F74 HydrophobicContact CH2-CD1 3.65Å; W40-F74 AromaticContact CH2-CE1 3.94Å; W40-F74 HydrophobicContact CH2-CE1 3.94Å; W40-F74 AromaticContact CZ2-CD1 3.95Å; W40-F74 HydrophobicContact CZ2-CD1 3.95Å; W40-F74 AromaticContact CZ2-CE1 3.76Å; W40-F74 HydrophobicContact CZ2-CE1 3.76Å; W40-F74 HydrophobicContact CZ3-CD1 4.25Å; E70-F74 WeakPolarHBondContact O-CB 3.42Å; E70-F74 PolarHBondContact O-N 3.47Å; D71-F74 PolarHBondContact O-N 3.4Å; E72-F74 VanDerWaalsContact C-N 3.31Å; E72-F74 PolarHBondContact O-N 3.08Å; F74-W77 AromaticContact CD2-CE3 3.91Å; F74-W77 HydrophobicContact CD2-CE3 3.91Å; F74-W77 HydrophobicContact CD2-CZ3 4.44Å; F74-W77 AromaticContact CE2-CE3 3.68Å; F74-W77 HydrophobicContact CE2-CE3 3.68Å; F74-W77 AromaticContact CE2-CZ3 3.75Å; F74-W77 HydrophobicContact CE2-CZ3 3.75Å; F74-W77 PolarHBondContact O-N 2.86Å; F74-M78 HydrophobicContact CD1-CE 3.89Å; F74-M78 HydrophobicContact CD1-SD 4.43Å; F74-M78 HydrophobicContact CD2-CG 4.36Å; F74-M78 HydrophobicContact CE1-CE 3.77Å; F74-M78 HydrophobicContact CE1-SD 3.81Å; F74-M78 HydrophobicContact CE2-CG 3.99Å; F74-M78 HydrophobicContact CE2-SD 4.18Å; F74-M78 HydrophobicContact CG-CE 4.41Å; F74-M78 HydrophobicContact CZ-CE 4.2Å; F74-M78 HydrophobicContact CZ-CG 4.1Å; F74-M78 HydrophobicContact CZ-SD 3.67Å; F74-M78 WeakPolarHBondContact O-CG 3.37Å; F74-M78 PolarHBondContact O-N 3.29Å; F74-Y174 HydrophobicContact CB-CD1 4.32Å; F74-Y174 HydrophobicContact CB-CE1 3.62Å; F74-Y174 HydrophobicContact CB-CE2 4.4Å; F74-Y174 AromaticContact CD2-CD1 3.41Å; F74-Y174 HydrophobicContact CD2-CD1 3.41Å; F74-Y174 VanDerWaalsContact CD2-CD1 3.41Å; F74-Y174 AromaticContact CD2-CE1 3.58Å; F74-Y174 HydrophobicContact CD2-CE1 3.58Å; F74-Y174 HydrophobicContact CD2-CG 4.02Å; F74-Y174 HydrophobicContact CE2-CD1 4.14Å; F74-Y174 HydrophobicContact CG-CD1 4.21Å; F74-Y174 AromaticContact CG-CE1 3.89Å; F74-Y174 HydrophobicContact CG-CE1 3.89Å; F74-Y174 PolarHBondContact N-OH 3.29Å; F74-V178 HydrophobicContact CD2-CG2 4.06Å; F74-V178 HydrophobicContact CE2-CG2 3.31Å; F74-V178 HydrophobicContact CZ-CG2 3.63Å
75I96.1Very high94.1Very high0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-63.3-45.9173.9-66.4164000110.9L5 Y7 W40 F45 V63 D71 E72 W77 M78 L79L5-I75 HydrophobicContact CD2-CB 3.68Å; L5-I75 HydrophobicContact CD2-CD1 3.94Å; L5-I75 HydrophobicContact CD2-CG1 4.43Å; L5-I75 HydrophobicContact CD2-CG2 3.55Å; Y7-I75 HydrophobicContact CD1-CG2 4.05Å; Y7-I75 HydrophobicContact CE1-CG2 3.86Å; W40-I75 HydrophobicContact CH2-CD1 4.25Å; W40-I75 HydrophobicContact CH2-CG1 3.72Å; W40-I75 HydrophobicContact CZ3-CD1 3.88Å; W40-I75 HydrophobicContact CZ3-CG1 3.79Å; F45-I75 HydrophobicContact CD2-CG1 4.21Å; F45-I75 HydrophobicContact CD2-CG2 3.94Å; F45-I75 HydrophobicContact CE2-CG2 4.08Å; V63-I75 HydrophobicContact CB-CD1 3.96Å; V63-I75 HydrophobicContact CG1-CD1 3.87Å; V63-I75 HydrophobicContact CG2-CD1 4.12Å; D71-I75 WeakPolarHBondContact O-CD1 3.27Å; D71-I75 VanDerWaalsContact O-CG1 3.23Å; D71-I75 WeakPolarHBondContact O-CG1 3.44Å; D71-I75 PolarHBondContact O-N 3.44Å; E72-I75 PolarHBondContact O-N 2.85Å; I75-W77 VanDerWaalsContact C-N 3.28Å; I75-W77 PolarHBondContact O-N 3.03Å; I75-M78 HydrophobicContact CB-CE 4.48Å; I75-M78 HydrophobicContact CG1-CE 4.05Å; I75-M78 PolarHBondContact O-N 3.39Å; I75-M78 VanDerWaalsContact O-N 3.16Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.13Å; I75-L79 WeakPolarHBondContact O-CB 3.18Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 2.79Å
76V96.5Very high94.4Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-56.2-44.7176171.50000111E72 W73 L79 S80 V93 F100 L101 F124 T171E72-V76 WeakPolarHBondContact O-CG2 3.26Å; E72-V76 PolarHBondContact O-N 2.99Å; W73-V76 HydrophobicContact CE3-CB 4.26Å; W73-V76 HydrophobicContact CE3-CG1 4.17Å; W73-V76 HydrophobicContact CZ3-CG1 4.14Å; W73-V76 PolarHBondContact O-N 2.84Å; V76-L79 PolarHBondContact O-N 3.44Å; V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3Å; V76-V93 HydrophobicContact CG2-CG1 4.38Å; V76-F100 HydrophobicContact CG2-CE2 4.39Å; V76-F100 HydrophobicContact CG2-CZ 3.75Å; V76-L101 HydrophobicContact CG1-CD2 4.11Å; V76-L101 HydrophobicContact CG2-CD2 4.09Å; V76-F124 HydrophobicContact CG1-CE2 3.94Å; V76-F124 HydrophobicContact CG1-CZ 3.7Å; V76-T171 HydrophobicContact CG1-CG2 4.35Å
77W96.6Very high94.7Very high19 Ų1929.6 Ų29.67%0.07215%0.15CC..Hα-helixtrans-60.8-48.6175.6174.980.9000111.9W34 W73 F74 I75 L79 S80 E81 T171 Y174 P175W34-W77 AromaticContact CD2-CH2 3.8Å; W34-W77 HydrophobicContact CD2-CH2 3.8Å; W34-W77 HydrophobicContact CD2-CZ3 4.08Å; W34-W77 AromaticContact CE2-CH2 3.86Å; W34-W77 HydrophobicContact CE3-CH2 4.04Å; W34-W77 HydrophobicContact CE3-CZ3 4.2Å; W34-W77 HydrophobicContact CG-CH2 4.24Å; W34-W77 HydrophobicContact CG-CZ3 4.23Å; W34-W77 HydrophobicContact CH2-CH2 4.38Å; W34-W77 HydrophobicContact CZ2-CH2 4.15Å; W34-W77 HydrophobicContact CZ3-CH2 4.33Å; W73-W77 WeakPolarHBondContact O-CB 3.09Å; W73-W77 PolarHBondContact O-N 3.35Å; F74-W77 AromaticContact CD2-CE3 3.91Å; F74-W77 HydrophobicContact CD2-CE3 3.91Å; F74-W77 HydrophobicContact CD2-CZ3 4.44Å; F74-W77 AromaticContact CE2-CE3 3.68Å; F74-W77 HydrophobicContact CE2-CE3 3.68Å; F74-W77 AromaticContact CE2-CZ3 3.75Å; F74-W77 HydrophobicContact CE2-CZ3 3.75Å; F74-W77 PolarHBondContact O-N 2.86Å; I75-W77 VanDerWaalsContact C-N 3.28Å; I75-W77 PolarHBondContact O-N 3.03Å; W77-L79 VanDerWaalsContact C-N 3.33Å; W77-L79 PolarHBondContact O-N 3.29Å; W77-S80 WeakPolarHBondContact O-CB 3.4Å; W77-S80 PolarHBondContact O-N 3.43Å; W77-E81 HydrophobicContact CD2-CG 4.23Å; W77-E81 HydrophobicContact CH2-CG 4.15Å; W77-E81 HydrophobicContact CZ2-CG 3.76Å; W77-E81 PolarHBondContact O-N 3.23Å; W77-T171 HydrophobicContact CB-CG2 3.98Å; W77-Y174 HydrophobicContact CB-CD2 3.89Å; W77-Y174 HydrophobicContact CB-CG 4.31Å; W77-Y174 VanDerWaalsContact CD2-CB 3.48Å; W77-Y174 HydrophobicContact CD2-CG 4.27Å; W77-Y174 HydrophobicContact CG-CD2 4.08Å; W77-Y174 HydrophobicContact CG-CG 4.14Å; W77-P175 HydrophobicContact CH2-CB 3.72Å; W77-P175 HydrophobicContact CH2-CG 4.34Å; W77-P175 HydrophobicContact CZ2-CB 3.95Å; W77-P175 HydrophobicContact CZ2-CG 4.2Å; W77-P175 HydrophobicContact CZ3-CB 4.43Å
78M97Very high95.1Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-60.4-40.8178.1-73.3-168.3-6600112.7L31 W40 F45 F74 I75 E81 I82L31-M78 HydrophobicContact CD1-CB 3.95Å; L31-M78 HydrophobicContact CD1-CG 4.4Å; L31-M78 HydrophobicContact CD1-SD 4.12Å; L31-M78 HydrophobicContact CD2-CB 3.99Å; L31-M78 HydrophobicContact CD2-CG 4.04Å; L31-M78 HydrophobicContact CD2-SD 4.36Å; W40-M78 HydrophobicContact CH2-CE 3.56Å; W40-M78 HydrophobicContact CZ2-CE 3.87Å; F45-M78 HydrophobicContact CB-CE 3.78Å; F45-M78 HydrophobicContact CD2-CE 3.87Å; F45-M78 HydrophobicContact CG-CE 3.87Å; F74-M78 HydrophobicContact CD1-CE 3.89Å; F74-M78 HydrophobicContact CD1-SD 4.43Å; F74-M78 HydrophobicContact CD2-CG 4.36Å; F74-M78 HydrophobicContact CE1-CE 3.77Å; F74-M78 HydrophobicContact CE1-SD 3.81Å; F74-M78 HydrophobicContact CE2-CG 3.99Å; F74-M78 HydrophobicContact CE2-SD 4.18Å; F74-M78 HydrophobicContact CG-CE 4.41Å; F74-M78 HydrophobicContact CZ-CE 4.2Å; F74-M78 HydrophobicContact CZ-CG 4.1Å; F74-M78 HydrophobicContact CZ-SD 3.67Å; F74-M78 WeakPolarHBondContact O-CG 3.37Å; F74-M78 PolarHBondContact O-N 3.29Å; I75-M78 HydrophobicContact CB-CE 4.48Å; I75-M78 HydrophobicContact CG1-CE 4.05Å; I75-M78 PolarHBondContact O-N 3.39Å; I75-M78 VanDerWaalsContact O-N 3.16Å; M78-E81 PolarHBondContact O-N 3.47Å; M78-I82 PolarHBondContact O-N 2.98Å
79L97.7Very high95.3Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-65.3-41.3176.2-69.1174.3000111.3Y7 L9 F45 I75 V76 W77 E81 I82 S83 I91 V93Y7-L79 HydrophobicContact CD1-CD1 4.15Å; Y7-L79 HydrophobicContact CD2-CD1 4.15Å; Y7-L79 HydrophobicContact CD2-CD2 3.84Å; Y7-L79 HydrophobicContact CE2-CD2 4.32Å; Y7-L79 HydrophobicContact CG-CD1 3.72Å; Y7-L79 HydrophobicContact CG-CD2 4.28Å; L9-L79 HydrophobicContact CD1-CD2 3.9Å; L9-L79 HydrophobicContact CG-CD2 4.47Å; F45-L79 HydrophobicContact CE2-CD2 3.83Å; F45-L79 HydrophobicContact CE2-CG 4.26Å; F45-L79 HydrophobicContact CZ-CD2 3.99Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.13Å; I75-L79 WeakPolarHBondContact O-CB 3.18Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.43Å; I75-L79 PolarHBondContact O-N 2.79Å; V76-L79 PolarHBondContact O-N 3.44Å; W77-L79 VanDerWaalsContact C-N 3.33Å; W77-L79 PolarHBondContact O-N 3.29Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.31Å; L79-I82 HydrophobicContact CD2-CD1 4.39Å; L79-I82 PolarHBondContact O-N 3.23Å; L79-S83 PolarHBondContact O-N 2.72Å; L79-I91 HydrophobicContact CB-CD1 4.25Å; L79-I91 HydrophobicContact CB-CG2 4.27Å; L79-I91 HydrophobicContact CD1-CG2 4.25Å; L79-I91 HydrophobicContact CD2-CD1 4.42Å; L79-I91 HydrophobicContact CD2-CG2 4.11Å; L79-I91 HydrophobicContact CG-CG2 4.45Å; L79-I91 WeakPolarHBondContact O-CD1 3.41Å; L79-V93 HydrophobicContact CD1-CB 4.49Å; L79-V93 HydrophobicContact CD1-CG1 4.21Å; L79-V93 HydrophobicContact CD1-CG2 3.46Å; L79-V93 VanDerWaalsContact CD1-CG2 3.46Å
80S96Very high95.6Very high13 Ų1323.2 Ų23.29%0.09112%0.115CC..Hα-helixtrans-56.6-45170.6154.90000111.2V76 W77 S83 K84V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3Å; W77-S80 WeakPolarHBondContact O-CB 3.4Å; W77-S80 PolarHBondContact O-N 3.43Å; S80-S83 PolarHBondContact O-N 2.73Å; S80-S83 PolarHBondContact O-OG 2.91Å; S80-K84 WeakPolarHBondContact O-CG 3.21Å; S80-K84 PolarHBondContact O-N 2.86Å; S80-K84 VanDerWaalsContact O-N 3.09Å
81E96.3Very high95.9Very high38 Ų3820.4 Ų20.418%0.17810%0.102CC..Hα-helixtrans-63.9-39.6176.4-66.4-52.6125.200113F30 W77 M78 L79 S83 K84 L85F30-E81 HydrophobicContact CE1-CB 4.13Å; W77-E81 HydrophobicContact CD2-CG 4.23Å; W77-E81 HydrophobicContact CH2-CG 4.15Å; W77-E81 HydrophobicContact CZ2-CG 3.76Å; W77-E81 PolarHBondContact O-N 3.23Å; M78-E81 PolarHBondContact O-N 3.47Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.31Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.39Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.84Å; E81-K84 IonicContact OE1-NZ 2.7Å; E81-K84 PolarHBondContact OE1-NZ 3.14Å; E81-K84 IonicContact OE2-NZ 3.98Å; E81-L85 PolarHBondContact O-N 3.46Å
82I97.5Very high96Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-58.9-44.4171.7-69.8173.9000110.5L9 Y27 L31 F45 L47 M78 L79 K84 L85 D86 V89 I91L9-I82 HydrophobicContact CD2-CD1 4.13Å; L9-I82 HydrophobicContact CD2-CG2 3.91Å; Y27-I82 HydrophobicContact CD1-CG2 3.98Å; Y27-I82 HydrophobicContact CD2-CD1 4.42Å; Y27-I82 HydrophobicContact CD2-CG2 3.93Å; Y27-I82 HydrophobicContact CE1-CG2 3.99Å; Y27-I82 HydrophobicContact CE2-CG2 3.93Å; Y27-I82 HydrophobicContact CG-CD1 4.27Å; Y27-I82 HydrophobicContact CG-CG1 4.38Å; Y27-I82 HydrophobicContact CG-CG2 3.96Å; L31-I82 HydrophobicContact CD1-CD1 3.6Å; L31-I82 HydrophobicContact CD1-CG1 3.97Å; L31-I82 HydrophobicContact CG-CD1 4.44Å; L31-I82 HydrophobicContact CG-CG1 4.33Å; F45-I82 HydrophobicContact CZ-CD1 4.17Å; L47-I82 HydrophobicContact CD1-CD1 4.45Å; M78-I82 PolarHBondContact O-N 2.98Å; L79-I82 HydrophobicContact CD2-CD1 4.39Å; L79-I82 PolarHBondContact O-N 3.23Å; I82-K84 PolarHBondContact O-N 3.24Å; I82-L85 WeakPolarHBondContact O-CB 3.45Å; I82-L85 PolarHBondContact O-N 3.34Å; I82-L85 VanDerWaalsContact O-N 3.11Å; I82-D86 PolarHBondContact O-N 3.5Å; I82-V89 HydrophobicContact CG2-CG1 4.21Å; I82-I91 HydrophobicContact CB-CD1 4.24Å; I82-I91 HydrophobicContact CG2-CD1 4.12Å
83S96.9Very high96.2Very high0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-65.9-25.6-179.579.50000113.2L79 S80 E81 R126 G127L79-S83 PolarHBondContact O-N 2.72Å; S80-S83 PolarHBondContact O-N 2.73Å; S80-S83 PolarHBondContact O-OG 2.91Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.39Å; S83-R126 VanDerWaalsContact O-CA 3.28Å; S83-R126 WeakPolarHBondContact O-CA 3.5Å; S83-R126 PolarHBondContact O-N 3.38Å; S83-G127 VanDerWaalsContact OG-CA 3.28Å; S83-G127 WeakPolarHBondContact OG-CA 3.27Å; S83-G127 PolarHBondContact OG-N 3.35Å
84K96.3Very high96.1Very high112 Ų11221.8 Ų21.849%0.48711%0.111SC..Hα-helixtrans-75.4-39.2171.3-66.9172.5-169.8170.90111.6S80 E81 I82 G127S80-K84 WeakPolarHBondContact O-CG 3.21Å; S80-K84 PolarHBondContact O-N 2.86Å; S80-K84 VanDerWaalsContact O-N 3.09Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.84Å; E81-K84 IonicContact OE1-NZ 2.7Å; E81-K84 PolarHBondContact OE1-NZ 3.14Å; E81-K84 IonicContact OE2-NZ 3.98Å; I82-K84 PolarHBondContact O-N 3.24Å; K84-G127 VanDerWaalsContact CG-CA 3.41Å
85L96.3Very high96Very high72 Ų7222.9 Ų22.938%0.37712%0.117SC..Hα-helixtrans-66-45.8179.7178.668.4000111.9M26 Y27 F30 E81 I82M26-L85 HydrophobicContact CE-CD2 4.3Å; Y27-L85 HydrophobicContact CD1-CD2 4.19Å; F30-L85 HydrophobicContact CB-CD2 3.99Å; F30-L85 HydrophobicContact CD1-CD2 3.85Å; F30-L85 HydrophobicContact CD2-CD2 4.11Å; F30-L85 HydrophobicContact CE1-CD2 4.35Å; F30-L85 HydrophobicContact CG-CD2 3.71Å; E81-L85 PolarHBondContact O-N 3.46Å; I82-L85 WeakPolarHBondContact O-CB 3.45Å; I82-L85 PolarHBondContact O-N 3.34Å; I82-L85 VanDerWaalsContact O-N 3.11Å
86D95.9Very high95.5Very high12 Ų1226.1 Ų26.16%0.06413%0.132CC..  trans-115.8101.1-179-171.2-14.4000111.4K23 Y27 I82 E88 V89K23-D86 WeakPolarHBondContact CD-OD2 3.37Å; K23-D86 WeakPolarHBondContact CE-OD2 3.32Å; K23-D86 IonicContact NZ-OD1 3.55Å; K23-D86 IonicContact NZ-OD2 2.78Å; K23-D86 PolarHBondContact NZ-OD2 2.97Å; Y27-D86 HydrophobicContact CE1-CB 3.86Å; Y27-D86 WeakPolarHBondContact OH-CB 3.32Å; Y27-D86 PolarHBondContact OH-OD2 3.12Å; I82-D86 PolarHBondContact O-N 3.5Å; D86-E88 PolarHBondContact O-N 3.49Å; D86-E88 VanDerWaalsContact O-N 3.11Å; D86-E88 VanDerWaalsContact OD1-CB 3.31Å; D86-E88 WeakPolarHBondContact OD1-CB 3.49Å; D86-E88 PolarHBondContact OD1-N 3.29Å; D86-V89 HydrophobicContact CB-CB 4.43Å; D86-V89 HydrophobicContact CB-CG1 4.15Å; D86-V89 VanDerWaalsContact O-CG1 3.31Å; D86-V89 WeakPolarHBondContact O-CG1 3.4Å; D86-V89 PolarHBondContact O-N 3.46Å
87P92.9Very high95.2Very high64 Ų6432.5 Ų32.542%0.41617%0.166SC..THydrogen-bonded Turntrans-71.2-2.9-179.630.6-36.2000114.1Y125 R126P87-Y125 VanDerWaalsContact O-CE2 3.26Å; P87-Y125 WeakPolarHBondContact O-CE2 3.39Å; P87-Y125 PolarHBondContact O-OH 3.35Å; P87-R126 HydrophobicContact CB-CG 4.18Å
88E93Very high94.9Very high80 Ų8032.9 Ų32.937%0.37418%0.176SC..THydrogen-bonded Turntrans-94.9-0.9174.8-54-173.2137.100113.4L12 N13 K23 D86L12-E88 WeakPolarHBondContact CG-O 3.4Å; L12-E88 PolarHBondContact N-O 3.11Å; N13-E88 PolarHBondContact ND2-OE1 3.45Å; K23-E88 IonicContact NZ-OE2 3.77Å; K23-E88 PolarHBondContact NZ-OE2 3.4Å; D86-E88 PolarHBondContact O-N 3.49Å; D86-E88 VanDerWaalsContact O-N 3.11Å; D86-E88 VanDerWaalsContact OD1-CB 3.31Å; D86-E88 WeakPolarHBondContact OD1-CB 3.49Å; D86-E88 PolarHBondContact OD1-N 3.29Å
89V96.4Very high94.6Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-103.3136.3178.384.30000110.9L9 F11 I82 D86 I91L9-V89 HydrophobicContact CB-CG2 3.78Å; L9-V89 HydrophobicContact CG-CG2 4.49Å; F11-V89 HydrophobicContact CD1-CB 4.4Å; F11-V89 HydrophobicContact CD1-CG2 4Å; F11-V89 HydrophobicContact CE1-CG2 4.08Å; I82-V89 HydrophobicContact CG2-CG1 4.21Å; D86-V89 HydrophobicContact CB-CB 4.43Å; D86-V89 HydrophobicContact CB-CG1 4.15Å; D86-V89 VanDerWaalsContact O-CG1 3.31Å; D86-V89 WeakPolarHBondContact O-CG1 3.4Å; D86-V89 PolarHBondContact O-N 3.46Å; V89-I91 HydrophobicContact CG1-CD1 4.23Å; V89-I91 HydrophobicContact CG1-CG1 4.15Å; V89-I91 HydrophobicContact CG2-CG1 4.37Å
90I96.7Very high94.4Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-113142.6165.357.8169.6000108.3I10 L12 W123 F124 Y125 L146 F149I10-I90 HydrophobicContact CB-CD1 4.48Å; I10-I90 HydrophobicContact CB-CG1 4.02Å; I10-I90 PolarHBondContact N-O 2.92Å; I10-I90 WeakPolarHBondContact O-CG1 3.14Å; I10-I90 PolarHBondContact O-N 3.2Å; L12-I90 HydrophobicContact CD2-CD1 4.35Å; L12-I90 HydrophobicContact CD2-CG1 4.42Å; L12-I90 HydrophobicContact CD2-CG2 3.94Å; I90-W123 HydrophobicContact CB-CE3 4.05Å; I90-W123 HydrophobicContact CD1-CD2 4.25Å; I90-W123 HydrophobicContact CD1-CE3 3.76Å; I90-W123 HydrophobicContact CD1-CH2 4.4Å; I90-W123 HydrophobicContact CD1-CZ3 3.83Å; I90-W123 HydrophobicContact CG1-CE3 3.96Å; I90-W123 HydrophobicContact CG1-CZ3 4.11Å; I90-F124 WeakPolarHBondContact CA-O 3.48Å; I90-Y125 HydrophobicContact CG2-CD2 3.44Å; I90-Y125 VanDerWaalsContact CG2-CD2 3.44Å; I90-Y125 HydrophobicContact CG2-CE2 4.03Å; I90-Y125 HydrophobicContact CG2-CG 4.09Å; I90-L146 HydrophobicContact CD1-CD2 3.53Å; I90-F149 HydrophobicContact CD1-CD2 3.81Å; I90-F149 HydrophobicContact CD1-CE2 4.27Å; I90-F149 HydrophobicContact CD1-CG 4.24Å; I90-F149 HydrophobicContact CG2-CB 4.31Å; I90-F149 HydrophobicContact CG2-CD1 3.65Å; I90-F149 HydrophobicContact CG2-CD2 4.24Å; I90-F149 HydrophobicContact CG2-CE1 3.96Å; I90-F149 HydrophobicContact CG2-CG 3.83Å; I90-F149 HydrophobicContact CG2-CZ 4.39Å
91I98Very high94.4Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-127125.7-172.2-46.5-179.1000109.9K8 L9 L79 I82 V89 V93 W123 F124K8-I91 CarbonylContact O-C 3.59Å; K8-I91 VanDerWaalsContact O-CA 3.27Å; K8-I91 WeakPolarHBondContact O-CA 3.46Å; L9-I91 HydrophobicContact CB-CG1 4.45Å; L9-I91 HydrophobicContact CD1-CG2 4.12Å; L9-I91 HydrophobicContact CD2-CD1 4.24Å; L9-I91 HydrophobicContact CG-CD1 3.99Å; L9-I91 HydrophobicContact CG-CG1 3.92Å; L9-I91 HydrophobicContact CG-CG2 4.06Å; L79-I91 HydrophobicContact CB-CD1 4.25Å; L79-I91 HydrophobicContact CB-CG2 4.27Å; L79-I91 HydrophobicContact CD1-CG2 4.25Å; L79-I91 HydrophobicContact CD2-CD1 4.42Å; L79-I91 HydrophobicContact CD2-CG2 4.11Å; L79-I91 HydrophobicContact CG-CG2 4.45Å; L79-I91 WeakPolarHBondContact O-CD1 3.41Å; I82-I91 HydrophobicContact CB-CD1 4.24Å; I82-I91 HydrophobicContact CG2-CD1 4.12Å; V89-I91 HydrophobicContact CG1-CD1 4.23Å; V89-I91 HydrophobicContact CG1-CG1 4.15Å; V89-I91 HydrophobicContact CG2-CG1 4.37Å; I91-V93 HydrophobicContact CG2-CG2 4.08Å; I91-W123 CarbonylContact O-C 3.53Å; I91-W123 WeakPolarHBondContact O-CA 3.18Å; I91-F124 HydrophobicContact CB-CB 4.16Å; I91-F124 PolarHBondContact N-O 3.39Å; I91-F124 PolarHBondContact O-N 2.94Å
92Q96.6Very high94.2Very high12 Ų1233.1 Ų33.16%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-101.1140.4168.2-170.1-179.619.900108.8Y7 K8 T94 E99 W123Y7-Q92 CarbonylContact C-O 3.54Å; Y7-Q92 WeakPolarHBondContact CA-O 3.5Å; Y7-Q92 WeakPolarHBondContact CB-O 3.13Å; K8-Q92 HydrophobicContact CB-CB 4.48Å; K8-Q92 PolarHBondContact N-O 3.12Å; K8-Q92 PolarHBondContact O-N 2.89Å; Q92-T94 HydrophobicContact CG-CG2 4.22Å; Q92-E99 PolarHBondContact NE2-OE1 3.43Å; Q92-E99 VanDerWaalsContact NE2-OE1 3.16Å; Q92-W123 HydrophobicContact CB-CD2 4.48Å; Q92-W123 HydrophobicContact CB-CE3 3.86Å; Q92-W123 HydrophobicContact CB-CH2 4.06Å; Q92-W123 HydrophobicContact CB-CZ3 3.64Å
93V96.4Very high94Very high2 Ų238.3 Ų38.31%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-135.2125.4178-1670000108.2L5 S6 V76 L79 I91 F100 L101 F124L5-V93 HydrophobicContact CD1-CG1 3.7Å; L5-V93 HydrophobicContact CD2-CG1 4.14Å; L5-V93 HydrophobicContact CG-CG1 3.96Å; S6-V93 WeakPolarHBondContact O-CA 3.27Å; V76-V93 HydrophobicContact CG2-CG1 4.38Å; L79-V93 HydrophobicContact CD1-CB 4.49Å; L79-V93 HydrophobicContact CD1-CG1 4.21Å; L79-V93 HydrophobicContact CD1-CG2 3.46Å; L79-V93 VanDerWaalsContact CD1-CG2 3.46Å; I91-V93 HydrophobicContact CG2-CG2 4.08Å; V93-F100 HydrophobicContact CG1-CE1 4.07Å; V93-F100 HydrophobicContact CG1-CZ 4.41Å; V93-L101 HydrophobicContact CB-CD1 4.41Å; V93-F124 HydrophobicContact CG2-CD2 4.14Å; V93-F124 HydrophobicContact CG2-CE2 4.29Å
94T94Very high93.7Very high33 Ų3341.9 Ų41.920%0.20222%0.219CC..EExtended strand (participates in β ladder)trans-139.3143.4-17856.70000110.2S6 Q92 G98S6-T94 PolarHBondContact N-O 3.11Å; S6-T94 PolarHBondContact O-N 3.01Å; S6-T94 VanDerWaalsContact O-O 3.05Å; Q92-T94 HydrophobicContact CG-CG2 4.22Å; T94-G98 CarbonylContact C-O 3.41Å; T94-G98 WeakPolarHBondContact CA-O 3.47Å; T94-G98 VanDerWaalsContact CB-O 3.27Å; T94-G98 WeakPolarHBondContact CB-O 3.49Å
95D92.7Very high93.4Very high24 Ų2436.6 Ų36.613%0.12820%0.196CC..BIsolated β-bridgetrans-106.8-164.9171.468.5-9.4000110.6S4 L5 D97 G98 F100S4-D95 WeakPolarHBondContact O-CA 3.28Å; L5-D95 HydrophobicContact CD1-CB 4.17Å; D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 WeakPolarHBondContact OD1-CA 3.3Å; D95-D97 PolarHBondContact OD1-N 3.2Å; D95-G98 PolarHBondContact N-O 3.12Å; D95-G98 VanDerWaalsContact N-O 3.09Å; D95-G98 PolarHBondContact O-N 2.94Å; D95-G98 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact OD1-N 3.28Å; D95-F100 HydrophobicContact CB-CD1 3.88Å; D95-F100 HydrophobicContact CB-CE1 4.37Å; D95-F100 HydrophobicContact CB-CG 4.33Å; D95-F100 VanDerWaalsContact CG-CB 3.48Å; D95-F100 WeakPolarHBondContact OD1-CB 3.36Å; D95-F100 WeakPolarHBondContact OD2-CB 3.44Å; D95-F100 WeakPolarHBondContact OD2-CG 3.28Å
96E86.9Confident93.1Very high67 Ų6735.9 Ų35.931%0.31320%0.201SC..THydrogen-bonded Turntrans-64.9-26.3176.8-62.6-168.4-8800113.6M1 R2 N3 G98M1-E96 WeakPolarHBondContact CA-OE2 3.44Å; M1-E96 WeakPolarHBondContact CB-OE2 3.48Å; R2-E96 WeakPolarHBondContact CA-OE1 3.27Å; R2-E96 VanDerWaalsContact N-CD 3.33Å; R2-E96 PolarHBondContact N-OE1 3.02Å; R2-E96 PolarHBondContact N-OE2 3.16Å; R2-E96 WeakPolarHBondContact O-CG 3.31Å; R2-E96 VanDerWaalsContact O-OE2 3.12Å; N3-E96 WeakPolarHBondContact CA-OE1 3.2Å; N3-E96 PolarHBondContact N-OE1 3.42Å; E96-G98 VanDerWaalsContact C-N 3.28Å
97D88.8Confident92.8Very high135 Ų13542.7 Ų42.772%0.72224%0.237SC*.THydrogen-bonded Turntrans-85.9-3.3176.1-69.2-34.3000112.1D95D95-D97 PolarHBondContact O-N 2.89Å; D95-D97 WeakPolarHBondContact OD1-CA 3.3Å; D95-D97 PolarHBondContact OD1-N 3.2Å
98G90Very high92.6Very high27 Ų2743.5 Ų43.528%0.27824%0.236SC..BIsolated β-bridgetrans92.5-111.4179.300000112.4T94 D95 E96 F100T94-G98 CarbonylContact C-O 3.41Å; T94-G98 WeakPolarHBondContact CA-O 3.47Å; T94-G98 VanDerWaalsContact CB-O 3.27Å; T94-G98 WeakPolarHBondContact CB-O 3.49Å; D95-G98 PolarHBondContact N-O 3.12Å; D95-G98 VanDerWaalsContact N-O 3.09Å; D95-G98 PolarHBondContact O-N 2.94Å; D95-G98 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact OD1-N 3.28Å; E96-G98 VanDerWaalsContact C-N 3.28Å; G98-F100 VanDerWaalsContact C-N 3.32Å; G98-F100 PolarHBondContact O-N 3.36Å; G98-F100 VanDerWaalsContact O-N 3.15Å
99E92.2Very high92.4Very high26 Ų2641.7 Ų41.712%0.12123%0.228CC..  trans-9058.6-173-61-71.217900111.4Q92 L101 L102 A118 V122Q92-E99 PolarHBondContact NE2-OE1 3.43Å; Q92-E99 VanDerWaalsContact NE2-OE1 3.16Å; E99-L101 PolarHBondContact O-N 3.16Å; E99-L101 VanDerWaalsContact O-N 3.11Å; E99-L102 HydrophobicContact CB-CD1 3.88Å; E99-L102 HydrophobicContact CB-CG 4.16Å; E99-L102 VanDerWaalsContact O-CB 3.28Å; E99-L102 WeakPolarHBondContact O-CB 3.46Å; E99-L102 PolarHBondContact O-N 3.37Å; E99-A118 HydrophobicContact CB-CB 4.48Å; E99-A118 HydrophobicContact CG-CB 4.11Å; E99-V122 HydrophobicContact CB-CG2 4.47Å; E99-V122 HydrophobicContact CG-CG2 4.38Å; E99-V122 WeakPolarHBondContact OE2-CB 3.47Å
100F93.3Very high92Very high11 Ų1143.3 Ų43.35%0.04824%0.239CC..THydrogen-bonded Turntrans-58.7-25.1-173.576.2-73.9000115.5L5 W73 V76 V93 D95 G98 L102 I103L5-F100 HydrophobicContact CD1-CD1 4.47Å; L5-F100 HydrophobicContact CD1-CE1 3.54Å; L5-F100 HydrophobicContact CD1-CZ 3.74Å; W73-F100 HydrophobicContact CZ2-CE2 4.24Å; V76-F100 HydrophobicContact CG2-CE2 4.39Å; V76-F100 HydrophobicContact CG2-CZ 3.75Å; V93-F100 HydrophobicContact CG1-CE1 4.07Å; V93-F100 HydrophobicContact CG1-CZ 4.41Å; D95-F100 HydrophobicContact CB-CD1 3.88Å; D95-F100 HydrophobicContact CB-CE1 4.37Å; D95-F100 HydrophobicContact CB-CG 4.33Å; D95-F100 VanDerWaalsContact CG-CB 3.48Å; D95-F100 WeakPolarHBondContact OD1-CB 3.36Å; D95-F100 WeakPolarHBondContact OD2-CB 3.44Å; D95-F100 WeakPolarHBondContact OD2-CG 3.28Å; G98-F100 VanDerWaalsContact C-N 3.32Å; G98-F100 PolarHBondContact O-N 3.36Å; G98-F100 VanDerWaalsContact O-N 3.15Å; F100-L102 PolarHBondContact O-N 3.22Å; F100-L102 VanDerWaalsContact O-N 3.12Å; F100-I103 HydrophobicContact CB-CD1 4.2Å; F100-I103 VanDerWaalsContact O-CB 3.24Å; F100-I103 WeakPolarHBondContact O-CB 3.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.28Å; F100-I103 PolarHBondContact O-N 3.1Å
101L94.7Very high91.6Very high1 Ų149.2 Ų49.21%0.00528%0.28CS..Hα-helixtrans-58.3-27.3175-61.7177000112.1W73 V76 V93 E99 I103 C105 F124 L129 I167W73-L101 HydrophobicContact CH2-CD2 4.05Å; W73-L101 HydrophobicContact CZ3-CD2 4.19Å; V76-L101 HydrophobicContact CG1-CD2 4.11Å; V76-L101 HydrophobicContact CG2-CD2 4.09Å; V93-L101 HydrophobicContact CB-CD1 4.41Å; E99-L101 PolarHBondContact O-N 3.16Å; E99-L101 VanDerWaalsContact O-N 3.11Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.06Å; L101-C105 PolarHBondContact O-SG 3.28Å; L101-C105 VanDerWaalsContact O-SG 3.34Å; L101-F124 HydrophobicContact CD1-CD2 4.44Å; L101-F124 HydrophobicContact CD1-CE2 3.6Å; L101-F124 HydrophobicContact CD1-CZ 4.16Å; L101-L129 HydrophobicContact CB-CD2 4.32Å; L101-L129 HydrophobicContact CD1-CD1 3.94Å; L101-I167 HydrophobicContact CB-CD1 4.39Å; L101-I167 HydrophobicContact CD2-CD1 4.29Å
102L93.2Very high91.3Very high18 Ų1851.2 Ų51.29%0.09429%0.288CS..Hα-helixtrans-69.2-26.8175.1-63.9-176.1000112.5E99 F100 C105 A106 L109 I113 A118 V122 I131E99-L102 HydrophobicContact CB-CD1 3.88Å; E99-L102 HydrophobicContact CB-CG 4.16Å; E99-L102 VanDerWaalsContact O-CB 3.28Å; E99-L102 WeakPolarHBondContact O-CB 3.46Å; E99-L102 PolarHBondContact O-N 3.37Å; F100-L102 PolarHBondContact O-N 3.22Å; F100-L102 VanDerWaalsContact O-N 3.12Å; L102-C105 CarbonylContact O-C 3.59Å; L102-C105 PolarHBondContact O-N 3.12Å; L102-C105 VanDerWaalsContact O-N 3.14Å; L102-A106 WeakPolarHBondContact O-CA 3.16Å; L102-A106 PolarHBondContact O-N 3Å; L102-L109 HydrophobicContact CB-CD1 3.86Å; L102-L109 HydrophobicContact CD2-CD1 4.2Å; L102-L109 HydrophobicContact CD2-CD2 3.8Å; L102-L109 HydrophobicContact CG-CD1 4.49Å; L102-L109 WeakPolarHBondContact O-CD1 3.17Å; L102-I113 HydrophobicContact CD1-CD1 3.84Å; L102-I113 HydrophobicContact CD1-CG1 4.42Å; L102-I113 HydrophobicContact CD2-CD1 4.3Å; L102-A118 HydrophobicContact CD1-CB 3.75Å; L102-V122 HydrophobicContact CD1-CG2 3.88Å; L102-V122 HydrophobicContact CD2-CG2 3.84Å; L102-V122 HydrophobicContact CG-CG2 3.96Å; L102-I131 HydrophobicContact CD2-CD1 3.69Å; L102-I131 HydrophobicContact CD2-CG1 4.43Å
103I91.9Very high91.1Very high108 Ų10851.3 Ų51.355%0.55429%0.288SS*.Hα-helixtrans-63.9-46.7179.9-59.2173.7000110.3F100 L101 C105 A106F100-I103 HydrophobicContact CB-CD1 4.2Å; F100-I103 VanDerWaalsContact O-CB 3.24Å; F100-I103 WeakPolarHBondContact O-CB 3.49Å; F100-I103 WeakPolarHBondContact O-CG1 3.28Å; F100-I103 PolarHBondContact O-N 3.1Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.06Å; I103-C105 PolarHBondContact O-N 2.81Å; I103-A106 VanDerWaalsContact O-CB 3.29Å; I103-A106 WeakPolarHBondContact O-CB 3.49Å; I103-A106 PolarHBondContact O-N 3.49Å
104E90.8Very high90.7Very high75 Ų7555.6 Ų55.635%0.3531%0.311SS..Hα-helixtrans-66.2-22.1176.6-64.3-64.8169.200112.9W73 S166 K170W73-E104 HydrophobicContact CH2-CB 4.39Å; W73-E104 HydrophobicContact CH2-CG 3.65Å; W73-E104 HydrophobicContact CZ2-CG 3.5Å; E104-S166 PolarHBondContact O-OG 2.91Å; E104-K170 HydrophobicContact CG-CG 4.34Å; E104-K170 WeakPolarHBondContact OE1-CE 3.22Å; E104-K170 IonicContact OE1-NZ 3.71Å; E104-K170 PolarHBondContact OE1-NZ 2.84Å; E104-K170 IonicContact OE2-NZ 3.35Å
105C90.4Very high90.4Very high1 Ų159.8 Ų59.81%0.00734%0.339CS..THydrogen-bonded Turntrans-97.50.4179.6-59.70000113.2L101 L102 I103 N107 Q108 L109 I163L101-C105 PolarHBondContact O-SG 3.28Å; L101-C105 VanDerWaalsContact O-SG 3.34Å; L102-C105 CarbonylContact O-C 3.59Å; L102-C105 PolarHBondContact O-N 3.12Å; L102-C105 VanDerWaalsContact O-N 3.14Å; I103-C105 PolarHBondContact O-N 2.81Å; C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 3.23Å; C105-Q108 WeakPolarHBondContact O-CA 3.35Å; C105-Q108 PolarHBondContact O-N 3.44Å; C105-L109 HydrophobicContact CB-CD2 3.94Å; C105-L109 HydrophobicContact CB-CG 4.29Å; C105-L109 WeakPolarHBondContact O-CG 3.26Å; C105-L109 PolarHBondContact O-N 3.23Å; C105-I163 HydrophobicContact CB-CG1 4.37Å
106A89.6Confident90.1Very high57 Ų5765.2 Ų65.247%0.47136%0.364SS..G310 helixtrans-50.6-41-163.900000114.4L102 I103 Q108 L109L102-A106 WeakPolarHBondContact O-CA 3.16Å; L102-A106 PolarHBondContact O-N 3Å; I103-A106 VanDerWaalsContact O-CB 3.29Å; I103-A106 WeakPolarHBondContact O-CB 3.49Å; I103-A106 PolarHBondContact O-N 3.49Å; A106-Q108 PolarHBondContact O-N 3.39Å; A106-L109 PolarHBondContact O-N 3.23Å
107N89.6Confident90.3Very high155 Ų15562.8 Ų62.883%0.82935%0.353SS*.G310 helixtrans-68.3-16.9179.9-67.9-33000114.5C105C105-N107 VanDerWaalsContact C-N 3.27Å; C105-N107 PolarHBondContact O-N 3.23Å
108Q88.5Confident90.5Very high82 Ų8256.5 Ų56.538%0.38332%0.32SS..G310 helixtrans-110.1-3.7-176.3-49.8-55.9-40.100111.9C105 A106 N162 I163C105-Q108 WeakPolarHBondContact O-CA 3.35Å; C105-Q108 PolarHBondContact O-N 3.44Å; A106-Q108 PolarHBondContact O-N 3.39Å; Q108-N162 HydrophobicContact CB-CB 4.19Å; Q108-N162 HydrophobicContact CG-CB 3.82Å; Q108-N162 PolarHBondContact OE1-ND2 3.2Å; Q108-I163 HydrophobicContact CB-CG1 4.07Å
109L89.8Confident90.6Very high42 Ų4260.1 Ų60.122%0.2233%0.329CS..SBendtrans-73.5142.8-179.9-65.8-177.3000111L102 C105 A106 I113 I131 I163L102-L109 HydrophobicContact CB-CD1 3.86Å; L102-L109 HydrophobicContact CD2-CD1 4.2Å; L102-L109 HydrophobicContact CD2-CD2 3.8Å; L102-L109 HydrophobicContact CG-CD1 4.49Å; L102-L109 WeakPolarHBondContact O-CD1 3.17Å; C105-L109 HydrophobicContact CB-CD2 3.94Å; C105-L109 HydrophobicContact CB-CG 4.29Å; C105-L109 WeakPolarHBondContact O-CG 3.26Å; C105-L109 PolarHBondContact O-N 3.23Å; A106-L109 PolarHBondContact O-N 3.23Å; L109-I113 HydrophobicContact CB-CG2 3.88Å; L109-I113 HydrophobicContact CD1-CG2 4.08Å; L109-I113 HydrophobicContact CD2-CG2 4.43Å; L109-I113 HydrophobicContact CG-CG2 4.34Å; L109-I131 HydrophobicContact CD2-CD1 3.84Å; L109-I163 HydrophobicContact CD2-CD1 4.34Å
110P87.8Confident90.6Very high33 Ų3359.8 Ų59.821%0.21433%0.328CS..  trans-71.1145.4174.233.1-37.1000109.9W112 I113 L158P110-W112 VanDerWaalsContact CB-CD1 3.5Å; P110-W112 HydrophobicContact CB-CG 4.4Å; P110-W112 VanDerWaalsContact CB-NE1 3.32Å; P110-W112 HydrophobicContact CG-CD2 4.32Å; P110-W112 HydrophobicContact CG-CG 4.42Å; P110-W112 HydrophobicContact CG-CZ2 3.89Å; P110-W112 PolarHBondContact O-N 3.44Å; P110-I113 HydrophobicContact CG-CG2 4.19Å; P110-I113 WeakPolarHBondContact O-CG2 3.31Å; P110-I113 PolarHBondContact O-N 3.41Å; P110-I113 VanDerWaalsContact O-N 3.15Å; P110-L158 HydrophobicContact CG-CD2 3.79Å
111S88.5Confident90.7Very high125 Ų12559.3 Ų59.387%0.87433%0.326SS*.THydrogen-bonded Turntrans-63.2-3.5-175.5680000116
112W91.7Very high90.7Very high42 Ų4259.4 Ų59.416%0.15933%0.327CS..THydrogen-bonded Turntrans-91.1-20.7178.966.3-100.4000113.2P110 N117 I131 C133 R136P110-W112 VanDerWaalsContact CB-CD1 3.5Å; P110-W112 HydrophobicContact CB-CG 4.4Å; P110-W112 VanDerWaalsContact CB-NE1 3.32Å; P110-W112 HydrophobicContact CG-CD2 4.32Å; P110-W112 HydrophobicContact CG-CG 4.42Å; P110-W112 HydrophobicContact CG-CZ2 3.89Å; P110-W112 PolarHBondContact O-N 3.44Å; W112-N117 PolarHBondContact O-ND2 3.28Å; W112-I131 HydrophobicContact CH2-CG2 4.03Å; W112-I131 HydrophobicContact CZ2-CG2 4.4Å; W112-C133 HydrophobicContact CZ2-CB 4.38Å; W112-R136 HydrophobicContact CD2-CB 4.03Å; W112-R136 HydrophobicContact CD2-CG 3.94Å; W112-R136 HydrophobicContact CE3-CB 3.83Å; W112-R136 HydrophobicContact CE3-CG 4.06Å; W112-R136 HydrophobicContact CG-CB 4.35Å; W112-R136 HydrophobicContact CG-CG 4.34Å; W112-R136 HydrophobicContact CZ3-CB 4.48Å; W112-R136 HydrophobicContact CZ3-CG 4.5Å
113I91.5Very high90.9Very high13 Ų1358.6 Ų58.67%0.06732%0.322CS..  trans-85.3128.4179.7-164168.2000109.5L102 L109 P110 N117 A118 I131L102-I113 HydrophobicContact CD1-CD1 3.84Å; L102-I113 HydrophobicContact CD1-CG1 4.42Å; L102-I113 HydrophobicContact CD2-CD1 4.3Å; L109-I113 HydrophobicContact CB-CG2 3.88Å; L109-I113 HydrophobicContact CD1-CG2 4.08Å; L109-I113 HydrophobicContact CD2-CG2 4.43Å; L109-I113 HydrophobicContact CG-CG2 4.34Å; P110-I113 HydrophobicContact CG-CG2 4.19Å; P110-I113 WeakPolarHBondContact O-CG2 3.31Å; P110-I113 PolarHBondContact O-N 3.41Å; P110-I113 VanDerWaalsContact O-N 3.15Å; I113-N117 WeakPolarHBondContact CA-OD1 3.15Å; I113-A118 HydrophobicContact CD1-CB 4.31Å; I113-A118 HydrophobicContact CG1-CB 4.21Å; I113-I131 HydrophobicContact CD1-CG2 3.68Å
114N89Confident91.1Very high93 Ų9353.6 Ų53.650%0.49730%0.297SS..  trans-137.2161.6-178.7-65.1-34.5000108.3E116 N117 A118N114-E116 PolarHBondContact O-N 3.46Å; N114-E116 VanDerWaalsContact O-N 3.08Å; N114-N117 PolarHBondContact N-OD1 2.79Å; N114-N117 PolarHBondContact O-N 3.21Å; N114-N117 PolarHBondContact O-OD1 3.03Å; N114-A118 WeakPolarHBondContact O-CB 3.33Å; N114-A118 PolarHBondContact O-N 3.48Å
115P88.1Confident91.4Very high121 Ų12150.4 Ų50.479%0.78628%0.282SS*.Hα-helixtrans-51.3-39.1179.4-28.435.8000113.5N117P115-N117 VanDerWaalsContact C-N 3.33Å; P115-N117 PolarHBondContact O-N 3.31Å
116E86.6Confident91.5Very high137 Ų13757 Ų5764%0.6431%0.306SS*.Hα-helixtrans-67.6-23.7-178.6-64.5-60.1157.600115.6N114 K139N114-E116 PolarHBondContact O-N 3.46Å; N114-E116 VanDerWaalsContact O-N 3.08Å; E116-K139 VanDerWaalsContact O-CE 3.23Å; E116-K139 WeakPolarHBondContact O-CE 3.31Å; E116-K139 IonicContact OE2-NZ 2.77Å
117N90.6Very high91.7Very high17 Ų1754.9 Ų54.99%0.09129%0.29CS..Hα-helixtrans-114.1-4.2-178.9742.9000113.6W112 I113 N114 P115 E119 R121 R136W112-N117 PolarHBondContact O-ND2 3.28Å; I113-N117 WeakPolarHBondContact CA-OD1 3.15Å; N114-N117 PolarHBondContact N-OD1 2.79Å; N114-N117 PolarHBondContact O-N 3.21Å; N114-N117 PolarHBondContact O-OD1 3.03Å; P115-N117 VanDerWaalsContact C-N 3.33Å; P115-N117 PolarHBondContact O-N 3.31Å; N117-E119 VanDerWaalsContact C-N 3.28Å; N117-E119 PolarHBondContact O-N 2.81Å; N117-R121 WeakPolarHBondContact O-CD 3.47Å; N117-R121 PolarHBondContact O-NE 2.9Å; N117-R136 PolarHBondContact ND2-O 3.44Å
118A91.8Very high92Very high3 Ų351.3 Ų51.33%0.02527%0.269CS..Hα-helixtrans-70.4-23.4-17700000113.4E99 L102 I113 N114 N120 R121E99-A118 HydrophobicContact CB-CB 4.48Å; E99-A118 HydrophobicContact CG-CB 4.11Å; L102-A118 HydrophobicContact CD1-CB 3.75Å; I113-A118 HydrophobicContact CD1-CB 4.31Å; I113-A118 HydrophobicContact CG1-CB 4.21Å; N114-A118 WeakPolarHBondContact O-CB 3.33Å; N114-A118 PolarHBondContact O-N 3.48Å; A118-N120 PolarHBondContact O-N 3.41Å; A118-R121 VanDerWaalsContact O-CB 3.28Å; A118-R121 WeakPolarHBondContact O-CB 3.27Å; A118-R121 PolarHBondContact O-N 3.27Å
119E92.2Very high92.3Very high103 Ų10347.4 Ų47.448%0.48125%0.25SS..THydrogen-bonded Turntrans-53.4132.8-179.2-164.3-167.8160.300112.3N117 R121N117-E119 VanDerWaalsContact C-N 3.28Å; N117-E119 PolarHBondContact O-N 2.81Å; E119-R121 PolarHBondContact O-N 3.47Å
120N93.7Very high92.5Very high19 Ų1945.5 Ų45.510%0.10224%0.241CC..THydrogen-bonded Turntrans59.618.7-177.2-56-56000114.5A118 W123 I140 A145A118-N120 PolarHBondContact O-N 3.41Å; N120-W123 HydrophobicContact CB-CZ2 4.48Å; N120-W123 PolarHBondContact O-NE1 2.94Å; N120-I140 PolarHBondContact ND2-O 3.24Å; N120-I140 VanDerWaalsContact ND2-O 3.1Å; N120-A145 WeakPolarHBondContact O-CB 3.38Å
121R94.2Very high92.9Very high0 Ų044 Ų440%023%0.23CC..THydrogen-bonded Turntrans-106.7-24176.7-60.9-173.6177.7-98-2.5114.6N117 A118 E119 W123 I131 L132 K134 D135 L138 I140N117-R121 WeakPolarHBondContact O-CD 3.47Å; N117-R121 PolarHBondContact O-NE 2.9Å; A118-R121 VanDerWaalsContact O-CB 3.28Å; A118-R121 WeakPolarHBondContact O-CB 3.27Å; A118-R121 PolarHBondContact O-N 3.27Å; E119-R121 PolarHBondContact O-N 3.47Å; R121-W123 VanDerWaalsContact C-CD1 3.43Å; R121-I131 HydrophobicContact CB-CG2 4.49Å; R121-I131 CarbonylContact O-C 3.58Å; R121-I131 VanDerWaalsContact O-CA 3.29Å; R121-I131 WeakPolarHBondContact O-CA 3.43Å; R121-L132 HydrophobicContact CB-CB 4.28Å; R121-L132 HydrophobicContact CG-CB 4.49Å; R121-L132 PolarHBondContact NH1-O 2.86Å; R121-L132 PolarHBondContact O-N 2.78Å; R121-K134 PolarHBondContact NH1-O 3.15Å; R121-K134 PolarHBondContact NH2-O 3.09Å; R121-D135 PolarHBondContact NH2-O 3.06Å; R121-L138 PolarHBondContact NH2-O 2.91Å; R121-I140 HydrophobicContact CG-CD1 4.32Å; R121-I140 VanDerWaalsContact NH1-CD1 3.33Å
122V95Very high93.1Very high3 Ų338 Ų382%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-100.3119-172.8-173.40000109.5E99 L102 L129E99-V122 HydrophobicContact CB-CG2 4.47Å; E99-V122 HydrophobicContact CG-CG2 4.38Å; E99-V122 WeakPolarHBondContact OE2-CB 3.47Å; L102-V122 HydrophobicContact CD1-CG2 3.88Å; L102-V122 HydrophobicContact CD2-CG2 3.84Å; L102-V122 HydrophobicContact CG-CG2 3.96Å; V122-L129 HydrophobicContact CG1-CD1 3.63Å; V122-L129 HydrophobicContact CG1-CG 4.37Å
123W96.7Very high93Very high1 Ų137.1 Ų37.10%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-144.7138.9-174.3-6086.9000111.3I10 I90 I91 Q92 N120 R121 C130 L142 A145 F149I10-W123 HydrophobicContact CD1-CH2 3.88Å; I10-W123 HydrophobicContact CD1-CZ3 3.94Å; I90-W123 HydrophobicContact CB-CE3 4.05Å; I90-W123 HydrophobicContact CD1-CD2 4.25Å; I90-W123 HydrophobicContact CD1-CE3 3.76Å; I90-W123 HydrophobicContact CD1-CH2 4.4Å; I90-W123 HydrophobicContact CD1-CZ3 3.83Å; I90-W123 HydrophobicContact CG1-CE3 3.96Å; I90-W123 HydrophobicContact CG1-CZ3 4.11Å; I91-W123 CarbonylContact O-C 3.53Å; I91-W123 WeakPolarHBondContact O-CA 3.18Å; Q92-W123 HydrophobicContact CB-CD2 4.48Å; Q92-W123 HydrophobicContact CB-CE3 3.86Å; Q92-W123 HydrophobicContact CB-CH2 4.06Å; Q92-W123 HydrophobicContact CB-CZ3 3.64Å; N120-W123 HydrophobicContact CB-CZ2 4.48Å; N120-W123 PolarHBondContact O-NE1 2.94Å; R121-W123 VanDerWaalsContact C-CD1 3.43Å; W123-C130 PolarHBondContact N-O 2.7Å; W123-C130 PolarHBondContact O-N 3.16Å; W123-L142 HydrophobicContact CH2-CD1 3.68Å; W123-L142 HydrophobicContact CZ2-CD1 3.99Å; W123-A145 HydrophobicContact CZ2-CB 4.23Å; W123-F149 HydrophobicContact CB-CE2 4.03Å; W123-F149 HydrophobicContact CB-CZ 3.65Å; W123-F149 AromaticContact CD1-CE2 3.57Å; W123-F149 AromaticContact CD1-CZ 3.91Å; W123-F149 HydrophobicContact CD2-CE2 4.16Å; W123-F149 AromaticContact CG-CE2 3.64Å; W123-F149 HydrophobicContact CG-CE2 3.64Å; W123-F149 AromaticContact CG-CZ 3.79Å; W123-F149 HydrophobicContact CG-CZ 3.79Å
124F96.8Very high92.6Very high4 Ų440.7 Ų40.72%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-79.3130.4159.1-77.2-77.9000110V76 I90 I91 V93 L101 E128 L129 I167V76-F124 HydrophobicContact CG1-CE2 3.94Å; V76-F124 HydrophobicContact CG1-CZ 3.7Å; I90-F124 WeakPolarHBondContact CA-O 3.48Å; I91-F124 HydrophobicContact CB-CB 4.16Å; I91-F124 PolarHBondContact N-O 3.39Å; I91-F124 PolarHBondContact O-N 2.94Å; V93-F124 HydrophobicContact CG2-CD2 4.14Å; V93-F124 HydrophobicContact CG2-CE2 4.29Å; L101-F124 HydrophobicContact CD1-CD2 4.44Å; L101-F124 HydrophobicContact CD1-CE2 3.6Å; L101-F124 HydrophobicContact CD1-CZ 4.16Å; F124-E128 WeakPolarHBondContact CA-O 3.19Å; F124-L129 HydrophobicContact CD1-CB 4.46Å; F124-L129 HydrophobicContact CD1-CD1 4.5Å; F124-L129 HydrophobicContact CD2-CD1 4.38Å; F124-L129 HydrophobicContact CE1-CB 4.18Å; F124-L129 HydrophobicContact CE1-CD1 4.35Å; F124-L129 HydrophobicContact CE2-CD1 4.23Å; F124-L129 HydrophobicContact CZ-CD1 4.21Å; F124-I167 HydrophobicContact CE1-CG2 4.3Å; F124-I167 HydrophobicContact CZ-CG2 4.14Å
125Y96.4Very high92.2Very high8 Ų840.1 Ų40.13%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-144.4125.9175-177.1-123.9000109.6L12 P87 I90 G127 E128 F149 F152L12-Y125 HydrophobicContact CD1-CE2 3.97Å; P87-Y125 VanDerWaalsContact O-CE2 3.26Å; P87-Y125 WeakPolarHBondContact O-CE2 3.39Å; P87-Y125 PolarHBondContact O-OH 3.35Å; I90-Y125 HydrophobicContact CG2-CD2 3.44Å; I90-Y125 VanDerWaalsContact CG2-CD2 3.44Å; I90-Y125 HydrophobicContact CG2-CE2 4.03Å; I90-Y125 HydrophobicContact CG2-CG 4.09Å; Y125-G127 PolarHBondContact O-N 3.4Å; Y125-E128 PolarHBondContact N-O 2.86Å; Y125-E128 PolarHBondContact O-N 2.88Å; Y125-F149 HydrophobicContact CD1-CD1 4.17Å; Y125-F149 HydrophobicContact CD1-CE1 4.09Å; Y125-F149 HydrophobicContact CD2-CD1 4.4Å; Y125-F149 HydrophobicContact CE1-CD1 4.49Å; Y125-F149 HydrophobicContact CG-CD1 4.11Å; Y125-F149 AromaticContact CG-CE1 3.92Å; Y125-F149 HydrophobicContact CG-CE1 3.92Å; Y125-F152 HydrophobicContact CD1-CD2 4.12Å; Y125-F152 AromaticContact CD1-CE2 3.67Å; Y125-F152 HydrophobicContact CD1-CE2 3.67Å; Y125-F152 HydrophobicContact CD1-CZ 4.23Å; Y125-F152 AromaticContact CE1-CD2 3.67Å; Y125-F152 HydrophobicContact CE1-CD2 3.67Å; Y125-F152 AromaticContact CE1-CE2 3.6Å; Y125-F152 HydrophobicContact CE1-CE2 3.6Å; Y125-F152 HydrophobicContact CE1-CG 4.22Å; Y125-F152 HydrophobicContact CE1-CZ 4.09Å
126R94.5Very high91.8Very high138 Ų13840.8 Ų40.852%0.52119%0.187SC..THydrogen-bonded Turntrans52.935.8179.6-60.2180177.31750.6114.1S83 P87 E128S83-R126 VanDerWaalsContact O-CA 3.28Å; S83-R126 WeakPolarHBondContact O-CA 3.5Å; S83-R126 PolarHBondContact O-N 3.38Å; P87-R126 HydrophobicContact CB-CG 4.18Å; R126-E128 VanDerWaalsContact C-N 3.34Å
127G93.6Very high91.3Very high13 Ų1343.8 Ų43.813%0.13420%0.198CC..THydrogen-bonded Turntrans83.60.9-179.700000115.8S83 K84 Y125S83-G127 VanDerWaalsContact OG-CA 3.28Å; S83-G127 WeakPolarHBondContact OG-CA 3.27Å; S83-G127 PolarHBondContact OG-N 3.35Å; K84-G127 VanDerWaalsContact CG-CA 3.41Å; Y125-G127 PolarHBondContact O-N 3.4Å
128E94.5Very high90.8Very high81 Ų8148.4 Ų48.438%0.37922%0.222SC..EExtended strand (participates in β ladder)trans-116.5142.1-178.6-62.9-175.6148.900111.3F124 Y125 R126 C130 T159F124-E128 WeakPolarHBondContact CA-O 3.19Å; Y125-E128 PolarHBondContact N-O 2.86Å; Y125-E128 PolarHBondContact O-N 2.88Å; R126-E128 VanDerWaalsContact C-N 3.34Å; E128-C130 PolarHBondContact O-N 2.84Å; E128-T159 HydrophobicContact CB-CG2 3.85Å; E128-T159 HydrophobicContact CG-CG2 4.4Å; E128-T159 VanDerWaalsContact OE2-CG2 3.29Å; E128-T159 WeakPolarHBondContact OE2-CG2 3.29Å
129L95.7Very high90.6Very high0 Ų054.4 Ų54.40%025%0.248CC..EExtended strand (participates in β ladder)trans-76.7116.2170.5-173.867.3000109.6L101 V122 F124 I163 Q164 I167L101-L129 HydrophobicContact CB-CD2 4.32Å; L101-L129 HydrophobicContact CD1-CD1 3.94Å; V122-L129 HydrophobicContact CG1-CD1 3.63Å; V122-L129 HydrophobicContact CG1-CG 4.37Å; F124-L129 HydrophobicContact CD1-CB 4.46Å; F124-L129 HydrophobicContact CD1-CD1 4.5Å; F124-L129 HydrophobicContact CD2-CD1 4.38Å; F124-L129 HydrophobicContact CE1-CB 4.18Å; F124-L129 HydrophobicContact CE1-CD1 4.35Å; F124-L129 HydrophobicContact CE2-CD1 4.23Å; F124-L129 HydrophobicContact CZ-CD1 4.21Å; L129-I163 HydrophobicContact CB-CG2 4.44Å; L129-I163 HydrophobicContact CD2-CG2 3.91Å; L129-I163 HydrophobicContact CG-CG2 4.46Å; L129-Q164 PolarHBondContact O-NE2 3.19Å; L129-I167 HydrophobicContact CD2-CD1 4.07Å; L129-I167 HydrophobicContact CD2-CG1 3.78Å
130C94.6Very high90.4Very high2 Ų249.9 Ų49.91%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-112.5131.5-176.9-65.10000110.4W123 E128 F149 F157W123-C130 PolarHBondContact N-O 2.7Å; W123-C130 PolarHBondContact O-N 3.16Å; E128-C130 PolarHBondContact O-N 2.84Å; C130-F149 HydrophobicContact CB-CZ 4.48Å; C130-F157 HydrophobicContact CB-CD1 4.21Å
131I94.3Very high90.3Very high0 Ų052.5 Ų52.50%024%0.244CC..EExtended strand (participates in β ladder)trans-111.1116.9175.3-57.7174.7000109.9L102 L109 W112 I113 R121 C133 F157 L158 I163L102-I131 HydrophobicContact CD2-CD1 3.69Å; L102-I131 HydrophobicContact CD2-CG1 4.43Å; L109-I131 HydrophobicContact CD2-CD1 3.84Å; W112-I131 HydrophobicContact CH2-CG2 4.03Å; W112-I131 HydrophobicContact CZ2-CG2 4.4Å; I113-I131 HydrophobicContact CD1-CG2 3.68Å; R121-I131 HydrophobicContact CB-CG2 4.49Å; R121-I131 CarbonylContact O-C 3.58Å; R121-I131 VanDerWaalsContact O-CA 3.29Å; R121-I131 WeakPolarHBondContact O-CA 3.43Å; I131-C133 PolarHBondContact O-N 3.27Å; I131-F157 WeakPolarHBondContact O-CA 3.29Å; I131-L158 HydrophobicContact CB-CB 4.2Å; I131-L158 HydrophobicContact CD1-CD2 4.42Å; I131-L158 PolarHBondContact N-O 2.7Å; I131-L158 VanDerWaalsContact N-O 3.1Å; I131-L158 PolarHBondContact O-N 2.96Å; I131-I163 HydrophobicContact CD1-CD1 4.03Å
132L93.5Very high90.2Very high0 Ų055 Ų550%026%0.257CS..EExtended strand (participates in β ladder)trans-68.3118.8-179.2-178.561.6000111.8R121 K134 I140 A145 A148 F157R121-L132 HydrophobicContact CB-CB 4.28Å; R121-L132 HydrophobicContact CG-CB 4.49Å; R121-L132 PolarHBondContact NH1-O 2.86Å; R121-L132 PolarHBondContact O-N 2.78Å; L132-K134 HydrophobicContact CD1-CB 4.03Å; L132-K134 HydrophobicContact CG-CB 4.19Å; L132-I140 HydrophobicContact CD2-CD1 3.59Å; L132-I140 HydrophobicContact CD2-CG2 4.1Å; L132-I140 HydrophobicContact CG-CD1 4.02Å; L132-A145 HydrophobicContact CD2-CB 4.13Å; L132-A148 HydrophobicContact CD1-CB 3.69Å; L132-A148 HydrophobicContact CD2-CB 4.28Å; L132-F157 HydrophobicContact CB-CD1 4.35Å; L132-F157 HydrophobicContact CB-CE1 4.25Å; L132-F157 HydrophobicContact CD1-CD1 4.09Å; L132-F157 HydrophobicContact CD1-CE1 3.63Å; L132-F157 HydrophobicContact CD1-CZ 4Å; L132-F157 HydrophobicContact CG-CE1 4.49Å
133C90.4Very high89.9Confident23 Ų2359.9 Ų59.916%0.15528%0.283CS..  trans-96.30.2-175.4-71.10000114.8W112 I131 R136 A156 L158W112-C133 HydrophobicContact CZ2-CB 4.38Å; I131-C133 PolarHBondContact O-N 3.27Å; C133-R136 WeakPolarHBondContact O-CG 3.29Å; C133-A156 WeakPolarHBondContact CB-O 3.34Å; C133-A156 PolarHBondContact N-O 3.42Å; C133-L158 VanDerWaalsContact SG-CB 3.56Å
134K82.4Confident89.7Confident88 Ų8862.5 Ų62.538%0.38330%0.297SS..THydrogen-bonded Turntrans-63.9146.4176.9-168.9178.7174.7-178.40110.7R121 L132 R136 I140R121-K134 PolarHBondContact NH1-O 3.15Å; R121-K134 PolarHBondContact NH2-O 3.09Å; L132-K134 HydrophobicContact CD1-CB 4.03Å; L132-K134 HydrophobicContact CG-CB 4.19Å; K134-R136 VanDerWaalsContact C-N 3.35Å; K134-R136 PolarHBondContact O-N 3.09Å; K134-R136 VanDerWaalsContact O-N 3.1Å; K134-I140 HydrophobicContact CB-CD1 4.49Å; K134-I140 WeakPolarHBondContact O-CD1 3.41Å
135D80.1Confident89.4Confident81 Ų8162.3 Ų62.343%0.43330%0.296SS..THydrogen-bonded Turntrans4450.9171.1-58.2-36.8000115R121 K137 L138R121-D135 PolarHBondContact NH2-O 3.06Å; D135-K137 PolarHBondContact O-N 3.01Å; D135-L138 HydrophobicContact CB-CB 4.4Å; D135-L138 HydrophobicContact CB-CD1 4.49Å; D135-L138 PolarHBondContact O-N 3.4Å
136R80.4Confident89.2Confident135 Ų13562.6 Ų62.651%0.50930%0.298SS..THydrogen-bonded Turntrans-50.9-25.7-167.5-60178.8-174.9179.7-0.6116.4W112 N117 C133 K134W112-R136 HydrophobicContact CD2-CB 4.03Å; W112-R136 HydrophobicContact CD2-CG 3.94Å; W112-R136 HydrophobicContact CE3-CB 3.83Å; W112-R136 HydrophobicContact CE3-CG 4.06Å; W112-R136 HydrophobicContact CG-CB 4.35Å; W112-R136 HydrophobicContact CG-CG 4.34Å; W112-R136 HydrophobicContact CZ3-CB 4.48Å; W112-R136 HydrophobicContact CZ3-CG 4.5Å; N117-R136 PolarHBondContact ND2-O 3.44Å; C133-R136 WeakPolarHBondContact O-CG 3.29Å; K134-R136 VanDerWaalsContact C-N 3.35Å; K134-R136 PolarHBondContact O-N 3.09Å; K134-R136 VanDerWaalsContact O-N 3.1Å
137K75.7Confident89.1Confident200 Ų20060.8 Ų60.887%0.8730%0.296SS*.THydrogen-bonded Turntrans-92.8-10.5-177.8-64.7-173.6178.6-176.60113.8D135D135-K137 PolarHBondContact O-N 3.01Å
138L81.2Confident89Confident114 Ų11460.8 Ų60.860%0.59729%0.294SS*.SBendtrans-109.7148.9-173.9-60177.1000110.5R121 D135R121-L138 PolarHBondContact NH2-O 2.91Å; D135-L138 HydrophobicContact CB-CB 4.4Å; D135-L138 HydrophobicContact CB-CD1 4.49Å; D135-L138 PolarHBondContact O-N 3.4Å
139K85.8Confident89Confident130 Ų13057 Ų5757%0.56528%0.277SS*.PPolyproline II helixtrans-65.1132.4165.6-65.7-165.2178.9-155.80108.4E116E116-K139 VanDerWaalsContact O-CE 3.23Å; E116-K139 WeakPolarHBondContact O-CE 3.31Å; E116-K139 IonicContact OE2-NZ 2.77Å
140I89.9Confident88.8Confident7 Ų763.4 Ų63.44%0.03630%0.301CS..PPolyproline II helixtrans-95.4132.8179.3-71.4-176.2000108.5N120 R121 L132 K134 N144 A145N120-I140 PolarHBondContact ND2-O 3.24Å; N120-I140 VanDerWaalsContact ND2-O 3.1Å; R121-I140 HydrophobicContact CG-CD1 4.32Å; R121-I140 VanDerWaalsContact NH1-CD1 3.33Å; L132-I140 HydrophobicContact CD2-CD1 3.59Å; L132-I140 HydrophobicContact CD2-CG2 4.1Å; L132-I140 HydrophobicContact CG-CD1 4.02Å; K134-I140 HydrophobicContact CB-CD1 4.49Å; K134-I140 WeakPolarHBondContact O-CD1 3.41Å; I140-N144 HydrophobicContact CG2-CB 3.84Å; I140-A145 HydrophobicContact CG2-CB 4.18Å
141T91.1Very high88.6Confident74 Ų7469.6 Ų69.645%0.45433%0.334SS..PPolyproline II helixtrans-77.7153.3171.963.90000110.2N143 N144 A145T141-N143 PolarHBondContact O-N 3.12Å; T141-N144 WeakPolarHBondContact O-CB 3.44Å; T141-N144 PolarHBondContact O-N 2.87Å; T141-N144 PolarHBondContact OG1-N 3.07Å; T141-N144 PolarHBondContact OG1-ND2 3.21Å; T141-N144 PolarHBondContact OG1-OD1 2.92Å; T141-A145 PolarHBondContact O-N 2.85Å; T141-A145 VanDerWaalsContact O-N 3.16Å
142L90.8Very high88.3Confident52 Ų5273.1 Ų73.127%0.27235%0.349SS..Hα-helixtrans-51.2-44.8175.5-179.259.1000112.1I10 I52 W123 N144 A145 L146I10-L142 HydrophobicContact CD1-CD1 3.85Å; I10-L142 HydrophobicContact CD1-CD2 4.46Å; I52-L142 HydrophobicContact CD1-CD2 3.85Å; W123-L142 HydrophobicContact CH2-CD1 3.68Å; W123-L142 HydrophobicContact CZ2-CD1 3.99Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 2.71Å; L142-A145 WeakPolarHBondContact O-CB 3.1Å; L142-A145 PolarHBondContact O-N 3.48Å; L142-A145 VanDerWaalsContact O-N 3.12Å; L142-L146 HydrophobicContact CD1-CD2 4.48Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.26Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 2.94Å
143N90.4Very high88.2Confident107 Ų10777.7 Ų77.757%0.57237%0.374SS*.Hα-helixtrans-59.3-41.9178.7-69.7-18.4000112.8T141 A145 L146 E147T141-N143 PolarHBondContact O-N 3.12Å; N143-A145 VanDerWaalsContact C-N 3.3Å; N143-A145 PolarHBondContact O-N 3.1Å; N143-L146 PolarHBondContact O-N 2.91Å; N143-E147 WeakPolarHBondContact O-CG 3.08Å; N143-E147 PolarHBondContact O-N 3.31Å
144N90.7Very high88.1Confident56 Ų5683 Ų8330%0.29939%0.394SS..Hα-helixtrans-64.5-36.5177.6-71.50000111.7I140 T141 L142 A148I140-N144 HydrophobicContact CG2-CB 3.84Å; T141-N144 WeakPolarHBondContact O-CB 3.44Å; T141-N144 PolarHBondContact O-N 2.87Å; T141-N144 PolarHBondContact OG1-N 3.07Å; T141-N144 PolarHBondContact OG1-ND2 3.21Å; T141-N144 PolarHBondContact OG1-OD1 2.92Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 2.71Å; N144-A148 PolarHBondContact O-N 3.44Å
145A92.2Very high88.3Confident0 Ų083 Ų830%041%0.41CS..Hα-helixtrans-66.6-46.4174.300000111.1N120 W123 L132 I140 T141 L142 N143 E147 A148 F149N120-A145 WeakPolarHBondContact O-CB 3.38Å; W123-A145 HydrophobicContact CZ2-CB 4.23Å; L132-A145 HydrophobicContact CD2-CB 4.13Å; I140-A145 HydrophobicContact CG2-CB 4.18Å; T141-A145 PolarHBondContact O-N 2.85Å; T141-A145 VanDerWaalsContact O-N 3.16Å; L142-A145 WeakPolarHBondContact O-CB 3.1Å; L142-A145 PolarHBondContact O-N 3.48Å; L142-A145 VanDerWaalsContact O-N 3.12Å; N143-A145 VanDerWaalsContact C-N 3.3Å; N143-A145 PolarHBondContact O-N 3.1Å; A145-E147 VanDerWaalsContact C-N 3.34Å; A145-E147 PolarHBondContact O-N 3.31Å; A145-A148 WeakPolarHBondContact O-CB 3.49Å; A145-A148 PolarHBondContact O-N 3.3Å; A145-A148 VanDerWaalsContact O-N 3.11Å; A145-F149 VanDerWaalsContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CD2 3.39Å; A145-F149 PolarHBondContact O-N 2.84Å; A145-F149 VanDerWaalsContact O-N 3.12Å
146L92Very high88.8Confident13 Ų1380.5 Ų80.57%0.06840%0.401CS..Hα-helixtrans-60.2-41.7177.5-63.3-179000112.5I10 I52 I90 L142 N143 A148 F149 R150I10-L146 HydrophobicContact CB-CD2 4.41Å; I10-L146 HydrophobicContact CD1-CD2 4.35Å; I10-L146 HydrophobicContact CG2-CD1 4.44Å; I10-L146 HydrophobicContact CG2-CD2 3.68Å; I52-L146 HydrophobicContact CD1-CD1 4.29Å; I90-L146 HydrophobicContact CD1-CD2 3.53Å; L142-L146 HydrophobicContact CD1-CD2 4.48Å; L142-L146 HydrophobicContact CD1-CG 4.33Å; L142-L146 HydrophobicContact CG-CD1 4.26Å; L142-L146 HydrophobicContact CG-CG 4.4Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 2.94Å; N143-L146 PolarHBondContact O-N 2.91Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.4Å; L146-F149 PolarHBondContact O-N 3.41Å; L146-R150 WeakPolarHBondContact O-CG 3.2Å; L146-R150 PolarHBondContact O-N 3.42Å
147E91.4Very high89.3Confident100 Ų10074.7 Ų74.747%0.46738%0.379SS..Hα-helixtrans-62.1-38.3174.7-75.9-179.5-177.200112.6N143 A145 F149 R150 N151N143-E147 WeakPolarHBondContact O-CG 3.08Å; N143-E147 PolarHBondContact O-N 3.31Å; A145-E147 VanDerWaalsContact C-N 3.34Å; A145-E147 PolarHBondContact O-N 3.31Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.05Å; E147-R150 PolarHBondContact O-N 3.06Å; E147-N151 PolarHBondContact O-N 3.18Å
148A92.4Very high90Very high13 Ų1367.2 Ų67.211%0.10735%0.349CS..Hα-helixtrans-65.3-36.3176.900000112.2L132 N144 A145 L146 N151 F152 F157L132-A148 HydrophobicContact CD1-CB 3.69Å; L132-A148 HydrophobicContact CD2-CB 4.28Å; N144-A148 PolarHBondContact O-N 3.44Å; A145-A148 WeakPolarHBondContact O-CB 3.49Å; A145-A148 PolarHBondContact O-N 3.3Å; A145-A148 VanDerWaalsContact O-N 3.11Å; L146-A148 VanDerWaalsContact C-N 3.32Å; L146-A148 PolarHBondContact O-N 3.4Å; A148-N151 CarbonylContact O-C 3.59Å; A148-N151 VanDerWaalsContact O-C 3.27Å; A148-F152 WeakPolarHBondContact O-CA 3.41Å; A148-F152 PolarHBondContact O-N 3.3Å; A148-F157 HydrophobicContact CB-CZ 4.02Å
149F93.3Very high90.4Very high2 Ų262.9 Ų62.91%0.00933%0.327CS..Hα-helixtrans-77.5-32.1174.7-77.6-78.8000113.6L12 I90 W123 Y125 C130 A145 L146 E147 N151 F152 F157L12-F149 HydrophobicContact CD2-CB 3.45Å; L12-F149 VanDerWaalsContact CD2-CB 3.45Å; L12-F149 HydrophobicContact CD2-CG 4.42Å; I90-F149 HydrophobicContact CD1-CD2 3.81Å; I90-F149 HydrophobicContact CD1-CE2 4.27Å; I90-F149 HydrophobicContact CD1-CG 4.24Å; I90-F149 HydrophobicContact CG2-CB 4.31Å; I90-F149 HydrophobicContact CG2-CD1 3.65Å; I90-F149 HydrophobicContact CG2-CD2 4.24Å; I90-F149 HydrophobicContact CG2-CE1 3.96Å; I90-F149 HydrophobicContact CG2-CG 3.83Å; I90-F149 HydrophobicContact CG2-CZ 4.39Å; W123-F149 HydrophobicContact CB-CE2 4.03Å; W123-F149 HydrophobicContact CB-CZ 3.65Å; W123-F149 AromaticContact CD1-CE2 3.57Å; W123-F149 AromaticContact CD1-CZ 3.91Å; W123-F149 HydrophobicContact CD2-CE2 4.16Å; W123-F149 AromaticContact CG-CE2 3.64Å; W123-F149 HydrophobicContact CG-CE2 3.64Å; W123-F149 AromaticContact CG-CZ 3.79Å; W123-F149 HydrophobicContact CG-CZ 3.79Å; Y125-F149 HydrophobicContact CD1-CD1 4.17Å; Y125-F149 HydrophobicContact CD1-CE1 4.09Å; Y125-F149 HydrophobicContact CD2-CD1 4.4Å; Y125-F149 HydrophobicContact CE1-CD1 4.49Å; Y125-F149 HydrophobicContact CG-CD1 4.11Å; Y125-F149 AromaticContact CG-CE1 3.92Å; Y125-F149 HydrophobicContact CG-CE1 3.92Å; C130-F149 HydrophobicContact CB-CZ 4.48Å; A145-F149 VanDerWaalsContact O-CD2 3.3Å; A145-F149 WeakPolarHBondContact O-CD2 3.39Å; A145-F149 PolarHBondContact O-N 2.84Å; A145-F149 VanDerWaalsContact O-N 3.12Å; L146-F149 PolarHBondContact O-N 3.41Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.05Å; F149-N151 VanDerWaalsContact C-N 3.34Å; F149-F152 HydrophobicContact CD1-CD2 4.2Å; F149-F152 WeakPolarHBondContact O-CB 3.43Å; F149-F152 PolarHBondContact O-N 3.2Å; F149-F157 HydrophobicContact CD1-CE1 4.08Å; F149-F157 AromaticContact CD1-CZ 3.88Å; F149-F157 HydrophobicContact CD1-CZ 3.88Å; F149-F157 HydrophobicContact CD2-CE1 4.15Å; F149-F157 HydrophobicContact CD2-CZ 4.21Å; F149-F157 HydrophobicContact CE1-CD1 4.27Å; F149-F157 AromaticContact CE1-CE1 3.61Å; F149-F157 HydrophobicContact CE1-CE1 3.61Å; F149-F157 AromaticContact CE1-CZ 3.87Å; F149-F157 HydrophobicContact CE1-CZ 3.87Å; F149-F157 AromaticContact CE2-CE1 3.67Å; F149-F157 HydrophobicContact CE2-CE1 3.67Å; F149-F157 HydrophobicContact CE2-CZ 4.19Å; F149-F157 HydrophobicContact CG-CE1 4.32Å; F149-F157 HydrophobicContact CG-CZ 4.04Å; F149-F157 HydrophobicContact CZ-CD1 4.06Å; F149-F157 AromaticContact CZ-CE1 3.36Å; F149-F157 HydrophobicContact CZ-CE1 3.36Å; F149-F157 HydrophobicContact CZ-CZ 4.01Å
150R91.4Very high90.6Very high134 Ų13458.3 Ų58.351%0.50631%0.312SS..Hα-helixtrans-64.4-41.4172.5-74.8172.8177.6168.93.1111.5L12 L146 E147 F152L12-R150 PolarHBondContact O-NE 2.68Å; L12-R150 PolarHBondContact O-NH2 2.89Å; L146-R150 WeakPolarHBondContact O-CG 3.2Å; L146-R150 PolarHBondContact O-N 3.42Å; E147-R150 PolarHBondContact O-N 3.06Å; R150-F152 PolarHBondContact O-N 3.09Å
151N91.1Very high90.7Very high133 Ų13364.2 Ų64.271%0.71134%0.343SS*.THydrogen-bonded Turntrans-99.854.5174.4-63.3-33.4000110.4E147 A148 F149 D153E147-N151 PolarHBondContact O-N 3.18Å; A148-N151 CarbonylContact O-C 3.59Å; A148-N151 VanDerWaalsContact O-C 3.27Å; F149-N151 VanDerWaalsContact C-N 3.34Å; N151-D153 PolarHBondContact O-N 3.47Å
152F89.1Confident90.8Very high74 Ų7465.1 Ų65.133%0.32535%0.345SS..  trans-58.1109.6-171.4-173.7-95.8000112.2Y125 A148 F149 R150 K154 F157Y125-F152 HydrophobicContact CD1-CD2 4.12Å; Y125-F152 AromaticContact CD1-CE2 3.67Å; Y125-F152 HydrophobicContact CD1-CE2 3.67Å; Y125-F152 HydrophobicContact CD1-CZ 4.23Å; Y125-F152 AromaticContact CE1-CD2 3.67Å; Y125-F152 HydrophobicContact CE1-CD2 3.67Å; Y125-F152 AromaticContact CE1-CE2 3.6Å; Y125-F152 HydrophobicContact CE1-CE2 3.6Å; Y125-F152 HydrophobicContact CE1-CG 4.22Å; Y125-F152 HydrophobicContact CE1-CZ 4.09Å; A148-F152 WeakPolarHBondContact O-CA 3.41Å; A148-F152 PolarHBondContact O-N 3.3Å; F149-F152 HydrophobicContact CD1-CD2 4.2Å; F149-F152 WeakPolarHBondContact O-CB 3.43Å; F149-F152 PolarHBondContact O-N 3.2Å; R150-F152 PolarHBondContact O-N 3.09Å; F152-K154 HydrophobicContact CE1-CB 4.18Å; F152-F157 HydrophobicContact CD2-CD2 4.01Å; F152-F157 AromaticContact CD2-CE2 3.57Å; F152-F157 HydrophobicContact CD2-CE2 3.57Å; F152-F157 HydrophobicContact CD2-CZ 4.21Å; F152-F157 AromaticContact CE2-CD2 3.66Å; F152-F157 HydrophobicContact CE2-CD2 3.66Å; F152-F157 AromaticContact CE2-CE2 3.7Å; F152-F157 HydrophobicContact CE2-CE2 3.7Å; F152-F157 HydrophobicContact CE2-CG 4.35Å; F152-F157 HydrophobicContact CE2-CZ 4.4Å; F152-F157 HydrophobicContact CG-CE2 4.46Å; F152-F157 HydrophobicContact CZ-CD2 4.32Å
153D90.6Very high90.9Very high95 Ų9562.6 Ų62.651%0.50833%0.332SS..  trans-114117.2166177.28.3000108.5N151 A155 A156 F157N151-D153 PolarHBondContact O-N 3.47Å; D153-A155 PolarHBondContact O-N 3.35Å; D153-A155 VanDerWaalsContact O-N 3.07Å; D153-A155 PolarHBondContact OD1-N 3.34Å; D153-A156 HydrophobicContact CB-CB 4.48Å; D153-A156 WeakPolarHBondContact O-CB 3.45Å; D153-A156 PolarHBondContact O-N 2.94Å; D153-F157 VanDerWaalsContact O-CD2 3.26Å; D153-F157 WeakPolarHBondContact O-CD2 3.29Å
154K87.1Confident91.1Very high136 Ų13658.1 Ų58.159%0.59131%0.308SS*.G310 helixtrans-56.3-28-179.6-171.1170.3-177.8169.50112.1F152 A156 F157F152-K154 HydrophobicContact CE1-CB 4.18Å; K154-A156 PolarHBondContact O-N 2.59Å; K154-F157 PolarHBondContact O-N 2.72Å; K154-F157 VanDerWaalsContact O-O 3.08Å
155A87.8Confident91.3Very high86 Ų8657.8 Ų57.871%0.71131%0.313SS*.G310 helixtrans-69.3-20.5177.100000113.8D153 F157D153-A155 PolarHBondContact O-N 3.35Å; D153-A155 VanDerWaalsContact O-N 3.07Å; D153-A155 PolarHBondContact OD1-N 3.34Å; A155-F157 VanDerWaalsContact C-N 3.3Å
156A89.4Confident91.4Very high30 Ų3059.3 Ų59.325%0.24832%0.323CS..G310 helixtrans-80.5-11177.200000113.2C133 D153 K154C133-A156 WeakPolarHBondContact CB-O 3.34Å; C133-A156 PolarHBondContact N-O 3.42Å; D153-A156 HydrophobicContact CB-CB 4.48Å; D153-A156 WeakPolarHBondContact O-CB 3.45Å; D153-A156 PolarHBondContact O-N 2.94Å; K154-A156 PolarHBondContact O-N 2.59Å
157F92.5Very high91.5Very high12 Ų1259 Ų595%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-117.7140.3-177.1-60.4-86.5000111C130 I131 L132 A148 F149 F152 D153 K154 A155C130-F157 HydrophobicContact CB-CD1 4.21Å; I131-F157 WeakPolarHBondContact O-CA 3.29Å; L132-F157 HydrophobicContact CB-CD1 4.35Å; L132-F157 HydrophobicContact CB-CE1 4.25Å; L132-F157 HydrophobicContact CD1-CD1 4.09Å; L132-F157 HydrophobicContact CD1-CE1 3.63Å; L132-F157 HydrophobicContact CD1-CZ 4Å; L132-F157 HydrophobicContact CG-CE1 4.49Å; A148-F157 HydrophobicContact CB-CZ 4.02Å; F149-F157 HydrophobicContact CD1-CE1 4.08Å; F149-F157 AromaticContact CD1-CZ 3.88Å; F149-F157 HydrophobicContact CD1-CZ 3.88Å; F149-F157 HydrophobicContact CD2-CE1 4.15Å; F149-F157 HydrophobicContact CD2-CZ 4.21Å; F149-F157 HydrophobicContact CE1-CD1 4.27Å; F149-F157 AromaticContact CE1-CE1 3.61Å; F149-F157 HydrophobicContact CE1-CE1 3.61Å; F149-F157 AromaticContact CE1-CZ 3.87Å; F149-F157 HydrophobicContact CE1-CZ 3.87Å; F149-F157 AromaticContact CE2-CE1 3.67Å; F149-F157 HydrophobicContact CE2-CE1 3.67Å; F149-F157 HydrophobicContact CE2-CZ 4.19Å; F149-F157 HydrophobicContact CG-CE1 4.32Å; F149-F157 HydrophobicContact CG-CZ 4.04Å; F149-F157 HydrophobicContact CZ-CD1 4.06Å; F149-F157 AromaticContact CZ-CE1 3.36Å; F149-F157 HydrophobicContact CZ-CE1 3.36Å; F149-F157 HydrophobicContact CZ-CZ 4.01Å; F152-F157 HydrophobicContact CD2-CD2 4.01Å; F152-F157 AromaticContact CD2-CE2 3.57Å; F152-F157 HydrophobicContact CD2-CE2 3.57Å; F152-F157 HydrophobicContact CD2-CZ 4.21Å; F152-F157 AromaticContact CE2-CD2 3.66Å; F152-F157 HydrophobicContact CE2-CD2 3.66Å; F152-F157 AromaticContact CE2-CE2 3.7Å; F152-F157 HydrophobicContact CE2-CE2 3.7Å; F152-F157 HydrophobicContact CE2-CG 4.35Å; F152-F157 HydrophobicContact CE2-CZ 4.4Å; F152-F157 HydrophobicContact CG-CE2 4.46Å; F152-F157 HydrophobicContact CZ-CD2 4.32Å; D153-F157 VanDerWaalsContact O-CD2 3.26Å; D153-F157 WeakPolarHBondContact O-CD2 3.29Å; K154-F157 PolarHBondContact O-N 2.72Å; K154-F157 VanDerWaalsContact O-O 3.08Å; A155-F157 VanDerWaalsContact C-N 3.3Å
158L90.8Very high91.6Very high44 Ų4459.9 Ų59.923%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-88.7110.9167.3173.767.9000108.2P110 I131 C133 I163P110-L158 HydrophobicContact CG-CD2 3.79Å; I131-L158 HydrophobicContact CB-CB 4.2Å; I131-L158 HydrophobicContact CD1-CD2 4.42Å; I131-L158 PolarHBondContact N-O 2.7Å; I131-L158 VanDerWaalsContact N-O 3.1Å; I131-L158 PolarHBondContact O-N 2.96Å; C133-L158 VanDerWaalsContact SG-CB 3.56Å; L158-I163 HydrophobicContact CD2-CD1 3.74Å; L158-I163 HydrophobicContact CG-CD1 3.98Å
159T89.2Confident91.6Very high23 Ų2362.8 Ų62.814%0.14135%0.35CS..  trans-130.960.8177.6-36.50000108.5E128E128-T159 HydrophobicContact CB-CG2 3.85Å; E128-T159 HydrophobicContact CG-CG2 4.4Å; E128-T159 VanDerWaalsContact OE2-CG2 3.29Å; E128-T159 WeakPolarHBondContact OE2-CG2 3.29Å
160S89.8Confident91.6Very high34 Ų3465.9 Ų65.924%0.23836%0.363CS..  trans-75.5141.8-179.564.40000111.3N162 I163 Q164S160-N162 PolarHBondContact O-N 3.24Å; S160-N162 VanDerWaalsContact O-N 3.14Å; S160-I163 PolarHBondContact O-N 3.17Å; S160-I163 WeakPolarHBondContact OG-CB 3.35Å; S160-I163 WeakPolarHBondContact OG-CD1 3.26Å; S160-I163 WeakPolarHBondContact OG-CG1 3.45Å; S160-I163 PolarHBondContact OG-N 2.91Å; S160-Q164 PolarHBondContact O-N 3.18Å; S160-Q164 VanDerWaalsContact O-N 3.15Å
161D92Very high91.7Very high131 Ų13160.2 Ų60.270%0.70134%0.344SS*.Hα-helixtrans-55.5-32.3176.1-59.2-24.5000112.6Q164 A165D161-Q164 PolarHBondContact O-N 2.92Å; D161-A165 VanDerWaalsContact O-CB 3.23Å; D161-A165 WeakPolarHBondContact O-CB 3.25Å; D161-A165 PolarHBondContact O-N 2.89Å
162N92.8Very high91.8Very high92 Ų9262.4 Ų62.449%0.49235%0.347SS..Hα-helixtrans-65.6-41.7177.4-66.1-10.7000112.7Q108 S160 A165 S166Q108-N162 HydrophobicContact CB-CB 4.19Å; Q108-N162 HydrophobicContact CG-CB 3.82Å; Q108-N162 PolarHBondContact OE1-ND2 3.2Å; S160-N162 PolarHBondContact O-N 3.24Å; S160-N162 VanDerWaalsContact O-N 3.14Å; N162-A165 PolarHBondContact O-N 2.88Å; N162-S166 PolarHBondContact O-N 3.43Å; N162-S166 PolarHBondContact O-OG 2.95Å
163I93.2Very high91.9Very high0 Ų062.4 Ų62.40%035%0.347CS..Hα-helixtrans-64.7-44.5175-71.6171.7000109.6C105 Q108 L109 L129 I131 L158 S160 A165 S166 I167C105-I163 HydrophobicContact CB-CG1 4.37Å; Q108-I163 HydrophobicContact CB-CG1 4.07Å; L109-I163 HydrophobicContact CD2-CD1 4.34Å; L129-I163 HydrophobicContact CB-CG2 4.44Å; L129-I163 HydrophobicContact CD2-CG2 3.91Å; L129-I163 HydrophobicContact CG-CG2 4.46Å; I131-I163 HydrophobicContact CD1-CD1 4.03Å; L158-I163 HydrophobicContact CD2-CD1 3.74Å; L158-I163 HydrophobicContact CG-CD1 3.98Å; S160-I163 PolarHBondContact O-N 3.17Å; S160-I163 WeakPolarHBondContact OG-CB 3.35Å; S160-I163 WeakPolarHBondContact OG-CD1 3.26Å; S160-I163 WeakPolarHBondContact OG-CG1 3.45Å; S160-I163 PolarHBondContact OG-N 2.91Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.39Å; I163-S166 PolarHBondContact O-N 3.43Å; I163-I167 PolarHBondContact O-N 3.11Å
164Q95.1Very high92.1Very high12 Ų1258.4 Ų58.46%0.05633%0.325CS..Hα-helixtrans-61.9-43176.6-56.5-44.2-45.700111.2L129 S160 D161 S166 I167 Q168L129-Q164 PolarHBondContact O-NE2 3.19Å; S160-Q164 PolarHBondContact O-N 3.18Å; S160-Q164 VanDerWaalsContact O-N 3.15Å; D161-Q164 PolarHBondContact O-N 2.92Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-S166 PolarHBondContact O-N 3.37Å; Q164-I167 PolarHBondContact O-N 3.18Å; Q164-Q168 VanDerWaalsContact O-CB 3.26Å; Q164-Q168 WeakPolarHBondContact O-CB 3.42Å; Q164-Q168 WeakPolarHBondContact O-CG 3.46Å; Q164-Q168 PolarHBondContact O-N 3.14Å
165A93.9Very high92.1Very high49 Ų4954.2 Ų54.241%0.40531%0.311SS..Hα-helixtrans-62.4-39178.700000112.3D161 N162 I163 Q168 A169D161-A165 VanDerWaalsContact O-CB 3.23Å; D161-A165 WeakPolarHBondContact O-CB 3.25Å; D161-A165 PolarHBondContact O-N 2.89Å; N162-A165 PolarHBondContact O-N 2.88Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.39Å; A165-Q168 PolarHBondContact O-N 3.47Å; A165-A169 VanDerWaalsContact O-CB 3.27Å; A165-A169 WeakPolarHBondContact O-CB 3.39Å; A165-A169 PolarHBondContact O-N 3.23Å
166S93.7Very high92.1Very high32 Ų3256.1 Ų56.122%0.22431%0.31CS..Hα-helixtrans-59.2-48.8174-78.40000111.9E104 N162 I163 Q164 A169 K170E104-S166 PolarHBondContact O-OG 2.91Å; N162-S166 PolarHBondContact O-N 3.43Å; N162-S166 PolarHBondContact O-OG 2.95Å; I163-S166 PolarHBondContact O-N 3.43Å; Q164-S166 VanDerWaalsContact C-N 3.34Å; Q164-S166 PolarHBondContact O-N 3.37Å; S166-A169 PolarHBondContact O-N 3.48Å; S166-K170 PolarHBondContact O-N 3.42Å
167I94.4Very high92Very high8 Ų857 Ų574%0.04131%0.308CS..Hα-helixtrans-69.5-40.4179.4-59.8-57.4000111.5W73 L101 F124 L129 I163 Q164 A169 K170 T171W73-I167 HydrophobicContact CH2-CD1 4.24Å; W73-I167 HydrophobicContact CZ3-CD1 4.34Å; L101-I167 HydrophobicContact CB-CD1 4.39Å; L101-I167 HydrophobicContact CD2-CD1 4.29Å; F124-I167 HydrophobicContact CE1-CG2 4.3Å; F124-I167 HydrophobicContact CZ-CG2 4.14Å; L129-I167 HydrophobicContact CD2-CD1 4.07Å; L129-I167 HydrophobicContact CD2-CG1 3.78Å; I163-I167 PolarHBondContact O-N 3.11Å; Q164-I167 PolarHBondContact O-N 3.18Å; I167-A169 VanDerWaalsContact C-N 3.31Å; I167-A169 PolarHBondContact O-N 3.42Å; I167-K170 PolarHBondContact O-N 2.69Å; I167-T171 PolarHBondContact O-N 3.18Å; I167-T171 VanDerWaalsContact O-N 3.09Å; I167-T171 PolarHBondContact O-OG1 2.84Å
168Q93.6Very high91.6Very high118 Ų11856.6 Ų56.655%0.55131%0.307SS*.Hα-helixtrans-63.3-37.5175.9-74.5173.71.600111.6Q164 A165 K170 T171 K172Q164-Q168 VanDerWaalsContact O-CB 3.26Å; Q164-Q168 WeakPolarHBondContact O-CB 3.42Å; Q164-Q168 WeakPolarHBondContact O-CG 3.46Å; Q164-Q168 PolarHBondContact O-N 3.14Å; A165-Q168 PolarHBondContact O-N 3.47Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 2.92Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.42Å; Q168-T171 CarbonylContact O-C 3.52Å; Q168-T171 PolarHBondContact O-N 2.9Å; Q168-T171 PolarHBondContact O-OG1 3.07Å; Q168-K172 WeakPolarHBondContact O-CA 3.34Å; Q168-K172 VanDerWaalsContact O-CB 3.27Å; Q168-K172 WeakPolarHBondContact O-CB 3.43Å; Q168-K172 PolarHBondContact O-N 3.42Å
169A93.2Very high91Very high74 Ų7461 Ų6161%0.61232%0.324SS*.Hα-helixtrans-60.5-35.6176.800000112.4A165 S166 I167A165-A169 VanDerWaalsContact O-CB 3.27Å; A165-A169 WeakPolarHBondContact O-CB 3.39Å; A165-A169 PolarHBondContact O-N 3.23Å; S166-A169 PolarHBondContact O-N 3.48Å; I167-A169 VanDerWaalsContact C-N 3.31Å; I167-A169 PolarHBondContact O-N 3.42Å
170K92.5Very high90.6Very high66 Ų6662.6 Ų62.629%0.28733%0.333SS..Hα-helixtrans-77.2-32.5177-62.1-72.4-68.4-1460112.8W73 E104 S166 I167 Q168W73-K170 HydrophobicContact CD2-CB 3.79Å; W73-K170 HydrophobicContact CD2-CG 4.47Å; W73-K170 HydrophobicContact CE3-CB 3.49Å; W73-K170 VanDerWaalsContact CE3-CB 3.49Å; W73-K170 HydrophobicContact CE3-CG 4.35Å; W73-K170 HydrophobicContact CH2-CB 3.94Å; W73-K170 HydrophobicContact CH2-CG 3.92Å; W73-K170 HydrophobicContact CZ2-CB 4.22Å; W73-K170 HydrophobicContact CZ2-CD 4.42Å; W73-K170 HydrophobicContact CZ2-CG 4.05Å; W73-K170 HydrophobicContact CZ3-CB 3.56Å; W73-K170 HydrophobicContact CZ3-CG 4.07Å; E104-K170 HydrophobicContact CG-CG 4.34Å; E104-K170 WeakPolarHBondContact OE1-CE 3.22Å; E104-K170 IonicContact OE1-NZ 3.71Å; E104-K170 PolarHBondContact OE1-NZ 2.84Å; E104-K170 IonicContact OE2-NZ 3.35Å; S166-K170 PolarHBondContact O-N 3.42Å; I167-K170 PolarHBondContact O-N 2.69Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 2.92Å
171T93.5Very high90.5Very high16 Ų1662.2 Ų62.210%0.09833%0.331CS..Hα-helixtrans-96.5-7.4-176.255.50000114.5W73 V76 W77 I167 Q168 K173 Y174W73-T171 HydrophobicContact CE3-CG2 3.94Å; W73-T171 HydrophobicContact CZ3-CG2 4.44Å; V76-T171 HydrophobicContact CG1-CG2 4.35Å; W77-T171 HydrophobicContact CB-CG2 3.98Å; I167-T171 PolarHBondContact O-N 3.18Å; I167-T171 VanDerWaalsContact O-N 3.09Å; I167-T171 PolarHBondContact O-OG1 2.84Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.42Å; Q168-T171 CarbonylContact O-C 3.52Å; Q168-T171 PolarHBondContact O-N 2.9Å; Q168-T171 PolarHBondContact O-OG1 3.07Å; T171-K173 PolarHBondContact O-N 2.9Å; T171-Y174 WeakPolarHBondContact O-CD2 3.22Å; T171-Y174 PolarHBondContact O-N 2.88Å
172K93.1Very high90.4Very high179 Ų17956.1 Ų56.178%0.77830%0.298SS*.THydrogen-bonded Turntrans-54.3-29.6-176.1-176.1177178.3-175.60114.6Q168 Y174Q168-K172 WeakPolarHBondContact O-CA 3.34Å; Q168-K172 VanDerWaalsContact O-CB 3.27Å; Q168-K172 WeakPolarHBondContact O-CB 3.43Å; Q168-K172 PolarHBondContact O-N 3.42Å; K172-Y174 VanDerWaalsContact C-N 3.26Å; K172-Y174 PolarHBondContact O-N 2.85Å
173K91.9Very high90.3Very high73 Ų7352.3 Ų52.332%0.31728%0.278SS..THydrogen-bonded Turntrans-73.6-14-17863.6-175.5168.6-172.70113.9E70 T171 D176 F177E70-K173 IonicContact OE1-NZ 3.99Å; E70-K173 PolarHBondContact OE1-NZ 3.26Å; E70-K173 WeakPolarHBondContact OE2-CE 3.49Å; E70-K173 IonicContact OE2-NZ 2.68Å; E70-K173 PolarHBondContact OE2-NZ 3.22Å; T171-K173 PolarHBondContact O-N 2.9Å; K173-D176 PolarHBondContact O-N 2.78Å; K173-F177 HydrophobicContact CB-CB 4.17Å; K173-F177 HydrophobicContact CD-CB 4.4Å; K173-F177 HydrophobicContact CD-CD2 4.33Å; K173-F177 HydrophobicContact CD-CG 4.22Å; K173-F177 HydrophobicContact CG-CB 4.12Å; K173-F177 HydrophobicContact CG-CG 4.48Å; K173-F177 WeakPolarHBondContact O-CB 3.29Å; K173-F177 PolarHBondContact O-N 3.34Å
174Y93.7Very high90.3Very high11 Ų1152.4 Ų52.44%0.04328%0.279CS..THydrogen-bonded Turntrans-95.2145.3178.1-55.6-73.3000110.8E70 W73 F74 W77 T171 K172 F177 V178E70-Y174 PolarHBondContact O-OH 2.75Å; E70-Y174 PolarHBondContact OE2-OH 2.8Å; E70-Y174 VanDerWaalsContact OE2-OH 3.12Å; W73-Y174 HydrophobicContact CB-CE2 4.12Å; F74-Y174 HydrophobicContact CB-CD1 4.32Å; F74-Y174 HydrophobicContact CB-CE1 3.62Å; F74-Y174 HydrophobicContact CB-CE2 4.4Å; F74-Y174 AromaticContact CD2-CD1 3.41Å; F74-Y174 HydrophobicContact CD2-CD1 3.41Å; F74-Y174 VanDerWaalsContact CD2-CD1 3.41Å; F74-Y174 AromaticContact CD2-CE1 3.58Å; F74-Y174 HydrophobicContact CD2-CE1 3.58Å; F74-Y174 HydrophobicContact CD2-CG 4.02Å; F74-Y174 HydrophobicContact CE2-CD1 4.14Å; F74-Y174 HydrophobicContact CG-CD1 4.21Å; F74-Y174 AromaticContact CG-CE1 3.89Å; F74-Y174 HydrophobicContact CG-CE1 3.89Å; F74-Y174 PolarHBondContact N-OH 3.29Å; W77-Y174 HydrophobicContact CB-CD2 3.89Å; W77-Y174 HydrophobicContact CB-CG 4.31Å; W77-Y174 VanDerWaalsContact CD2-CB 3.48Å; W77-Y174 HydrophobicContact CD2-CG 4.27Å; W77-Y174 HydrophobicContact CG-CD2 4.08Å; W77-Y174 HydrophobicContact CG-CG 4.14Å; T171-Y174 WeakPolarHBondContact O-CD2 3.22Å; T171-Y174 PolarHBondContact O-N 2.88Å; K172-Y174 VanDerWaalsContact C-N 3.26Å; K172-Y174 PolarHBondContact O-N 2.85Å; Y174-F177 HydrophobicContact CD1-CB 4.08Å; Y174-F177 HydrophobicContact CE1-CB 4.11Å; Y174-F177 AromaticContact CE1-CD1 3.82Å; Y174-F177 HydrophobicContact CE1-CD1 3.82Å; Y174-F177 HydrophobicContact CE1-CG 4.37Å; Y174-V178 HydrophobicContact CD1-CG2 4.28Å
175P88Confident90.1Very high48 Ų4854.1 Ų54.131%0.31229%0.286SS..THydrogen-bonded Turncis-86.7-1.86.433-34.2000115.4W34 W77 F177 V178W34-P175 HydrophobicContact CG-CB 4.4Å; W34-P175 VanDerWaalsContact NE1-CB 3.3Å; W77-P175 HydrophobicContact CH2-CB 3.72Å; W77-P175 HydrophobicContact CH2-CG 4.34Å; W77-P175 HydrophobicContact CZ2-CB 3.95Å; W77-P175 HydrophobicContact CZ2-CG 4.2Å; W77-P175 HydrophobicContact CZ3-CB 4.43Å; P175-F177 VanDerWaalsContact C-N 3.28Å; P175-F177 PolarHBondContact O-N 3.31Å; P175-V178 HydrophobicContact CB-CG2 4.47Å; P175-V178 WeakPolarHBondContact O-CB 3.39Å; P175-V178 WeakPolarHBondContact O-CG2 3.31Å; P175-V178 PolarHBondContact O-N 2.98Å
176D87.8Confident89.9Confident126 Ų12651.8 Ų51.867%0.67427%0.267SS*.G310 helixtrans-60.5-36-172.1-65.9-34000113.5K173 V178 K179K173-D176 PolarHBondContact O-N 2.78Å; D176-V178 PolarHBondContact O-N 3.45Å; D176-K179 PolarHBondContact O-N 2.87Å
177F86.6Confident89.7Confident50 Ų5050.7 Ų50.722%0.21926%0.259CS..G310 helixtrans-63.8-18.7177-169.6-97.8000113.6E70 K173 Y174 P175 K179 T180E70-F177 HydrophobicContact CB-CE1 4.21Å; E70-F177 HydrophobicContact CG-CE1 4.03Å; E70-F177 HydrophobicContact CG-CZ 4.15Å; E70-F177 VanDerWaalsContact OE2-CE1 3.22Å; E70-F177 WeakPolarHBondContact OE2-CE1 3.43Å; K173-F177 HydrophobicContact CB-CB 4.17Å; K173-F177 HydrophobicContact CD-CB 4.4Å; K173-F177 HydrophobicContact CD-CD2 4.33Å; K173-F177 HydrophobicContact CD-CG 4.22Å; K173-F177 HydrophobicContact CG-CB 4.12Å; K173-F177 HydrophobicContact CG-CG 4.48Å; K173-F177 WeakPolarHBondContact O-CB 3.29Å; K173-F177 PolarHBondContact O-N 3.34Å; Y174-F177 HydrophobicContact CD1-CB 4.08Å; Y174-F177 HydrophobicContact CE1-CB 4.11Å; Y174-F177 AromaticContact CE1-CD1 3.82Å; Y174-F177 HydrophobicContact CE1-CD1 3.82Å; Y174-F177 HydrophobicContact CE1-CG 4.37Å; P175-F177 VanDerWaalsContact C-N 3.28Å; P175-F177 PolarHBondContact O-N 3.31Å; F177-K179 PolarHBondContact O-N 2.78Å; F177-K179 VanDerWaalsContact O-N 3.09Å; F177-T180 HydrophobicContact CD2-CG2 3.84Å; F177-T180 WeakPolarHBondContact CD2-OG1 3.42Å; F177-T180 WeakPolarHBondContact CE1-OG1 3.23Å; F177-T180 HydrophobicContact CE2-CG2 4.14Å; F177-T180 VanDerWaalsContact CE2-OG1 3.25Å; F177-T180 WeakPolarHBondContact CE2-OG1 3.43Å; F177-T180 HydrophobicContact CG-CG2 4.34Å; F177-T180 VanDerWaalsContact CZ-OG1 3.26Å; F177-T180 WeakPolarHBondContact CZ-OG1 3.4Å; F177-T180 WeakPolarHBondContact O-CB 3.48Å; F177-T180 PolarHBondContact O-N 2.9Å; F177-T180 PolarHBondContact O-OG1 3.2Å
178V84.1Confident89.3Confident3 Ų350.3 Ų50.32%0.01826%0.257CS..G310 helixtrans-59.3-27.9-178.2173.40000112.6W34 Q37 Y38 F74 Y174 P175 D176 T180W34-V178 HydrophobicContact CB-CG1 4.39Å; W34-V178 HydrophobicContact CB-CG2 4.38Å; W34-V178 WeakPolarHBondContact O-CG1 3.46Å; Q37-V178 HydrophobicContact CB-CG1 3.82Å; Y38-V178 HydrophobicContact CD2-CB 4.45Å; Y38-V178 HydrophobicContact CD2-CG1 4.3Å; Y38-V178 HydrophobicContact CD2-CG2 4.33Å; F74-V178 HydrophobicContact CD2-CG2 4.06Å; F74-V178 HydrophobicContact CE2-CG2 3.31Å; F74-V178 HydrophobicContact CZ-CG2 3.63Å; Y174-V178 HydrophobicContact CD1-CG2 4.28Å; P175-V178 HydrophobicContact CB-CG2 4.47Å; P175-V178 WeakPolarHBondContact O-CB 3.39Å; P175-V178 WeakPolarHBondContact O-CG2 3.31Å; P175-V178 PolarHBondContact O-N 2.98Å; D176-V178 PolarHBondContact O-N 3.45Å; V178-T180 VanDerWaalsContact C-N 3.3Å
179K79.2Confident89Confident136 Ų13644.8 Ų44.859%0.59123%0.232SC*.G310 helixtrans-80.7-10.6178.7-62176.8-176.8174.40113.3D176 F177 S181D176-K179 PolarHBondContact O-N 2.87Å; F177-K179 PolarHBondContact O-N 2.78Å; F177-K179 VanDerWaalsContact O-N 3.09Å; K179-S181 PolarHBondContact O-N 3.37Å
180T81.2Confident88.5Confident56 Ų5641.7 Ų41.734%0.34420%0.204SC..  trans-75.2110.3-17967.90000109.5F177 V178F177-T180 HydrophobicContact CD2-CG2 3.84Å; F177-T180 WeakPolarHBondContact CD2-OG1 3.42Å; F177-T180 WeakPolarHBondContact CE1-OG1 3.23Å; F177-T180 HydrophobicContact CE2-CG2 4.14Å; F177-T180 VanDerWaalsContact CE2-OG1 3.25Å; F177-T180 WeakPolarHBondContact CE2-OG1 3.43Å; F177-T180 HydrophobicContact CG-CG2 4.34Å; F177-T180 VanDerWaalsContact CZ-OG1 3.26Å; F177-T180 WeakPolarHBondContact CZ-OG1 3.4Å; F177-T180 WeakPolarHBondContact O-CB 3.48Å; F177-T180 PolarHBondContact O-N 2.9Å; F177-T180 PolarHBondContact O-OG1 3.2Å; V178-T180 VanDerWaalsContact C-N 3.3Å
181S86.1Confident88Confident26 Ų2638.7 Ų38.718%0.18219%0.192CC..  trans-137.1163.3173.253.80000107.3K179K179-S181 PolarHBondContact O-N 3.37Å
182H90.9Very high87.7Confident4 Ų438 Ų382%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-102.9116.3171.2-177.173.8000108.9R267 F268 R270 Y273 D444 W448H182-R267 WeakPolarHBondContact O-CA 3.49Å; H182-F268 PolarHBondContact N-O 3.45Å; H182-F268 PolarHBondContact O-N 2.89Å; H182-R270 HydrophobicContact CB-CG 4.14Å; H182-Y273 AromaticContact CD2-CD1 3.39Å; H182-Y273 WeakPolarHBondContact CD2-CD1 3.25Å; H182-Y273 AromaticContact CD2-CD2 3.38Å; H182-Y273 WeakPolarHBondContact CD2-CD2 3.4Å; H182-Y273 AromaticContact CD2-CE1 3.67Å; H182-Y273 AromaticContact CD2-CE2 3.67Å; H182-Y273 AromaticContact CD2-CG 3.22Å; H182-Y273 AromaticContact CD2-CZ 3.78Å; H182-Y273 AromaticContact NE2-CD1 3.46Å; H182-Y273 WeakPolarHBondContact NE2-CD1 3.22Å; H182-Y273 AromaticContact NE2-CD2 3.83Å; H182-Y273 AromaticContact NE2-CE1 3.22Å; H182-Y273 WeakPolarHBondContact NE2-CE1 3.45Å; H182-Y273 AromaticContact NE2-CE2 3.62Å; H182-Y273 AromaticContact NE2-CG 3.74Å; H182-Y273 AromaticContact NE2-CZ 3.29Å; H182-Y273 VanDerWaalsContact NE2-CZ 3.29Å; H182-D444 WeakPolarHBondContact CA-OD2 3.45Å; H182-W448 AromaticContact CE1-NE1 3.93Å; H182-W448 AromaticContact ND1-NE1 3.6Å
183L91.3Very high87.3Confident12 Ų1229.4 Ų29.46%0.06315%0.15CC..EExtended strand (participates in β ladder)trans-88118.4175.6-173.274.3000109.6P265 M266 R267 P441 P442 D444L183-P265 HydrophobicContact CD1-CB 4.03Å; L183-M266 WeakPolarHBondContact CA-O 3.25Å; L183-R267 HydrophobicContact CD1-CG 3.65Å; L183-P441 HydrophobicContact CD2-CB 3.95Å; L183-P441 HydrophobicContact CD2-CG 3.89Å; L183-P442 VanDerWaalsContact CD2-O 3.28Å; L183-P442 WeakPolarHBondContact CD2-O 3.49Å; L183-D444 HydrophobicContact CB-CB 4.47Å; L183-D444 PolarHBondContact N-OD2 3.47Å; L183-D444 PolarHBondContact O-N 3.4Å
184A91.9Very high86.9Confident2 Ų226 Ų262%0.01714%0.135CC..EExtended strand (participates in β ladder)trans-124.6151173.500000110.8M266 F268 Y273 L302A184-M266 PolarHBondContact N-O 3.36Å; A184-M266 PolarHBondContact O-N 3.4Å; A184-F268 HydrophobicContact CB-CD2 4.2Å; A184-F268 HydrophobicContact CB-CE2 4.03Å; A184-Y273 HydrophobicContact CB-CD2 4Å; A184-Y273 HydrophobicContact CB-CE2 3.33Å; A184-L302 HydrophobicContact CB-CD1 4.31Å
185H91.1Very high86.5Confident47 Ų4725.4 Ų25.422%0.21813%0.133CC..EExtended strand (participates in β ladder)trans-85.9135.2171.4-65.1166.1000109.6T263 G299 P441 A443H185-T263 HydrophobicContact CB-CG2 3.95Å; H185-G299 VanDerWaalsContact O-CA 3.26Å; H185-G299 WeakPolarHBondContact O-CA 3.37Å; H185-P441 PolarHBondContact CE1-O 2.96Å; H185-P441 PolarHBondContact NE2-O 3.35Å; H185-A443 PolarHBondContact NE2-N 2.87Å
186I91.1Very high86.4Confident0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-125.6137.9173.466.3172000109.5V188 F196 T263 I264 M266 F268 L302 L306I186-V188 HydrophobicContact CD1-CG1 4.09Å; I186-V188 HydrophobicContact CD1-CG2 4.47Å; I186-V188 HydrophobicContact CG1-CG1 4.34Å; I186-F196 HydrophobicContact CD1-CD2 4.42Å; I186-T263 CarbonylContact O-C 3.59Å; I186-T263 WeakPolarHBondContact O-CA 3.43Å; I186-I264 HydrophobicContact CD1-CD1 4.13Å; I186-I264 HydrophobicContact CD1-CG1 4.14Å; I186-I264 HydrophobicContact CG1-CD1 4.16Å; I186-I264 HydrophobicContact CG1-CG1 3.59Å; I186-I264 PolarHBondContact N-O 3.4Å; I186-I264 PolarHBondContact O-N 2.86Å; I186-M266 HydrophobicContact CD1-CB 4.06Å; I186-M266 HydrophobicContact CD1-CE 3.58Å; I186-M266 HydrophobicContact CD1-CG 4.2Å; I186-M266 HydrophobicContact CG1-CB 4.17Å; I186-M266 HydrophobicContact CG1-CE 4.48Å; I186-M266 HydrophobicContact CG2-CB 4.4Å; I186-F268 HydrophobicContact CG2-CE2 4.42Å; I186-F268 HydrophobicContact CG2-CZ 4.28Å; I186-L302 HydrophobicContact CG2-CB 3.93Å; I186-L306 HydrophobicContact CD1-CD1 3.65Å; I186-L306 HydrophobicContact CG2-CD1 4.19Å
187T87.9Confident86Confident10 Ų1018.2 Ų18.26%0.0619%0.092CC..EExtended strand (participates in β ladder)trans-104.9108.7176.3-53.80000108.4Y261 V262 T263 P288 G299 G303T187-Y261 HydrophobicContact CG2-CD1 4.35Å; T187-V262 WeakPolarHBondContact CA-O 3.48Å; T187-T263 PolarHBondContact OG1-OG1 3.42Å; T187-P288 HydrophobicContact CG2-CB 4.19Å; T187-P288 HydrophobicContact CG2-CG 3.88Å; T187-G299 PolarHBondContact N-O 3.3Å; T187-G303 WeakPolarHBondContact O-CA 3.33Å
188V87.4Confident85.4Confident0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-134.2154.3-175.3-66.50000110.2I186 V192 A193 V262 I264 G303I186-V188 HydrophobicContact CD1-CG1 4.09Å; I186-V188 HydrophobicContact CD1-CG2 4.47Å; I186-V188 HydrophobicContact CG1-CG1 4.34Å; V188-V192 HydrophobicContact CB-CB 4.17Å; V188-V192 HydrophobicContact CB-CG1 3.93Å; V188-V192 HydrophobicContact CG1-CG1 4.12Å; V188-V192 HydrophobicContact CG2-CB 4.47Å; V188-V192 HydrophobicContact CG2-CG1 4.23Å; V188-A193 HydrophobicContact CG2-CB 3.88Å; V188-V262 PolarHBondContact N-O 2.65Å; V188-V262 PolarHBondContact O-N 3.04Å; V188-V262 VanDerWaalsContact O-O 3.13Å; V188-I264 HydrophobicContact CG2-CD1 4.12Å; V188-I264 HydrophobicContact CG2-CG1 4.3Å; V188-G303 VanDerWaalsContact CG1-CA 3.44Å
189P85.8Confident84.7Confident2 Ų217.9 Ų17.91%0.0139%0.092CC..EExtended strand (participates in β ladder)trans-62.2151.4171.8-31.842.4000113.2A191 V192 A193 I235 S260 Y261P189-A191 PolarHBondContact O-N 2.87Å; P189-A191 VanDerWaalsContact O-N 3.09Å; P189-V192 WeakPolarHBondContact O-CA 3.33Å; P189-V192 PolarHBondContact O-N 2.94Å; P189-A193 PolarHBondContact O-N 3.23Å; P189-I235 HydrophobicContact CB-CD1 3.29Å; P189-I235 HydrophobicContact CG-CD1 3.17Å; P189-I235 HydrophobicContact CG-CG1 4.2Å; P189-S260 VanDerWaalsContact CA-O 3.26Å; P189-S260 WeakPolarHBondContact CA-O 3.4Å; P189-Y261 HydrophobicContact CG-CD1 3.65Å; P189-Y261 HydrophobicContact CG-CE1 3.41Å; P189-Y261 VanDerWaalsContact CG-CE1 3.41Å; P189-Y261 HydrophobicContact CG-CG 4.38Å
190Y83.4Confident84.1Confident8 Ų811.9 Ų11.93%0.0317%0.069CC..Hα-helixtrans-55.2-34.8-173.5-76.4-90.8000114.2V192 A193 A194 S260 V262 Y425 V429 F432 Y433Y190-V192 VanDerWaalsContact C-N 3.34Å; Y190-V192 PolarHBondContact O-N 3.24Å; Y190-A193 PolarHBondContact O-N 3Å; Y190-A194 WeakPolarHBondContact O-CB 3.41Å; Y190-A194 PolarHBondContact O-N 3.32Å; Y190-S260 VanDerWaalsContact CD2-O 3.32Å; Y190-S260 WeakPolarHBondContact CD2-O 3.11Å; Y190-S260 WeakPolarHBondContact CD2-OG 3.43Å; Y190-S260 PolarHBondContact N-O 2.94Å; Y190-V262 HydrophobicContact CD1-CB 4.34Å; Y190-V262 HydrophobicContact CD1-CG1 4.07Å; Y190-V262 HydrophobicContact CE1-CB 3.94Å; Y190-V262 HydrophobicContact CE1-CG1 4.18Å; Y190-V262 HydrophobicContact CE1-CG2 4.42Å; Y190-V262 HydrophobicContact CE2-CB 4.32Å; Y190-V262 HydrophobicContact CG-CG1 4.34Å; Y190-Y425 WeakPolarHBondContact CB-OH 3.48Å; Y190-V429 HydrophobicContact CD1-CB 4.49Å; Y190-V429 HydrophobicContact CD1-CG1 4.11Å; Y190-V429 HydrophobicContact CD1-CG2 4.29Å; Y190-V429 HydrophobicContact CE1-CG1 4.24Å; Y190-V429 HydrophobicContact CG-CG2 4.49Å; Y190-F432 HydrophobicContact CD1-CB 3.7Å; Y190-F432 AromaticContact CD1-CD2 3.97Å; Y190-F432 HydrophobicContact CD1-CD2 3.97Å; Y190-F432 HydrophobicContact CD1-CG 4.07Å; Y190-F432 HydrophobicContact CE1-CB 3.51Å; Y190-F432 HydrophobicContact CE1-CG 4.35Å; Y190-Y433 WeakPolarHBondContact OH-CE1 3.24Å
191A81.3Confident83.8Confident4 Ų49.7 Ų9.73%0.0336%0.056CC..Hα-helixtrans-63.1-40.9176.400000112P189 V195 F236 L254 M419P189-A191 PolarHBondContact O-N 2.87Å; P189-A191 VanDerWaalsContact O-N 3.09Å; A191-V195 WeakPolarHBondContact O-CG2 3.48Å; A191-V195 PolarHBondContact O-N 2.76Å; A191-V195 VanDerWaalsContact O-N 3.08Å; A191-F236 HydrophobicContact CB-CE2 4.17Å; A191-L254 HydrophobicContact CB-CD2 4.26Å; A191-M419 HydrophobicContact CB-CE 4.48Å
192V87.4Confident83.6Confident0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-74.3-39.9177.61730000110.8V188 P189 Y190 A194 V195 F196 I235 F236 L310V188-V192 HydrophobicContact CB-CB 4.17Å; V188-V192 HydrophobicContact CB-CG1 3.93Å; V188-V192 HydrophobicContact CG1-CG1 4.12Å; V188-V192 HydrophobicContact CG2-CB 4.47Å; V188-V192 HydrophobicContact CG2-CG1 4.23Å; P189-V192 WeakPolarHBondContact O-CA 3.33Å; P189-V192 PolarHBondContact O-N 2.94Å; Y190-V192 VanDerWaalsContact C-N 3.34Å; Y190-V192 PolarHBondContact O-N 3.24Å; V192-A194 VanDerWaalsContact C-N 3.29Å; V192-A194 PolarHBondContact O-N 3.48Å; V192-V195 PolarHBondContact O-N 2.85Å; V192-V195 VanDerWaalsContact O-N 3.17Å; V192-F196 HydrophobicContact CG1-CD2 3.55Å; V192-F196 HydrophobicContact CG1-CE2 3.24Å; V192-F196 HydrophobicContact CG1-CZ 4.01Å; V192-F196 PolarHBondContact O-N 2.83Å; V192-I235 HydrophobicContact CB-CD1 4.46Å; V192-I235 HydrophobicContact CG2-CD1 3.48Å; V192-I235 VanDerWaalsContact CG2-CD1 3.48Å; V192-I235 HydrophobicContact CG2-CG1 4.36Å; V192-I235 HydrophobicContact CG2-CG2 3.83Å; V192-F236 HydrophobicContact CG2-CZ 4.1Å; V192-L310 HydrophobicContact CG1-CD2 4.22Å; V192-L310 HydrophobicContact CG2-CD2 4Å
193A86.3Confident83.2Confident0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-54.6-48.6172.400000110.7V188 P189 Y190 V195 F196 T197 V262 I264 F432V188-A193 HydrophobicContact CG2-CB 3.88Å; P189-A193 PolarHBondContact O-N 3.23Å; Y190-A193 PolarHBondContact O-N 3Å; A193-V195 PolarHBondContact O-N 2.86Å; A193-F196 PolarHBondContact O-N 3.14Å; A193-T197 PolarHBondContact O-N 3.25Å; A193-T197 PolarHBondContact O-OG1 3.32Å; A193-T197 VanDerWaalsContact O-OG1 3.04Å; A193-V262 HydrophobicContact CB-CG1 3.57Å; A193-I264 HydrophobicContact CB-CD1 4.13Å; A193-I264 HydrophobicContact CB-CG2 4.49Å; A193-F432 HydrophobicContact CB-CD1 4.13Å; A193-F432 HydrophobicContact CB-CD2 4.44Å; A193-F432 HydrophobicContact CB-CE1 3.6Å; A193-F432 HydrophobicContact CB-CE2 3.97Å; A193-F432 HydrophobicContact CB-CZ 3.53Å; A193-F432 WeakPolarHBondContact O-CZ 3.31Å
194A82.5Confident83.1Confident0 Ų011.4 Ų11.40%06%0.062CC..Iπ-helixtrans-61-42.2177.400000112.3Y190 V192 F196 V198 F199 M419 F432Y190-A194 WeakPolarHBondContact O-CB 3.41Å; Y190-A194 PolarHBondContact O-N 3.32Å; V192-A194 VanDerWaalsContact C-N 3.29Å; V192-A194 PolarHBondContact O-N 3.48Å; A194-F196 VanDerWaalsContact C-N 3.35Å; A194-F196 PolarHBondContact O-N 3.38Å; A194-V198 WeakPolarHBondContact O-CA 3.48Å; A194-V198 WeakPolarHBondContact O-CB 3.43Å; A194-V198 PolarHBondContact O-N 3.37Å; A194-F199 HydrophobicContact CB-CD2 4.37Å; A194-F199 HydrophobicContact CB-CE2 4.38Å; A194-F199 WeakPolarHBondContact O-CD2 3.31Å; A194-F199 PolarHBondContact O-N 2.88Å; A194-M419 HydrophobicContact CB-CE 3.52Å; A194-M419 HydrophobicContact CB-SD 4.36Å; A194-F432 HydrophobicContact CB-CE2 3.88Å; A194-F432 HydrophobicContact CB-CZ 4.38Å; A194-F432 VanDerWaalsContact N-CZ 3.34Å
195V84.9Confident83.1Confident0 Ų011.6 Ų11.60%06%0.062CC..Iπ-helixtrans-62.6-40.6175.8170.40000111.3A191 V192 A193 F199 G200 I204 L310 V412 I415 L416 M419A191-V195 WeakPolarHBondContact O-CG2 3.48Å; A191-V195 PolarHBondContact O-N 2.76Å; A191-V195 VanDerWaalsContact O-N 3.08Å; V192-V195 PolarHBondContact O-N 2.85Å; V192-V195 VanDerWaalsContact O-N 3.17Å; A193-V195 PolarHBondContact O-N 2.86Å; V195-F199 CarbonylContact O-C 3.58Å; V195-G200 WeakPolarHBondContact O-CA 3.25Å; V195-G200 PolarHBondContact O-N 3.28Å; V195-I204 HydrophobicContact CG1-CG2 4.5Å; V195-L310 HydrophobicContact CG1-CD1 4.32Å; V195-L310 HydrophobicContact CG1-CD2 4.25Å; V195-V412 HydrophobicContact CG1-CG1 4.41Å; V195-V412 HydrophobicContact CG1-CG2 4.47Å; V195-I415 HydrophobicContact CG2-CG2 4.16Å; V195-L416 HydrophobicContact CG2-CD2 3.87Å; V195-M419 HydrophobicContact CG2-SD 4.24Å
196F87.1Confident83.1Confident7 Ų79.6 Ų9.63%0.0315%0.053CC..Iπ-helixtrans-81.9-30.1-177.4-67.2-38.5000114.8I186 V192 A193 A194 I204 I205 M266 L306 L310I186-F196 HydrophobicContact CD1-CD2 4.42Å; V192-F196 HydrophobicContact CG1-CD2 3.55Å; V192-F196 HydrophobicContact CG1-CE2 3.24Å; V192-F196 HydrophobicContact CG1-CZ 4.01Å; V192-F196 PolarHBondContact O-N 2.83Å; A193-F196 PolarHBondContact O-N 3.14Å; A194-F196 VanDerWaalsContact C-N 3.35Å; A194-F196 PolarHBondContact O-N 3.38Å; F196-I204 HydrophobicContact CD1-CG2 4.45Å; F196-I204 HydrophobicContact CE1-CG2 4.2Å; F196-I205 HydrophobicContact CB-CD1 4.48Å; F196-I205 HydrophobicContact CB-CG1 4.35Å; F196-I205 HydrophobicContact CD1-CG1 3.61Å; F196-I205 HydrophobicContact CE1-CG1 4.08Å; F196-I205 HydrophobicContact CG-CG1 4.08Å; F196-M266 HydrophobicContact CB-CE 3.58Å; F196-M266 HydrophobicContact CD2-CE 4.34Å; F196-M266 HydrophobicContact CG-CE 4.28Å; F196-L306 HydrophobicContact CE2-CB 3.88Å; F196-L306 HydrophobicContact CE2-CD1 4.32Å; F196-L306 HydrophobicContact CZ-CB 4.09Å; F196-L310 HydrophobicContact CE1-CD1 4.27Å; F196-L310 HydrophobicContact CE1-CD2 4.48Å; F196-L310 HydrophobicContact CZ-CB 4.39Å; F196-L310 HydrophobicContact CZ-CD2 4.28Å
197T79.2Confident83.1Confident16 Ų169.9 Ų9.910%0.0986%0.055CC..Iπ-helixtrans-110.2-37.7-175.269.20000113.9A193 I264 M266 Q368 F432A193-T197 PolarHBondContact O-N 3.25Å; A193-T197 PolarHBondContact O-OG1 3.32Å; A193-T197 VanDerWaalsContact O-OG1 3.04Å; T197-I264 HydrophobicContact CG2-CD1 3.58Å; T197-M266 HydrophobicContact CG2-CE 4.22Å; T197-Q368 PolarHBondContact O-NE2 3.33Å; T197-Q368 PolarHBondContact O-OE1 3.4Å; T197-F432 HydrophobicContact CG2-CE1 4.43Å; T197-F432 WeakPolarHBondContact OG1-CE1 3.29Å; T197-F432 WeakPolarHBondContact OG1-CZ 3.35Å
198V73.7Confident83.3Confident25 Ų259.4 Ų9.415%0.1525%0.052CC..Iπ-helixtrans-86.8-46.1-174.3-177.40000111A194 Q368 C428 F432A194-V198 WeakPolarHBondContact O-CA 3.48Å; A194-V198 WeakPolarHBondContact O-CB 3.43Å; A194-V198 PolarHBondContact O-N 3.37Å; V198-Q368 PolarHBondContact O-NE2 3.37Å; V198-C428 HydrophobicContact CG2-CB 4.44Å; V198-F432 HydrophobicContact CG2-CE2 4.12Å; V198-F432 HydrophobicContact CG2-CZ 3.97Å
199F69.9Low83.5Confident20 Ų209.5 Ų9.59%0.0885%0.053CC..SBendtrans-113.3-5.8-173.4-58-71.6000113.7A194 V195 W372 F411 I415 Y418 M419A194-F199 HydrophobicContact CB-CD2 4.37Å; A194-F199 HydrophobicContact CB-CE2 4.38Å; A194-F199 WeakPolarHBondContact O-CD2 3.31Å; A194-F199 PolarHBondContact O-N 2.88Å; V195-F199 CarbonylContact O-C 3.58Å; F199-W372 WeakPolarHBondContact O-CZ2 3.45Å; F199-F411 WeakPolarHBondContact O-CE1 3.41Å; F199-I415 HydrophobicContact CB-CB 4.48Å; F199-I415 HydrophobicContact CB-CD1 3.67Å; F199-I415 HydrophobicContact CB-CG1 3.96Å; F199-I415 HydrophobicContact CB-CG2 3.65Å; F199-I415 HydrophobicContact CD1-CG2 4.45Å; F199-I415 HydrophobicContact CD2-CG2 3.72Å; F199-I415 HydrophobicContact CG-CG2 3.69Å; F199-Y418 HydrophobicContact CE1-CD1 4.37Å; F199-Y418 HydrophobicContact CE1-CE1 4.24Å; F199-Y418 HydrophobicContact CZ-CD1 4.44Å; F199-Y418 HydrophobicContact CZ-CE1 4.35Å; F199-M419 HydrophobicContact CD2-CG 4.19Å; F199-M419 HydrophobicContact CD2-SD 3.76Å; F199-M419 HydrophobicContact CE2-CE 4.46Å; F199-M419 HydrophobicContact CE2-CG 3.61Å; F199-M419 HydrophobicContact CE2-SD 3.69Å; F199-M419 HydrophobicContact CZ-CG 4.14Å
200G66.7Low83.8Confident10 Ų1010 Ų1010%0.1036%0.056CC..  trans-96.7141.6-168.200000113.4V195 W372V195-G200 WeakPolarHBondContact O-CA 3.25Å; V195-G200 PolarHBondContact O-N 3.28Å; G200-W372 PolarHBondContact O-NE1 3.01Å
201S73.3Confident84.1Confident11 Ų119.7 Ų9.78%0.0775%0.054CC..  trans-84.6157.2160.375.20000110.1D203 I204S201-D203 WeakPolarHBondContact CB-OD2 3.3Å; S201-D203 PolarHBondContact O-N 2.99Å; S201-D203 WeakPolarHBondContact OG-CB 3.34Å; S201-D203 PolarHBondContact OG-N 2.95Å; S201-D203 PolarHBondContact OG-OD2 2.94Å; S201-I204 PolarHBondContact O-N 3.39Å
202K82.7Confident84.6Confident42 Ų429.6 Ų9.618%0.1835%0.053CC..Hα-helixtrans-49.8-29.5169.7-66169.5172.9-174.80111.5I36 Q37 Y38 I204 I205 N206I36-K202 PolarHBondContact O-NZ 3.43Å; Q37-K202 PolarHBondContact O-NZ 3.02Å; Y38-K202 PolarHBondContact O-NZ 2.91Å; K202-I204 PolarHBondContact O-N 3.26Å; K202-I205 PolarHBondContact O-N 2.95Å; K202-N206 PolarHBondContact O-N 2.81Å; K202-N206 VanDerWaalsContact O-N 3.11Å
203D83.3Confident84.7Confident36 Ų3611 Ų1119%0.1937%0.065CC..Hα-helixtrans-68-29.8-179.6-39.9-58.4000113.4S201 S207S201-D203 WeakPolarHBondContact CB-OD2 3.3Å; S201-D203 PolarHBondContact O-N 2.99Å; S201-D203 WeakPolarHBondContact OG-CB 3.34Å; S201-D203 PolarHBondContact OG-N 2.95Å; S201-D203 PolarHBondContact OG-OD2 2.94Å; D203-S207 WeakPolarHBondContact O-CB 3.32Å; D203-S207 PolarHBondContact O-N 3.11Å; D203-S207 PolarHBondContact O-OG 3.16Å
204I88.4Confident84.8Confident0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-69.8-40.4177.1-58.8176.8000110.1V195 F196 S201 K202 S207 S208 L310 L313 F411 V412V195-I204 HydrophobicContact CG1-CG2 4.5Å; F196-I204 HydrophobicContact CD1-CG2 4.45Å; F196-I204 HydrophobicContact CE1-CG2 4.2Å; S201-I204 PolarHBondContact O-N 3.39Å; K202-I204 PolarHBondContact O-N 3.26Å; I204-S207 PolarHBondContact O-N 2.84Å; I204-S208 WeakPolarHBondContact O-CB 3.49Å; I204-S208 PolarHBondContact O-N 3.12Å; I204-S208 PolarHBondContact O-OG 2.86Å; I204-L310 HydrophobicContact CG2-CD1 3.98Å; I204-L313 HydrophobicContact CG2-CD2 4.43Å; I204-F411 HydrophobicContact CD1-CD1 3.57Å; I204-F411 HydrophobicContact CD1-CE1 3.65Å; I204-F411 HydrophobicContact CG1-CD1 4.42Å; I204-V412 HydrophobicContact CD1-CG2 4.02Å; I204-V412 HydrophobicContact CG1-CG2 4.41Å; I204-V412 HydrophobicContact CG2-CG2 3.66Å
205I91.2Very high84.9Confident6 Ų617.2 Ų17.23%0.03110%0.096CC..Hα-helixtrans-62-52.2175.5-60.9164.2000108.7F196 K202 S207 S208 I209 M266 F268 L306F196-I205 HydrophobicContact CB-CD1 4.48Å; F196-I205 HydrophobicContact CB-CG1 4.35Å; F196-I205 HydrophobicContact CD1-CG1 3.61Å; F196-I205 HydrophobicContact CE1-CG1 4.08Å; F196-I205 HydrophobicContact CG-CG1 4.08Å; K202-I205 PolarHBondContact O-N 2.95Å; I205-S207 VanDerWaalsContact C-N 3.32Å; I205-S207 PolarHBondContact O-N 2.92Å; I205-S208 WeakPolarHBondContact O-CB 3.21Å; I205-S208 PolarHBondContact O-N 3.22Å; I205-S208 VanDerWaalsContact O-N 3.13Å; I205-I209 HydrophobicContact CG2-CD1 4.2Å; I205-I209 WeakPolarHBondContact O-CG1 3.1Å; I205-I209 PolarHBondContact O-N 2.58Å; I205-M266 HydrophobicContact CD1-CE 4.17Å; I205-M266 HydrophobicContact CD1-CG 4.35Å; I205-M266 HydrophobicContact CD1-SD 3.43Å; I205-M266 WeakPolarHBondContact CD1-SD 3.42Å; I205-F268 HydrophobicContact CG2-CD1 4.33Å; I205-F268 HydrophobicContact CG2-CE1 3.77Å; I205-L306 HydrophobicContact CG2-CD2 4.26Å
206N91.2Very high84.7Confident4 Ų418.5 Ų18.52%0.02110%0.103CC..Hα-helixtrans-58.3-42.2178-73.3-17.5000112.2W40 Y41 K202 S208 I209 D210W40-N206 PolarHBondContact O-ND2 2.93Å; Y41-N206 PolarHBondContact O-ND2 2.95Å; Y41-N206 VanDerWaalsContact O-ND2 3.11Å; K202-N206 PolarHBondContact O-N 2.81Å; K202-N206 VanDerWaalsContact O-N 3.11Å; N206-S208 PolarHBondContact O-N 2.85Å; N206-I209 PolarHBondContact O-N 3.09Å; N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 PolarHBondContact O-N 3.48Å
207S91Very high84.3Confident7 Ų723.3 Ų23.35%0.04914%0.137CC..Hα-helixtrans-67.5-35177.2-62.40000112.8D203 I204 I205 I209 D210 V211 H408D203-S207 WeakPolarHBondContact O-CB 3.32Å; D203-S207 PolarHBondContact O-N 3.11Å; D203-S207 PolarHBondContact O-OG 3.16Å; I204-S207 PolarHBondContact O-N 2.84Å; I205-S207 VanDerWaalsContact C-N 3.32Å; I205-S207 PolarHBondContact O-N 2.92Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-D210 PolarHBondContact O-N 2.87Å; S207-V211 WeakPolarHBondContact O-CB 3.34Å; S207-V211 VanDerWaalsContact O-CG2 3.3Å; S207-V211 WeakPolarHBondContact O-CG2 3.42Å; S207-V211 PolarHBondContact O-N 3.38Å; S207-H408 PolarHBondContact OG-CE1 3.13Å; S207-H408 PolarHBondContact OG-ND1 3.38Å
208S92Very high84.3Confident0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-65.1-40.8175-57.90000110.7I204 I205 N206 L212 G309I204-S208 WeakPolarHBondContact O-CB 3.49Å; I204-S208 PolarHBondContact O-N 3.12Å; I204-S208 PolarHBondContact O-OG 2.86Å; I205-S208 WeakPolarHBondContact O-CB 3.21Å; I205-S208 PolarHBondContact O-N 3.22Å; I205-S208 VanDerWaalsContact O-N 3.13Å; N206-S208 PolarHBondContact O-N 2.85Å; S208-L212 WeakPolarHBondContact O-CB 3.11Å; S208-L212 PolarHBondContact O-N 3.39Å; S208-L212 VanDerWaalsContact O-N 3.11Å; S208-G309 WeakPolarHBondContact O-CA 3.21Å
209I92.7Very high84.3Confident1 Ų130.4 Ų30.41%0.00517%0.168CC..Hα-helixtrans-66.1-46.7174.6-61168.8000110.6I205 N206 S207 L212 A213 F268 R272 L275 L276 L306I205-I209 HydrophobicContact CG2-CD1 4.2Å; I205-I209 WeakPolarHBondContact O-CG1 3.1Å; I205-I209 PolarHBondContact O-N 2.58Å; N206-I209 PolarHBondContact O-N 3.09Å; S207-I209 VanDerWaalsContact C-N 3.33Å; I209-L212 PolarHBondContact O-N 2.99Å; I209-A213 WeakPolarHBondContact O-CB 3.18Å; I209-A213 PolarHBondContact O-N 3.42Å; I209-F268 HydrophobicContact CD1-CD1 4.33Å; I209-F268 HydrophobicContact CD1-CE1 4.26Å; I209-R272 HydrophobicContact CD1-CB 4.3Å; I209-L275 HydrophobicContact CG2-CD2 3.76Å; I209-L275 HydrophobicContact CG2-CG 4.09Å; I209-L276 HydrophobicContact CD1-CB 4.48Å; I209-L276 HydrophobicContact CG1-CD1 4.37Å; I209-L306 HydrophobicContact CD1-CD2 4.27Å; I209-L306 HydrophobicContact CG1-CD2 3.75Å
210D91.3Very high84.4Confident14 Ų1431.5 Ų31.58%0.07518%0.178CC..Hα-helixtrans-60.5-47.2-180-83-39.2000112.1R42 N206 S207 L212 A213 D214 R272 F405R42-D210 IonicContact CZ-OD1 2.72Å; R42-D210 IonicContact CZ-OD2 2.59Å; R42-D210 IonicContact NE-OD1 3.76Å; R42-D210 PolarHBondContact NE-OD1 2.98Å; R42-D210 IonicContact NE-OD2 2.85Å; R42-D210 PolarHBondContact NE-OD2 2.73Å; R42-D210 VanDerWaalsContact NE-OD2 3.11Å; R42-D210 IonicContact NH2-OD1 2.8Å; R42-D210 PolarHBondContact NH2-OD1 3.31Å; R42-D210 IonicContact NH2-OD2 2.81Å; N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 PolarHBondContact O-N 3.48Å; S207-D210 PolarHBondContact O-N 2.87Å; D210-L212 VanDerWaalsContact C-N 3.33Å; D210-L212 PolarHBondContact O-N 2.96Å; D210-A213 PolarHBondContact O-N 2.66Å; D210-D214 WeakPolarHBondContact O-CB 3.41Å; D210-D214 PolarHBondContact O-N 3.48Å; D210-R272 VanDerWaalsContact CG-NH1 3.29Å; D210-R272 VanDerWaalsContact CG-NH2 3.35Å; D210-R272 IonicContact OD1-CZ 3.93Å; D210-R272 IonicContact OD1-NH1 3.62Å; D210-R272 PolarHBondContact OD1-NH1 3.06Å; D210-R272 IonicContact OD1-NH2 3.53Å; D210-R272 PolarHBondContact OD1-NH2 3.44Å; D210-R272 IonicContact OD2-CZ 3.11Å; D210-R272 IonicContact OD2-NH1 3.73Å; D210-R272 IonicContact OD2-NH2 3.54Å; D210-R272 PolarHBondContact OD2-NH2 3.25Å; D210-F405 HydrophobicContact CB-CE1 3.95Å; D210-F405 HydrophobicContact CB-CZ 3.87Å
211V90.4Very high84.7Confident0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-64.9-40.1178.6172.80000110.7S207 K215 L312 L313 F316 F405S207-V211 WeakPolarHBondContact O-CB 3.34Å; S207-V211 VanDerWaalsContact O-CG2 3.3Å; S207-V211 WeakPolarHBondContact O-CG2 3.42Å; S207-V211 PolarHBondContact O-N 3.38Å; V211-K215 HydrophobicContact CG1-CG 4.11Å; V211-K215 WeakPolarHBondContact O-CB 3.37Å; V211-K215 VanDerWaalsContact O-CG 3.23Å; V211-K215 WeakPolarHBondContact O-CG 3.38Å; V211-K215 PolarHBondContact O-N 3.32Å; V211-L312 HydrophobicContact CG1-CB 3.42Å; V211-L312 VanDerWaalsContact CG1-CB 3.42Å; V211-L312 HydrophobicContact CG1-CD1 4.43Å; V211-L313 HydrophobicContact CG2-CB 4.47Å; V211-L313 HydrophobicContact CG2-CD1 3.89Å; V211-F316 HydrophobicContact CG1-CE2 3.96Å; V211-F316 HydrophobicContact CG2-CE2 4.1Å; V211-F405 HydrophobicContact CG2-CD1 3.82Å; V211-F405 HydrophobicContact CG2-CD2 3.82Å; V211-F405 HydrophobicContact CG2-CE1 3.78Å; V211-F405 HydrophobicContact CG2-CE2 3.77Å; V211-F405 HydrophobicContact CG2-CG 3.86Å; V211-F405 HydrophobicContact CG2-CZ 3.75Å
212L90.8Very high84.7Confident2 Ų231.4 Ų31.41%0.0118%0.175CC..Hα-helixtrans-61.4-48.5174.9179.662.9000110.9S208 I209 D210 K215 I216 W225 L279 K305 I308 L312S208-L212 WeakPolarHBondContact O-CB 3.11Å; S208-L212 PolarHBondContact O-N 3.39Å; S208-L212 VanDerWaalsContact O-N 3.11Å; I209-L212 PolarHBondContact O-N 2.99Å; D210-L212 VanDerWaalsContact C-N 3.33Å; D210-L212 PolarHBondContact O-N 2.96Å; L212-K215 PolarHBondContact O-N 3.16Å; L212-I216 HydrophobicContact CD1-CD1 4.18Å; L212-I216 HydrophobicContact CG-CD1 4.26Å; L212-I216 VanDerWaalsContact O-CB 3.32Å; L212-I216 WeakPolarHBondContact O-CB 3.4Å; L212-I216 PolarHBondContact O-N 3.21Å; L212-W225 HydrophobicContact CD1-CZ2 4.31Å; L212-L279 HydrophobicContact CB-CD1 4.44Å; L212-L279 HydrophobicContact CD2-CD1 3.71Å; L212-L279 HydrophobicContact CG-CD1 3.96Å; L212-K305 HydrophobicContact CD2-CB 3.92Å; L212-K305 WeakPolarHBondContact CD2-O 3.3Å; L212-I308 HydrophobicContact CD1-CB 4.41Å; L212-I308 HydrophobicContact CD1-CG2 3.78Å; L212-L312 HydrophobicContact CD1-CD1 4.24Å
213A90.4Very high84.2Confident31 Ų3131.9 Ų31.926%0.25618%0.178SC..Hα-helixtrans-62.8-42.5-179.100000112.6I209 D210 L275 L279I209-A213 WeakPolarHBondContact O-CB 3.18Å; I209-A213 PolarHBondContact O-N 3.42Å; D210-A213 PolarHBondContact O-N 2.66Å; A213-L275 HydrophobicContact CB-CD1 4.49Å; A213-L275 HydrophobicContact CB-CD2 4.41Å; A213-L279 HydrophobicContact CB-CD1 4.35Å; A213-L279 HydrophobicContact CB-CD2 3.98Å
214D87.4Confident83.7Confident94 Ų9430.2 Ų30.250%0.50317%0.169SC..Hα-helixtrans-67.4-40.2178.2-177.561.1000112.1D210D210-D214 WeakPolarHBondContact O-CB 3.41Å; D210-D214 PolarHBondContact O-N 3.48Å
215K85.6Confident83.1Confident35 Ų3530.5 Ų30.515%0.15217%0.17CC..Hα-helixtrans-94.7-3.1-171.3-59.4-70.4168.7-123.90114.2V211 L212 S217 E218 A221 L312V211-K215 HydrophobicContact CG1-CG 4.11Å; V211-K215 WeakPolarHBondContact O-CB 3.37Å; V211-K215 VanDerWaalsContact O-CG 3.23Å; V211-K215 WeakPolarHBondContact O-CG 3.38Å; V211-K215 PolarHBondContact O-N 3.32Å; L212-K215 PolarHBondContact O-N 3.16Å; K215-S217 PolarHBondContact O-N 2.92Å; K215-S217 VanDerWaalsContact O-N 3.17Å; K215-E218 HydrophobicContact CD-CG 4.21Å; K215-E218 WeakPolarHBondContact CD-OE1 3.48Å; K215-E218 WeakPolarHBondContact CD-OE2 3.3Å; K215-E218 WeakPolarHBondContact CE-OE1 3.14Å; K215-E218 IonicContact NZ-OE1 2.74Å; K215-E218 PolarHBondContact NZ-OE1 2.89Å; K215-E218 IonicContact NZ-OE2 3.87Å; K215-E218 WeakPolarHBondContact O-CA 3.27Å; K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 2.87Å; K215-A221 HydrophobicContact CB-CB 4.15Å; K215-A221 WeakPolarHBondContact O-CB 3.38Å; K215-L312 HydrophobicContact CB-CD1 4.26Å
216I81.4Confident82.2Confident28 Ų2832.8 Ų32.814%0.14418%0.182CC..THydrogen-bonded Turntrans-59.7-34.4-170.5-156.1134.2000114.2L212 E218 W225 L279 P280L212-I216 HydrophobicContact CD1-CD1 4.18Å; L212-I216 HydrophobicContact CG-CD1 4.26Å; L212-I216 VanDerWaalsContact O-CB 3.32Å; L212-I216 WeakPolarHBondContact O-CB 3.4Å; L212-I216 PolarHBondContact O-N 3.21Å; I216-E218 VanDerWaalsContact C-N 3.31Å; I216-W225 HydrophobicContact CD1-CH2 3.98Å; I216-W225 HydrophobicContact CD1-CZ2 3.89Å; I216-W225 HydrophobicContact CG1-CH2 3.56Å; I216-W225 HydrophobicContact CG1-CZ2 3.88Å; I216-L279 HydrophobicContact CD1-CB 4.23Å; I216-L279 HydrophobicContact CD1-CD2 3.86Å; I216-P280 VanDerWaalsContact CD1-CD 3.41Å; I216-P280 HydrophobicContact CD1-CG 3.49Å; I216-P280 VanDerWaalsContact CD1-CG 3.49Å; I216-P280 HydrophobicContact CG1-CG 3.86Å
217S78.7Confident81.1Confident107 Ų10737 Ų3775%0.74820%0.198SC*.THydrogen-bonded Turntrans-82.8-10.6177.6-52.50000112.6K215K215-S217 PolarHBondContact O-N 2.92Å; K215-S217 VanDerWaalsContact O-N 3.17Å
218E79.2Confident80Confident80 Ų8037.5 Ų37.537%0.37420%0.199SC..SBendtrans-86.1144.4-180-64.1-172.2-171.800111.6K215 I216 S220 A221 V222K215-E218 HydrophobicContact CD-CG 4.21Å; K215-E218 WeakPolarHBondContact CD-OE1 3.48Å; K215-E218 WeakPolarHBondContact CD-OE2 3.3Å; K215-E218 WeakPolarHBondContact CE-OE1 3.14Å; K215-E218 IonicContact NZ-OE1 2.74Å; K215-E218 PolarHBondContact NZ-OE1 2.89Å; K215-E218 IonicContact NZ-OE2 3.87Å; K215-E218 WeakPolarHBondContact O-CA 3.27Å; K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 2.87Å; I216-E218 VanDerWaalsContact C-N 3.31Å; E218-S220 WeakPolarHBondContact CB-OG 3.28Å; E218-S220 PolarHBondContact O-N 2.92Å; E218-S220 PolarHBondContact OE2-OG 2.85Å; E218-A221 PolarHBondContact O-N 3.33Å; E218-A221 VanDerWaalsContact O-N 3.07Å; E218-V222 PolarHBondContact O-N 3.03Å
219H72.8Confident78.6Confident111 Ų11139 Ų3951%0.51421%0.206SC..Hα-helixtrans-53.5-24169.2-175.3-97000112.4Q223H219-Q223 WeakPolarHBondContact CE1-CG 3.39Å; H219-Q223 PolarHBondContact CE1-NE2 2.94Å; H219-Q223 WeakPolarHBondContact ND1-CG 3.47Å; H219-Q223 PolarHBondContact NE2-NE2 3.2Å; H219-Q223 VanDerWaalsContact O-CB 3.22Å; H219-Q223 WeakPolarHBondContact O-CB 3.49Å; H219-Q223 WeakPolarHBondContact O-CG 3.34Å; H219-Q223 PolarHBondContact O-N 3.22Å
220S72.2Confident77.2Confident43 Ų4343.8 Ų43.830%0.30123%0.232SC..Hα-helixtrans-65.8-41.1176.8680000113.5E218 S224E218-S220 WeakPolarHBondContact CB-OG 3.28Å; E218-S220 PolarHBondContact O-N 2.92Å; E218-S220 PolarHBondContact OE2-OG 2.85Å; S220-S224 WeakPolarHBondContact O-CB 3.48Å; S220-S224 PolarHBondContact O-N 3.24Å; S220-S224 PolarHBondContact O-OG 3.15Å
221A72.3Confident75.6Confident0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-69.1-46173.300000111.2K215 E218 Q223 S224 W225 L312K215-A221 HydrophobicContact CB-CB 4.15Å; K215-A221 WeakPolarHBondContact O-CB 3.38Å; E218-A221 PolarHBondContact O-N 3.33Å; E218-A221 VanDerWaalsContact O-N 3.07Å; A221-Q223 VanDerWaalsContact C-N 3.28Å; A221-Q223 PolarHBondContact O-N 3.03Å; A221-S224 PolarHBondContact O-N 2.82Å; A221-S224 VanDerWaalsContact O-N 3.08Å; A221-W225 PolarHBondContact O-N 3.1Å; A221-L312 HydrophobicContact CB-CD1 3.89Å; A221-L312 HydrophobicContact CB-CD2 4.44Å
222V74.4Confident73.8Confident18 Ų1850.6 Ų50.611%0.10927%0.268CS..Hα-helixtrans-58.8-40.8175.8-1780000111.1E218 W225 L226E218-V222 PolarHBondContact O-N 3.03Å; V222-W225 HydrophobicContact CB-CE3 4.4Å; V222-W225 HydrophobicContact CG2-CE3 4.12Å; V222-W225 HydrophobicContact CG2-CZ3 4.17Å; V222-W225 WeakPolarHBondContact O-CB 3.44Å; V222-W225 PolarHBondContact O-N 3.27Å; V222-L226 HydrophobicContact CG1-CD1 4.1Å; V222-L226 HydrophobicContact CG1-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CB 3.18Å; V222-L226 VanDerWaalsContact O-CG 3.27Å; V222-L226 WeakPolarHBondContact O-CG 3.29Å; V222-L226 PolarHBondContact O-N 2.71Å
223Q71.8Confident72Confident53 Ų5352.9 Ų52.925%0.24828%0.284CS..Hα-helixtrans-69.1-37.4175.4-74-65.6-30.700112.7H219 A221 W225 L226 R227H219-Q223 WeakPolarHBondContact CE1-CG 3.39Å; H219-Q223 PolarHBondContact CE1-NE2 2.94Å; H219-Q223 WeakPolarHBondContact ND1-CG 3.47Å; H219-Q223 PolarHBondContact NE2-NE2 3.2Å; H219-Q223 VanDerWaalsContact O-CB 3.22Å; H219-Q223 WeakPolarHBondContact O-CB 3.49Å; H219-Q223 WeakPolarHBondContact O-CG 3.34Å; H219-Q223 PolarHBondContact O-N 3.22Å; A221-Q223 VanDerWaalsContact C-N 3.28Å; A221-Q223 PolarHBondContact O-N 3.03Å; Q223-W225 VanDerWaalsContact C-N 3.33Å; Q223-L226 PolarHBondContact O-N 3.07Å; Q223-R227 WeakPolarHBondContact O-CB 3.39Å; Q223-R227 WeakPolarHBondContact O-CD 3.48Å; Q223-R227 WeakPolarHBondContact O-CG 3.29Å; Q223-R227 PolarHBondContact O-N 2.8Å
224S73.4Confident70.4Confident1 Ų152.7 Ų52.71%0.00728%0.28CS..Hα-helixtrans-64.6-41.6174.3-59.30000110.5S220 A221 R227 L228 N238 L312S220-S224 WeakPolarHBondContact O-CB 3.48Å; S220-S224 PolarHBondContact O-N 3.24Å; S220-S224 PolarHBondContact O-OG 3.15Å; A221-S224 PolarHBondContact O-N 2.82Å; A221-S224 VanDerWaalsContact O-N 3.08Å; S224-R227 PolarHBondContact O-N 2.95Å; S224-L228 WeakPolarHBondContact O-CG 3.33Å; S224-L228 PolarHBondContact O-N 2.95Å; S224-N238 PolarHBondContact OG-ND2 3.4Å; S224-N238 VanDerWaalsContact OG-ND2 3.09Å; S224-L312 VanDerWaalsContact OG-CD2 3.22Å; S224-L312 WeakPolarHBondContact OG-CD2 3.48Å
225W75.3Confident69.4Low6 Ų649 Ų492%0.02326%0.26CS..Hα-helixtrans-55.4-59168.4-70.1-20.4000111.7L212 I216 A221 V222 Q223 R227 L228 F229 P280 I308 L621 Y622L212-W225 HydrophobicContact CD1-CZ2 4.31Å; I216-W225 HydrophobicContact CD1-CH2 3.98Å; I216-W225 HydrophobicContact CD1-CZ2 3.89Å; I216-W225 HydrophobicContact CG1-CH2 3.56Å; I216-W225 HydrophobicContact CG1-CZ2 3.88Å; A221-W225 PolarHBondContact O-N 3.1Å; V222-W225 HydrophobicContact CB-CE3 4.4Å; V222-W225 HydrophobicContact CG2-CE3 4.12Å; V222-W225 HydrophobicContact CG2-CZ3 4.17Å; V222-W225 WeakPolarHBondContact O-CB 3.44Å; V222-W225 PolarHBondContact O-N 3.27Å; Q223-W225 VanDerWaalsContact C-N 3.33Å; W225-R227 PolarHBondContact O-N 2.87Å; W225-L228 CarbonylContact O-C 3.49Å; W225-L228 WeakPolarHBondContact O-CA 3.28Å; W225-L228 WeakPolarHBondContact O-CB 3.1Å; W225-L228 PolarHBondContact O-N 2.96Å; W225-F229 HydrophobicContact CB-CD2 4.04Å; W225-F229 HydrophobicContact CB-CE2 3.84Å; W225-F229 WeakPolarHBondContact O-CD2 3.49Å; W225-F229 WeakPolarHBondContact O-CG 3.32Å; W225-F229 PolarHBondContact O-N 2.91Å; W225-P280 HydrophobicContact CH2-CG 4.28Å; W225-I308 HydrophobicContact CG-CD1 4.42Å; W225-L621 HydrophobicContact CD2-CD2 4.46Å; W225-L621 HydrophobicContact CE3-CD2 3.41Å; W225-L621 VanDerWaalsContact CE3-CD2 3.41Å; W225-L621 HydrophobicContact CZ3-CD2 3.6Å; W225-Y622 WeakPolarHBondContact CH2-OH 3.33Å; W225-Y622 HydrophobicContact CZ3-CE2 4.46Å; W225-Y622 WeakPolarHBondContact CZ3-OH 3.36Å
226L71Confident68.6Low54 Ų5447.7 Ų47.728%0.28325%0.254SS..Hα-helixtrans-56.8-34.2-179.3-73.6172.4000112.2V222 Q223 F229 N230V222-L226 HydrophobicContact CG1-CD1 4.1Å; V222-L226 HydrophobicContact CG1-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CB 3.18Å; V222-L226 VanDerWaalsContact O-CG 3.27Å; V222-L226 WeakPolarHBondContact O-CG 3.29Å; V222-L226 PolarHBondContact O-N 2.71Å; Q223-L226 PolarHBondContact O-N 3.07Å; L226-F229 PolarHBondContact O-N 2.91Å; L226-N230 WeakPolarHBondContact O-CB 3.29Å; L226-N230 PolarHBondContact O-N 3.31Å; L226-N230 PolarHBondContact O-ND2 3.49Å
227R69.4Low67.8Low93 Ų9346.7 Ų46.735%0.35125%0.25SS..Hα-helixtrans-69.3-40.2174.6-73.7167.8-159.9170.47.2112.2Q223 S224 W225 N231 A237 N238Q223-R227 WeakPolarHBondContact O-CB 3.39Å; Q223-R227 WeakPolarHBondContact O-CD 3.48Å; Q223-R227 WeakPolarHBondContact O-CG 3.29Å; Q223-R227 PolarHBondContact O-N 2.8Å; S224-R227 PolarHBondContact O-N 2.95Å; W225-R227 PolarHBondContact O-N 2.87Å; R227-N231 VanDerWaalsContact O-CB 3.3Å; R227-N231 WeakPolarHBondContact O-CB 3.24Å; R227-N231 PolarHBondContact O-N 3.46Å; R227-N231 PolarHBondContact O-ND2 3.39Å; R227-A237 HydrophobicContact CB-CB 4.11Å; R227-N238 VanDerWaalsContact CD-OD1 3.24Å; R227-N238 WeakPolarHBondContact CD-OD1 3.49Å; R227-N238 PolarHBondContact NH1-OD1 2.94Å
228L67.7Low67.2Low16 Ų1642.8 Ų42.88%0.08422%0.221CC..Hα-helixtrans-65.3-41.9173.4-69168000110.6S224 W225 T234 I308S224-L228 WeakPolarHBondContact O-CG 3.33Å; S224-L228 PolarHBondContact O-N 2.95Å; W225-L228 CarbonylContact O-C 3.49Å; W225-L228 WeakPolarHBondContact O-CA 3.28Å; W225-L228 WeakPolarHBondContact O-CB 3.1Å; W225-L228 PolarHBondContact O-N 2.96Å; L228-T234 WeakPolarHBondContact CD2-O 3.42Å; L228-I308 HydrophobicContact CD1-CB 4.38Å; L228-I308 HydrophobicContact CD1-CG1 3.56Å
229F62.5Low66.6Low31 Ų3141.6 Ų41.614%0.13621%0.213CC..Hα-helixtrans-64.4-57176.3-73.5-63000113W225 L226 N231 N232 P282 S283 F285 L621W225-F229 HydrophobicContact CB-CD2 4.04Å; W225-F229 HydrophobicContact CB-CE2 3.84Å; W225-F229 WeakPolarHBondContact O-CD2 3.49Å; W225-F229 WeakPolarHBondContact O-CG 3.32Å; W225-F229 PolarHBondContact O-N 2.91Å; L226-F229 PolarHBondContact O-N 2.91Å; F229-N231 PolarHBondContact O-N 3.48Å; F229-N232 PolarHBondContact O-N 2.89Å; F229-N232 PolarHBondContact O-OD1 3.07Å; F229-P282 HydrophobicContact CE1-CB 4.36Å; F229-P282 HydrophobicContact CE2-CB 3.99Å; F229-P282 HydrophobicContact CZ-CB 3.39Å; F229-S283 WeakPolarHBondContact CE1-O 3.48Å; F229-S283 VanDerWaalsContact CZ-O 3.31Å; F229-S283 WeakPolarHBondContact CZ-O 3.43Å; F229-F285 HydrophobicContact CD1-CB 4.5Å; F229-F285 AromaticContact CD1-CD2 3.85Å; F229-F285 HydrophobicContact CD1-CD2 3.85Å; F229-F285 HydrophobicContact CE1-CB 3.94Å; F229-F285 AromaticContact CE1-CD2 3.91Å; F229-F285 HydrophobicContact CE1-CD2 3.91Å; F229-F285 HydrophobicContact CE1-CG 4.44Å; F229-L621 HydrophobicContact CE2-CD1 4.15Å
230N63.1Low66Low103 Ų10337.7 Ų37.755%0.55120%0.198SC*.Hα-helixtrans-68-20.7-171.7-71.1-19.8000113.4L226L226-N230 WeakPolarHBondContact O-CB 3.29Å; L226-N230 PolarHBondContact O-N 3.31Å; L226-N230 PolarHBondContact O-ND2 3.49Å
231N57.8Low65.6Low39 Ų3942.1 Ų42.121%0.20921%0.212CC..THydrogen-bonded Turntrans-94.6-7.1-177.3-63.8-18.9000113.7R227 F229 S233 R247R227-N231 VanDerWaalsContact O-CB 3.3Å; R227-N231 WeakPolarHBondContact O-CB 3.24Å; R227-N231 PolarHBondContact O-N 3.46Å; R227-N231 PolarHBondContact O-ND2 3.39Å; F229-N231 PolarHBondContact O-N 3.48Å; N231-S233 PolarHBondContact O-N 3.37Å; N231-S233 PolarHBondContact O-OG 3.43Å; N231-R247 VanDerWaalsContact CG-NH1 3.3Å; N231-R247 PolarHBondContact ND2-NH1 3.04Å; N231-R247 VanDerWaalsContact ND2-NH1 3.14Å; N231-R247 PolarHBondContact OD1-NH1 3.23Å
232N52.2Low64.7Low118 Ų11847.6 Ų47.663%0.63124%0.241SC*.SBendtrans45.518.1175.4-100.912.2000117F229F229-N232 PolarHBondContact O-N 2.89Å; F229-N232 PolarHBondContact O-OD1 3.07Å
233S53.7Low63.7Low50 Ų5053.6 Ų53.635%0.3527%0.265SS..SBendtrans-169.3-0.7-17352.60000119.4N231 S258 N259N231-S233 PolarHBondContact O-N 3.37Å; N231-S233 PolarHBondContact O-OG 3.43Å; S233-S258 VanDerWaalsContact O-CB 3.24Å; S233-S258 WeakPolarHBondContact O-CB 3.36Å; S233-S258 PolarHBondContact O-OG 3.21Å; S233-N259 WeakPolarHBondContact CA-OD1 3.26Å; S233-N259 WeakPolarHBondContact CB-OD1 3.3Å
234T57.1Low63Low27 Ų2755.2 Ų55.217%0.16630%0.296CS..  trans-144.3119.1-178.468.20000114.6L228 A255 S258L228-T234 WeakPolarHBondContact CD2-O 3.42Å; T234-A255 HydrophobicContact CG2-CB 3.71Å; T234-S258 WeakPolarHBondContact CA-OG 3.43Å
235I65.6Low62.4Low17 Ų1758.8 Ų58.89%0.08733%0.334CS..THydrogen-bonded Turntrans-61.4156.5157.4-59.6151000108.6P189 V192 A237P189-I235 HydrophobicContact CB-CD1 3.29Å; P189-I235 HydrophobicContact CG-CD1 3.17Å; P189-I235 HydrophobicContact CG-CG1 4.2Å; V192-I235 HydrophobicContact CB-CD1 4.46Å; V192-I235 HydrophobicContact CG2-CD1 3.48Å; V192-I235 VanDerWaalsContact CG2-CD1 3.48Å; V192-I235 HydrophobicContact CG2-CG1 4.36Å; V192-I235 HydrophobicContact CG2-CG2 3.83Å; I235-A237 VanDerWaalsContact C-N 3.31Å
236F69.3Low61.6Low7 Ų762.8 Ų62.83%0.03136%0.359CS..THydrogen-bonded Turntrans72.321.9-177.6-41.8-56.8000114.3A191 V192 N238 R239 W251 L310 D311 L314 L416A191-F236 HydrophobicContact CB-CE2 4.17Å; V192-F236 HydrophobicContact CG2-CZ 4.1Å; F236-N238 PolarHBondContact O-N 2.92Å; F236-N238 VanDerWaalsContact O-N 3.12Å; F236-R239 PolarHBondContact O-N 3.06Å; F236-W251 HydrophobicContact CB-CE3 3.96Å; F236-W251 HydrophobicContact CB-CZ3 3.84Å; F236-W251 HydrophobicContact CG-CE3 4.33Å; F236-W251 HydrophobicContact CG-CZ3 4.27Å; F236-L310 HydrophobicContact CE1-CD2 3.83Å; F236-L310 HydrophobicContact CE1-CG 4.26Å; F236-L310 HydrophobicContact CZ-CD2 4.2Å; F236-D311 WeakPolarHBondContact CA-OD1 2.97Å; F236-L314 HydrophobicContact CD1-CD1 3.26Å; F236-L314 HydrophobicContact CE1-CD1 3.73Å; F236-L314 HydrophobicContact CG-CD1 4.25Å; F236-L416 HydrophobicContact CD1-CD1 3.89Å; F236-L416 HydrophobicContact CD2-CD1 4.4Å; F236-L416 HydrophobicContact CD2-CD2 4.39Å; F236-L416 HydrophobicContact CE1-CD1 3.66Å; F236-L416 HydrophobicContact CE1-CD2 4.22Å; F236-L416 HydrophobicContact CE2-CD1 4.21Å; F236-L416 HydrophobicContact CE2-CD2 3.62Å; F236-L416 HydrophobicContact CG-CD1 4.24Å; F236-L416 HydrophobicContact CZ-CD1 3.84Å; F236-L416 HydrophobicContact CZ-CD2 3.52Å; F236-L416 HydrophobicContact CZ-CG 4.33Å
237A64.6Low61Low7 Ų766.7 Ų66.76%0.05837%0.37CS..G310 helixtrans-56.9-29.2-177.700000112.9R227 I235 R239 C240R227-A237 HydrophobicContact CB-CB 4.11Å; I235-A237 VanDerWaalsContact C-N 3.31Å; A237-R239 PolarHBondContact O-N 3.34Å; A237-R239 VanDerWaalsContact O-N 3.08Å; A237-C240 WeakPolarHBondContact O-CB 3.37Å; A237-C240 PolarHBondContact O-N 2.87Å
238N64.9Low60.7Low25 Ų2568.7 Ų68.713%0.13438%0.381CS..G310 helixtrans-59-19.4176.4-72.7-17.3000113.7S224 R227 F236 D311 N315S224-N238 PolarHBondContact OG-ND2 3.4Å; S224-N238 VanDerWaalsContact OG-ND2 3.09Å; R227-N238 VanDerWaalsContact CD-OD1 3.24Å; R227-N238 WeakPolarHBondContact CD-OD1 3.49Å; R227-N238 PolarHBondContact NH1-OD1 2.94Å; F236-N238 PolarHBondContact O-N 2.92Å; F236-N238 VanDerWaalsContact O-N 3.12Å; N238-D311 VanDerWaalsContact CG-OD2 3.25Å; N238-D311 PolarHBondContact ND2-O 3.33Å; N238-D311 PolarHBondContact ND2-OD2 3.18Å; N238-D311 VanDerWaalsContact ND2-OD2 3.12Å; N238-N315 WeakPolarHBondContact CB-OD1 3.36Å; N238-N315 PolarHBondContact ND2-ND2 3.41Å; N238-N315 PolarHBondContact ND2-OD1 2.96Å
239R67.9Low60.9Low55 Ų5569.2 Ų69.221%0.20839%0.386CS..G310 helixtrans-101.73.2178.4-64.6-69.6175.9167.6-14.9114F236 A237 K241 S250 W251 L314 V317F236-R239 PolarHBondContact O-N 3.06Å; A237-R239 PolarHBondContact O-N 3.34Å; A237-R239 VanDerWaalsContact O-N 3.08Å; R239-K241 PolarHBondContact O-N 2.87Å; R239-S250 PolarHBondContact O-OG 2.52Å; R239-W251 HydrophobicContact CB-CE3 4.49Å; R239-W251 HydrophobicContact CB-CH2 4.36Å; R239-W251 HydrophobicContact CB-CZ3 3.77Å; R239-W251 HydrophobicContact CG-CH2 4.02Å; R239-W251 HydrophobicContact CG-CZ3 3.82Å; R239-L314 PolarHBondContact NH2-O 2.93Å; R239-V317 PolarHBondContact NH2-O 3.45Å
240C60.5Low61.3Low28 Ų2869.8 Ų69.819%0.18939%0.394CS..  trans-71.4116.1171.5-71.60000110.7A237 K248A237-C240 WeakPolarHBondContact O-CB 3.37Å; A237-C240 PolarHBondContact O-N 2.87Å; C240-K248 WeakPolarHBondContact CA-O 3.43Å
241K62.3Low62.1Low137 Ų13765 Ų6560%0.59637%0.368SS*.EExtended strand (participates in β ladder)trans-92.3131.8174.7-66.4-178.9-177.41760109.9R239 K243 K248R239-K241 PolarHBondContact O-N 2.87Å; K241-K243 PolarHBondContact O-N 3.17Å; K241-K248 PolarHBondContact N-O 2.88Å; K241-K248 PolarHBondContact O-N 2.98Å
242N54.8Low62.9Low114 Ų11466.4 Ų66.461%0.6138%0.379SS*.EExtended strand (participates in β ladder)trans-72111.2164.4-75.4-5.9000108.6R247N242-R247 WeakPolarHBondContact OD1-CG 3.14Å; N242-R247 PolarHBondContact OD1-NE 3Å
243K52.8Low64Low144 Ų14467.5 Ų67.563%0.62637%0.374SS*.EExtended strand (participates in β ladder)trans-120.7111.8167.5-76.4-168.5176.9-177.40109K241 G245 V246K241-K243 PolarHBondContact O-N 3.17Å; K243-G245 PolarHBondContact O-N 3.23Å; K243-V246 PolarHBondContact N-O 3Å; K243-V246 PolarHBondContact O-N 3.48Å
244G57.8Low65.1Low87 Ų8765.3 Ų65.390%0.89736%0.359SS*.THydrogen-bonded Turntrans64.635.4176.800000114.2V246G244-V246 PolarHBondContact O-N 3.18Å
245G60.6Low65.9Low77 Ų7765 Ų6579%0.79436%0.359SS*.THydrogen-bonded Turntrans82.6-13-178.800000115.1K243K243-G245 PolarHBondContact O-N 3.23Å
246V59.1Low66.1Low90 Ų9071.7 Ų71.755%0.54539%0.39SS..EExtended strand (participates in β ladder)trans-99.6125.1175-175.20000109.5K243 G244 K248K243-V246 PolarHBondContact N-O 3Å; K243-V246 PolarHBondContact O-N 3.48Å; G244-V246 PolarHBondContact O-N 3.18Å; V246-K248 PolarHBondContact O-N 3.4Å
247R57.3Low65.9Low136 Ų13674.1 Ų74.151%0.51340%0.403SS..EExtended strand (participates in β ladder)trans-69119.5169-83.4-177.8178.6-178.95.6108.8N231 N242N231-R247 VanDerWaalsContact CG-NH1 3.3Å; N231-R247 PolarHBondContact ND2-NH1 3.04Å; N231-R247 VanDerWaalsContact ND2-NH1 3.14Å; N231-R247 PolarHBondContact OD1-NH1 3.23Å; N242-R247 WeakPolarHBondContact OD1-CG 3.14Å; N242-R247 PolarHBondContact OD1-NE 3Å
248K63.9Low66Low135 Ų13574.1 Ų74.159%0.58740%0.402SS*.EExtended strand (participates in β ladder)trans-108.3117.3169.7-69.1-171.2176.5-172.70108.4C240 K241 V246C240-K248 WeakPolarHBondContact CA-O 3.43Å; K241-K248 PolarHBondContact N-O 2.88Å; K241-K248 PolarHBondContact O-N 2.98Å; V246-K248 PolarHBondContact O-N 3.4Å
249S70.8Confident66.2Low26 Ų2677.9 Ų77.918%0.18242%0.423CS..  trans-57.8145.6167179.30000109.5W251S249-W251 PolarHBondContact O-N 2.7Å; S249-W251 VanDerWaalsContact OG-C 3.24Å; S249-W251 PolarHBondContact OG-N 2.9Å; S249-W251 PolarHBondContact OG-O 3.09Å
250S72Confident66.6Low44 Ų4476.8 Ų76.831%0.30842%0.424SS..SBendtrans-61.6-24.3164.2-810000111.8R239R239-S250 PolarHBondContact O-OG 2.52Å
251W79.9Confident67.7Low1 Ų178.7 Ų78.70%0.00443%0.427CS..  trans-132.977.7-175.8-55.2-70.1000110.1F236 R239 S249 L254 A255 Y413 L416 E420F236-W251 HydrophobicContact CB-CE3 3.96Å; F236-W251 HydrophobicContact CB-CZ3 3.84Å; F236-W251 HydrophobicContact CG-CE3 4.33Å; F236-W251 HydrophobicContact CG-CZ3 4.27Å; R239-W251 HydrophobicContact CB-CE3 4.49Å; R239-W251 HydrophobicContact CB-CH2 4.36Å; R239-W251 HydrophobicContact CB-CZ3 3.77Å; R239-W251 HydrophobicContact CG-CH2 4.02Å; R239-W251 HydrophobicContact CG-CZ3 3.82Å; S249-W251 PolarHBondContact O-N 2.7Å; S249-W251 VanDerWaalsContact OG-C 3.24Å; S249-W251 PolarHBondContact OG-N 2.9Å; S249-W251 PolarHBondContact OG-O 3.09Å; W251-L254 HydrophobicContact CB-CB 4.01Å; W251-L254 HydrophobicContact CB-CD1 3.95Å; W251-L254 HydrophobicContact CB-CG 4.2Å; W251-L254 HydrophobicContact CG-CD1 4.19Å; W251-A255 WeakPolarHBondContact O-CB 3.43Å; W251-A255 PolarHBondContact O-N 3.43Å; W251-A255 VanDerWaalsContact O-N 3.07Å; W251-Y413 AromaticContact CH2-CD2 3.65Å; W251-Y413 HydrophobicContact CH2-CD2 3.65Å; W251-Y413 AromaticContact CH2-CE2 3.83Å; W251-Y413 HydrophobicContact CH2-CE2 3.83Å; W251-Y413 AromaticContact CZ2-CD2 3.53Å; W251-Y413 HydrophobicContact CZ2-CD2 3.53Å; W251-Y413 AromaticContact CZ2-CE2 3.56Å; W251-Y413 HydrophobicContact CZ2-CE2 3.56Å; W251-Y413 HydrophobicContact CZ2-CG 4.19Å; W251-L416 HydrophobicContact CD2-CB 4.14Å; W251-L416 HydrophobicContact CE3-CD1 4.46Å; W251-L416 HydrophobicContact CH2-CB 4.33Å; W251-L416 HydrophobicContact CH2-CD1 3.84Å; W251-L416 HydrophobicContact CZ2-CB 3.71Å; W251-L416 HydrophobicContact CZ2-CD1 4.08Å; W251-L416 HydrophobicContact CZ3-CD1 4.06Å; W251-E420 VanDerWaalsContact CA-OE2 3.25Å; W251-E420 WeakPolarHBondContact CA-OE2 3.47Å; W251-E420 HydrophobicContact CB-CB 4.49Å; W251-E420 HydrophobicContact CB-CG 4.35Å; W251-E420 WeakPolarHBondContact CB-OE2 3.09Å; W251-E420 HydrophobicContact CG-CB 4.45Å
252P74.6Confident68.7Low69 Ų6972.2 Ų72.245%0.44840%0.399SS..Hα-helixtrans-63.7-37.5-176.624.2-33.7000113.4A255 E256 E420P252-A255 PolarHBondContact O-N 3.22Å; P252-E256 PolarHBondContact O-N 2.93Å; P252-E256 VanDerWaalsContact O-N 3.15Å; P252-E420 WeakPolarHBondContact CD-OE1 3.19Å; P252-E420 WeakPolarHBondContact CG-OE1 3.45Å
253R74.7Confident70.3Confident141 Ų14168.7 Ų68.753%0.53238%0.382SS..Hα-helixtrans-65.1-45.8177.9-65.5168.7173.4179.4-4.8110.7A255 E256 L257 E420R253-A255 VanDerWaalsContact C-N 3.26Å; R253-A255 PolarHBondContact O-N 2.93Å; R253-E256 PolarHBondContact O-N 3.26Å; R253-L257 WeakPolarHBondContact O-CD1 3.39Å; R253-E420 WeakPolarHBondContact CB-OE1 3.3Å; R253-E420 WeakPolarHBondContact CB-OE2 3.4Å; R253-E420 WeakPolarHBondContact CD-O 3.49Å; R253-E420 VanDerWaalsContact CG-OE1 3.26Å; R253-E420 WeakPolarHBondContact CG-OE1 3.5Å; R253-E420 PolarHBondContact N-OE1 3.41Å; R253-E420 PolarHBondContact N-OE2 3.07Å; R253-E420 PolarHBondContact NH1-O 3.31Å
254L77.5Confident71.9Confident5 Ų562 Ų623%0.02635%0.353CS..Hα-helixtrans-63.8-33.3177.8-62.1-179.2000112.5A191 W251 E256 L257 S258 L416 M419 E420 Y425A191-L254 HydrophobicContact CB-CD2 4.26Å; W251-L254 HydrophobicContact CB-CB 4.01Å; W251-L254 HydrophobicContact CB-CD1 3.95Å; W251-L254 HydrophobicContact CB-CG 4.2Å; W251-L254 HydrophobicContact CG-CD1 4.19Å; L254-E256 VanDerWaalsContact C-N 3.35Å; L254-L257 PolarHBondContact O-N 3.17Å; L254-S258 PolarHBondContact O-N 2.84Å; L254-L416 HydrophobicContact CD1-CB 4.39Å; L254-L416 HydrophobicContact CD1-CD2 3.87Å; L254-M419 HydrophobicContact CD1-CB 4.33Å; L254-M419 HydrophobicContact CD2-CB 4.32Å; L254-M419 HydrophobicContact CD2-CE 4.21Å; L254-E420 PolarHBondContact N-OE2 3.46Å; L254-E420 VanDerWaalsContact N-OE2 3.13Å; L254-Y425 HydrophobicContact CD2-CD2 3.91Å; L254-Y425 HydrophobicContact CD2-CE1 4.44Å; L254-Y425 HydrophobicContact CD2-CE2 3.7Å; L254-Y425 HydrophobicContact CD2-CG 4.33Å
255A73.4Confident73.4Confident21 Ų2158.5 Ų58.517%0.17431%0.314CS..Hα-helixtrans-71.4-23.2176.400000114T234 W251 P252 R253 L257 S258T234-A255 HydrophobicContact CG2-CB 3.71Å; W251-A255 WeakPolarHBondContact O-CB 3.43Å; W251-A255 PolarHBondContact O-N 3.43Å; W251-A255 VanDerWaalsContact O-N 3.07Å; P252-A255 PolarHBondContact O-N 3.22Å; R253-A255 VanDerWaalsContact C-N 3.26Å; R253-A255 PolarHBondContact O-N 2.93Å; A255-L257 VanDerWaalsContact C-N 3.3Å; A255-S258 PolarHBondContact O-OG 3.42Å
256E68.4Low74.7Confident157 Ų15755.4 Ų55.473%0.73428%0.279SS*.Hα-helixtrans-73.3-27.2173.2-73173.3-173.300111.8P252 R253 L254P252-E256 PolarHBondContact O-N 2.93Å; P252-E256 VanDerWaalsContact O-N 3.15Å; R253-E256 PolarHBondContact O-N 3.26Å; L254-E256 VanDerWaalsContact C-N 3.35Å
257L66Low76.2Confident58 Ų5854.5 Ų54.530%0.30427%0.266SS..Hα-helixtrans-92.3-9.1-177-78.9135.2000114.3R253 L254 A255 N259 S260 Y425R253-L257 WeakPolarHBondContact O-CD1 3.39Å; L254-L257 PolarHBondContact O-N 3.17Å; A255-L257 VanDerWaalsContact C-N 3.3Å; L257-N259 PolarHBondContact O-N 3.15Å; L257-S260 PolarHBondContact O-N 3.15Å; L257-S260 PolarHBondContact O-OG 3.37Å; L257-Y425 HydrophobicContact CD1-CD1 4.22Å; L257-Y425 HydrophobicContact CD1-CE1 3.35Å; L257-Y425 HydrophobicContact CD2-CE1 4.21Å; L257-Y425 HydrophobicContact CG-CE1 4.28Å
258S66.9Low77.8Confident6 Ų648.1 Ų48.14%0.04224%0.242CC..THydrogen-bonded Turntrans-65.3-9.4-177.332.60000114.8S233 T234 L254 A255 S260S233-S258 VanDerWaalsContact O-CB 3.24Å; S233-S258 WeakPolarHBondContact O-CB 3.36Å; S233-S258 PolarHBondContact O-OG 3.21Å; T234-S258 WeakPolarHBondContact CA-OG 3.43Å; L254-S258 PolarHBondContact O-N 2.84Å; A255-S258 PolarHBondContact O-OG 3.42Å; S258-S260 VanDerWaalsContact C-N 3.31Å
259N68.2Low79.1Confident105 Ų10542.4 Ų42.456%0.56122%0.218SC*.THydrogen-bonded Turntrans-85.7-2.3171.4-65.6-17.6000113.5S233 L257S233-N259 WeakPolarHBondContact CA-OD1 3.26Å; S233-N259 WeakPolarHBondContact CB-OD1 3.3Å; L257-N259 PolarHBondContact O-N 3.15Å
260S77.6Confident80Confident32 Ų3246.8 Ų46.822%0.22423%0.231CC..  trans-106.3124.417661.80000109.7P189 Y190 L257 S258P189-S260 VanDerWaalsContact CA-O 3.26Å; P189-S260 WeakPolarHBondContact CA-O 3.4Å; Y190-S260 VanDerWaalsContact CD2-O 3.32Å; Y190-S260 WeakPolarHBondContact CD2-O 3.11Å; Y190-S260 WeakPolarHBondContact CD2-OG 3.43Å; Y190-S260 PolarHBondContact N-O 2.94Å; L257-S260 PolarHBondContact O-N 3.15Å; L257-S260 PolarHBondContact O-OG 3.37Å; S258-S260 VanDerWaalsContact C-N 3.31Å
261Y82.1Confident81Confident67 Ų6747.8 Ų47.826%0.26323%0.232SC..EExtended strand (participates in β ladder)trans-112.8150.8-175.9-66.7-99.2000109.9T187 P189 P288T187-Y261 HydrophobicContact CG2-CD1 4.35Å; P189-Y261 HydrophobicContact CG-CD1 3.65Å; P189-Y261 HydrophobicContact CG-CE1 3.41Å; P189-Y261 VanDerWaalsContact CG-CE1 3.41Å; P189-Y261 HydrophobicContact CG-CG 4.38Å; Y261-P288 HydrophobicContact CD1-CB 3.78Å; Y261-P288 HydrophobicContact CD1-CG 4.22Å; Y261-P288 HydrophobicContact CD2-CB 3.86Å; Y261-P288 HydrophobicContact CE1-CB 4.05Å; Y261-P288 HydrophobicContact CE1-CG 4.38Å; Y261-P288 HydrophobicContact CE2-CB 4.15Å; Y261-P288 HydrophobicContact CG-CB 3.68Å
262V85Confident81.6Confident1 Ų147.7 Ų47.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-134.8139.7172.359.70000108.9T187 V188 Y190 A193 I264 F432 E436T187-V262 WeakPolarHBondContact CA-O 3.48Å; V188-V262 PolarHBondContact N-O 2.65Å; V188-V262 PolarHBondContact O-N 3.04Å; V188-V262 VanDerWaalsContact O-O 3.13Å; Y190-V262 HydrophobicContact CD1-CB 4.34Å; Y190-V262 HydrophobicContact CD1-CG1 4.07Å; Y190-V262 HydrophobicContact CE1-CB 3.94Å; Y190-V262 HydrophobicContact CE1-CG1 4.18Å; Y190-V262 HydrophobicContact CE1-CG2 4.42Å; Y190-V262 HydrophobicContact CE2-CB 4.32Å; Y190-V262 HydrophobicContact CG-CG1 4.34Å; A193-V262 HydrophobicContact CB-CG1 3.57Å; V262-I264 HydrophobicContact CG1-CG2 4.08Å; V262-I264 HydrophobicContact CG2-CG2 4.01Å; V262-F432 HydrophobicContact CG1-CD1 4.34Å; V262-F432 HydrophobicContact CG1-CG 4.45Å; V262-F432 HydrophobicContact CG2-CB 4.28Å; V262-E436 HydrophobicContact CG2-CG 4.37Å
263T87.6Confident82.5Confident40 Ų4044.6 Ų44.625%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-89.5123170.4-630000108.7H185 I186 T187 I440H185-T263 HydrophobicContact CB-CG2 3.95Å; I186-T263 CarbonylContact O-C 3.59Å; I186-T263 WeakPolarHBondContact O-CA 3.43Å; T187-T263 PolarHBondContact OG1-OG1 3.42Å; T263-I440 VanDerWaalsContact O-CD1 3.26Å; T263-I440 WeakPolarHBondContact O-CD1 3.46Å
264I87.2Confident83.4Confident3 Ų339.2 Ų39.22%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-124.3146.1-179.958.9168.5000111.1I186 V188 A193 T197 V262 M266 F432I186-I264 HydrophobicContact CD1-CD1 4.13Å; I186-I264 HydrophobicContact CD1-CG1 4.14Å; I186-I264 HydrophobicContact CG1-CD1 4.16Å; I186-I264 HydrophobicContact CG1-CG1 3.59Å; I186-I264 PolarHBondContact N-O 3.4Å; I186-I264 PolarHBondContact O-N 2.86Å; V188-I264 HydrophobicContact CG2-CD1 4.12Å; V188-I264 HydrophobicContact CG2-CG1 4.3Å; A193-I264 HydrophobicContact CB-CD1 4.13Å; A193-I264 HydrophobicContact CB-CG2 4.49Å; T197-I264 HydrophobicContact CG2-CD1 3.58Å; V262-I264 HydrophobicContact CG1-CG2 4.08Å; V262-I264 HydrophobicContact CG2-CG2 4.01Å; I264-M266 HydrophobicContact CD1-CE 3.68Å; I264-F432 HydrophobicContact CG2-CD1 3.9Å; I264-F432 HydrophobicContact CG2-CE1 3.97Å
265P88.2Confident84.1Confident15 Ų1540.8 Ų40.810%0.09721%0.205CC..EExtended strand (participates in β ladder)trans-76.4131.5171.132.8-32.8000109.8L183 W361 I440 P441L183-P265 HydrophobicContact CD1-CB 4.03Å; P265-W361 HydrophobicContact CG-CH2 4.35Å; P265-W361 HydrophobicContact CG-CZ3 4.35Å; P265-I440 HydrophobicContact CB-CG2 3.73Å; P265-I440 HydrophobicContact CG-CG2 3.74Å; P265-P441 HydrophobicContact CB-CG 3.96Å; P265-P441 HydrophobicContact CG-CG 4.25Å
266M89.4Confident85.1Confident12 Ų1239.8 Ų39.86%0.05920%0.197CC..EExtended strand (participates in β ladder)trans-130.9134.5-177.9-168.764.472.400110.6L183 A184 I186 F196 T197 I205 I264 F268L183-M266 WeakPolarHBondContact CA-O 3.25Å; A184-M266 PolarHBondContact N-O 3.36Å; A184-M266 PolarHBondContact O-N 3.4Å; I186-M266 HydrophobicContact CD1-CB 4.06Å; I186-M266 HydrophobicContact CD1-CE 3.58Å; I186-M266 HydrophobicContact CD1-CG 4.2Å; I186-M266 HydrophobicContact CG1-CB 4.17Å; I186-M266 HydrophobicContact CG1-CE 4.48Å; I186-M266 HydrophobicContact CG2-CB 4.4Å; F196-M266 HydrophobicContact CB-CE 3.58Å; F196-M266 HydrophobicContact CD2-CE 4.34Å; F196-M266 HydrophobicContact CG-CE 4.28Å; T197-M266 HydrophobicContact CG2-CE 4.22Å; I205-M266 HydrophobicContact CD1-CE 4.17Å; I205-M266 HydrophobicContact CD1-CG 4.35Å; I205-M266 HydrophobicContact CD1-SD 3.43Å; I205-M266 WeakPolarHBondContact CD1-SD 3.42Å; I264-M266 HydrophobicContact CD1-CE 3.68Å; M266-F268 HydrophobicContact CB-CE2 3.63Å; M266-F268 HydrophobicContact CB-CZ 3.91Å; M266-F268 HydrophobicContact CG-CD2 4.37Å; M266-F268 HydrophobicContact CG-CE1 4.13Å; M266-F268 HydrophobicContact CG-CE2 3.58Å; M266-F268 HydrophobicContact CG-CZ 3.43Å; M266-F268 VanDerWaalsContact CG-CZ 3.43Å
267R89.1Confident86.1Confident71 Ų7136 Ų3627%0.26818%0.175SC..EExtended strand (participates in β ladder)trans-97.6132.4178.6-71.2-174.5176.390.20.8111Q39 H182 L183Q39-R267 PolarHBondContact NE2-O 3.46Å; H182-R267 WeakPolarHBondContact O-CA 3.49Å; L183-R267 HydrophobicContact CD1-CG 3.65Å
268F91.4Very high87.3Confident1 Ų137.1 Ų37.10%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-124151.5179.3-61.5-86.5000111.1Q39 H182 A184 I186 I205 I209 M266 Y273 L276 L306Q39-F268 VanDerWaalsContact CG-C 3.45Å; H182-F268 PolarHBondContact N-O 3.45Å; H182-F268 PolarHBondContact O-N 2.89Å; A184-F268 HydrophobicContact CB-CD2 4.2Å; A184-F268 HydrophobicContact CB-CE2 4.03Å; I186-F268 HydrophobicContact CG2-CE2 4.42Å; I186-F268 HydrophobicContact CG2-CZ 4.28Å; I205-F268 HydrophobicContact CG2-CD1 4.33Å; I205-F268 HydrophobicContact CG2-CE1 3.77Å; I209-F268 HydrophobicContact CD1-CD1 4.33Å; I209-F268 HydrophobicContact CD1-CE1 4.26Å; M266-F268 HydrophobicContact CB-CE2 3.63Å; M266-F268 HydrophobicContact CB-CZ 3.91Å; M266-F268 HydrophobicContact CG-CD2 4.37Å; M266-F268 HydrophobicContact CG-CE1 4.13Å; M266-F268 HydrophobicContact CG-CE2 3.58Å; M266-F268 HydrophobicContact CG-CZ 3.43Å; M266-F268 VanDerWaalsContact CG-CZ 3.43Å; F268-Y273 HydrophobicContact CB-CD2 4.48Å; F268-Y273 AromaticContact CD2-CD2 3.9Å; F268-Y273 HydrophobicContact CD2-CD2 3.9Å; F268-Y273 HydrophobicContact CE2-CD2 4.37Å; F268-Y273 HydrophobicContact CG-CD2 4.21Å; F268-L276 HydrophobicContact CE1-CD2 4.17Å; F268-L276 HydrophobicContact CZ-CD2 4.3Å; F268-L306 HydrophobicContact CE1-CD1 4.47Å; F268-L306 HydrophobicContact CZ-CD1 4.16Å
269N91Very high88.4Confident15 Ų1537.5 Ų37.58%0.0819%0.19CC..  trans-64140.7156.6178.6-70.9000106.8Q39 L271 R272 Y273Q39-N269 HydrophobicContact CG-CB 4.1Å; Q39-N269 WeakPolarHBondContact O-CB 3.16Å; Q39-N269 PolarHBondContact O-ND2 2.91Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.96Å; N269-L271 WeakPolarHBondContact OD1-CB 3.22Å; N269-L271 PolarHBondContact OD1-N 3.31Å; N269-R272 HydrophobicContact CB-CB 4.11Å; N269-R272 HydrophobicContact CB-CG 3.93Å; N269-R272 WeakPolarHBondContact O-CA 3.42Å; N269-R272 WeakPolarHBondContact O-CB 3.44Å; N269-R272 PolarHBondContact O-N 2.74Å; N269-Y273 PolarHBondContact O-N 3.41Å
270R90.8Very high89.1Confident119 Ų11934.9 Ų34.945%0.44918%0.178SC..Hα-helixtrans-55.4-43.1-177.9-77.4-177.3177.3177.5-2.7112.2H182 R272 Y273 A274 W448H182-R270 HydrophobicContact CB-CG 4.14Å; R270-R272 VanDerWaalsContact C-N 3.31Å; R270-R272 PolarHBondContact O-N 3.32Å; R270-Y273 WeakPolarHBondContact O-CB 3.29Å; R270-Y273 PolarHBondContact O-N 2.92Å; R270-A274 WeakPolarHBondContact O-CB 3.46Å; R270-A274 PolarHBondContact O-N 3Å; R270-W448 HydrophobicContact CB-CH2 3.67Å; R270-W448 HydrophobicContact CB-CZ2 4.02Å; R270-W448 HydrophobicContact CB-CZ3 4.12Å; R270-W448 HydrophobicContact CG-CH2 4.15Å; R270-W448 HydrophobicContact CG-CZ2 4.01Å; R270-W448 VanDerWaalsContact O-CH2 3.29Å; R270-W448 WeakPolarHBondContact O-CH2 3.48Å
271L92Very high89Confident64 Ų6435.4 Ų35.434%0.33518%0.181SC..Hα-helixtrans-65.4-35.4177.8-63.7173.7000111.9Y41 E67 N269 A274 L275Y41-L271 HydrophobicContact CD2-CB 3.89Å; Y41-L271 HydrophobicContact CD2-CD1 4.48Å; Y41-L271 HydrophobicContact CE2-CB 3.82Å; E67-L271 HydrophobicContact CB-CD1 4.37Å; E67-L271 WeakPolarHBondContact O-CD1 3.38Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.96Å; N269-L271 WeakPolarHBondContact OD1-CB 3.22Å; N269-L271 PolarHBondContact OD1-N 3.31Å; L271-A274 PolarHBondContact O-N 2.9Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.39Å
272R92.1Very high88.2Confident0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-66.9-40.3174.5-70.7-59-164.317213.3112.8Y41 I209 D210 N269 R270 L276Y41-R272 HydrophobicContact CD2-CG 3.78Å; Y41-R272 HydrophobicContact CE2-CG 4.01Å; Y41-R272 PolarHBondContact O-NE 2.94Å; Y41-R272 PolarHBondContact O-NH2 2.88Å; I209-R272 HydrophobicContact CD1-CB 4.3Å; D210-R272 VanDerWaalsContact CG-NH1 3.29Å; D210-R272 VanDerWaalsContact CG-NH2 3.35Å; D210-R272 IonicContact OD1-CZ 3.93Å; D210-R272 IonicContact OD1-NH1 3.62Å; D210-R272 PolarHBondContact OD1-NH1 3.06Å; D210-R272 IonicContact OD1-NH2 3.53Å; D210-R272 PolarHBondContact OD1-NH2 3.44Å; D210-R272 IonicContact OD2-CZ 3.11Å; D210-R272 IonicContact OD2-NH1 3.73Å; D210-R272 IonicContact OD2-NH2 3.54Å; D210-R272 PolarHBondContact OD2-NH2 3.25Å; N269-R272 HydrophobicContact CB-CB 4.11Å; N269-R272 HydrophobicContact CB-CG 3.93Å; N269-R272 WeakPolarHBondContact O-CA 3.42Å; N269-R272 WeakPolarHBondContact O-CB 3.44Å; N269-R272 PolarHBondContact O-N 2.74Å; R270-R272 VanDerWaalsContact C-N 3.31Å; R270-R272 PolarHBondContact O-N 3.32Å; R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.1Å
273Y94Very high87.3Confident4 Ų436 Ų362%0.01619%0.194CC..Hα-helixtrans-63.2-48.6173.9-173.2-102.6000111.5H182 A184 F268 N269 R270 L275 L276 R277 L302 E446 W448 M449H182-Y273 AromaticContact CD2-CD1 3.39Å; H182-Y273 WeakPolarHBondContact CD2-CD1 3.25Å; H182-Y273 AromaticContact CD2-CD2 3.38Å; H182-Y273 WeakPolarHBondContact CD2-CD2 3.4Å; H182-Y273 AromaticContact CD2-CE1 3.67Å; H182-Y273 AromaticContact CD2-CE2 3.67Å; H182-Y273 AromaticContact CD2-CG 3.22Å; H182-Y273 AromaticContact CD2-CZ 3.78Å; H182-Y273 AromaticContact NE2-CD1 3.46Å; H182-Y273 WeakPolarHBondContact NE2-CD1 3.22Å; H182-Y273 AromaticContact NE2-CD2 3.83Å; H182-Y273 AromaticContact NE2-CE1 3.22Å; H182-Y273 WeakPolarHBondContact NE2-CE1 3.45Å; H182-Y273 AromaticContact NE2-CE2 3.62Å; H182-Y273 AromaticContact NE2-CG 3.74Å; H182-Y273 AromaticContact NE2-CZ 3.29Å; H182-Y273 VanDerWaalsContact NE2-CZ 3.29Å; A184-Y273 HydrophobicContact CB-CD2 4Å; A184-Y273 HydrophobicContact CB-CE2 3.33Å; F268-Y273 HydrophobicContact CB-CD2 4.48Å; F268-Y273 AromaticContact CD2-CD2 3.9Å; F268-Y273 HydrophobicContact CD2-CD2 3.9Å; F268-Y273 HydrophobicContact CE2-CD2 4.37Å; F268-Y273 HydrophobicContact CG-CD2 4.21Å; N269-Y273 PolarHBondContact O-N 3.41Å; R270-Y273 WeakPolarHBondContact O-CB 3.29Å; R270-Y273 PolarHBondContact O-N 2.92Å; Y273-L275 VanDerWaalsContact C-N 3.32Å; Y273-L275 PolarHBondContact O-N 2.87Å; Y273-L276 PolarHBondContact O-N 2.79Å; Y273-R277 WeakPolarHBondContact O-CB 3.47Å; Y273-R277 PolarHBondContact O-N 3.22Å; Y273-L302 HydrophobicContact CE2-CD1 3.75Å; Y273-L302 HydrophobicContact CE2-CD2 4.4Å; Y273-E446 HydrophobicContact CE1-CG 4.19Å; Y273-E446 VanDerWaalsContact CE1-OE1 3.23Å; Y273-E446 WeakPolarHBondContact CE1-OE1 3.32Å; Y273-E446 VanDerWaalsContact CZ-OE1 3.23Å; Y273-E446 PolarHBondContact OH-OE1 3.32Å; Y273-W448 HydrophobicContact CD1-CZ2 4.11Å; Y273-M449 HydrophobicContact CD1-SD 3.7Å; Y273-M449 HydrophobicContact CE1-SD 3.59Å; Y273-M449 VanDerWaalsContact CE1-SD 3.59Å
274A93Very high85.9Confident27 Ų2737.9 Ų37.922%0.22322%0.221CC..Hα-helixtrans-57.9-45177.500000111.9R270 L271 R277 S278 W448 M449R270-A274 WeakPolarHBondContact O-CB 3.46Å; R270-A274 PolarHBondContact O-N 3Å; L271-A274 PolarHBondContact O-N 2.9Å; A274-R277 PolarHBondContact O-N 3.28Å; A274-S278 WeakPolarHBondContact O-CB 3.39Å; A274-S278 PolarHBondContact O-N 3.02Å; A274-S278 PolarHBondContact O-OG 2.81Å; A274-W448 HydrophobicContact CB-CH2 4.07Å; A274-M449 HydrophobicContact CB-CE 4.17Å
275L93.2Very high84.5Confident39 Ų3940.3 Ų40.320%0.20423%0.232CC..Hα-helixtrans-59.7-50174.917961.7000111.2I209 A213 L271 Y273 R277 S278 L279I209-L275 HydrophobicContact CG2-CD2 3.76Å; I209-L275 HydrophobicContact CG2-CG 4.09Å; A213-L275 HydrophobicContact CB-CD1 4.49Å; A213-L275 HydrophobicContact CB-CD2 4.41Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.39Å; Y273-L275 VanDerWaalsContact C-N 3.32Å; Y273-L275 PolarHBondContact O-N 2.87Å; L275-R277 PolarHBondContact O-N 2.76Å; L275-S278 PolarHBondContact O-N 3.27Å; L275-S278 VanDerWaalsContact O-N 3.13Å; L275-S278 PolarHBondContact O-OG 3.38Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.23Å; L275-L279 PolarHBondContact O-N 2.89Å; L275-L279 VanDerWaalsContact O-N 3.08Å
276L93.3Very high82.9Confident0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-58.7-38178.3-177.661.2000112.1I209 F268 R272 Y273 L302 K305 L306I209-L276 HydrophobicContact CD1-CB 4.48Å; I209-L276 HydrophobicContact CG1-CD1 4.37Å; F268-L276 HydrophobicContact CE1-CD2 4.17Å; F268-L276 HydrophobicContact CZ-CD2 4.3Å; R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.1Å; Y273-L276 PolarHBondContact O-N 2.79Å; L276-L302 HydrophobicContact CD2-CB 4.41Å; L276-L302 HydrophobicContact CD2-CD2 3.91Å; L276-L302 HydrophobicContact CG-CD2 3.88Å; L276-K305 HydrophobicContact CD1-CB 3.6Å; L276-K305 HydrophobicContact CD1-CD 4Å; L276-K305 HydrophobicContact CD1-CG 4.43Å; L276-K305 HydrophobicContact CG-CD 4.47Å; L276-K305 VanDerWaalsContact O-CD 3.32Å; L276-K305 WeakPolarHBondContact O-CD 3.46Å; L276-K305 PolarHBondContact O-NZ 3.09Å; L276-L306 HydrophobicContact CD1-CD2 4.35Å; L276-L306 HydrophobicContact CD1-CG 4.44Å; L276-L306 HydrophobicContact CD2-CD1 4.28Å; L276-L306 HydrophobicContact CD2-CD2 4.1Å; L276-L306 HydrophobicContact CD2-CG 4.02Å
277R91Very high81.4Confident76 Ų7651.4 Ų51.429%0.28728%0.282SS..Hα-helixtrans-69.3-38.6176.9-165.865.7170.6110.12.2112.2Y273 A274 L275 L279 L298 E301 K305 E446 M449Y273-R277 WeakPolarHBondContact O-CB 3.47Å; Y273-R277 PolarHBondContact O-N 3.22Å; A274-R277 PolarHBondContact O-N 3.28Å; L275-R277 PolarHBondContact O-N 2.76Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-L298 VanDerWaalsContact CZ-CD1 3.45Å; R277-E301 IonicContact NH1-OE1 2.88Å; R277-E301 PolarHBondContact NH1-OE1 3.39Å; R277-E301 IonicContact NH1-OE2 3.8Å; R277-E301 PolarHBondContact NH1-OE2 2.88Å; R277-K305 PolarHBondContact O-NZ 3.32Å; R277-E446 IonicContact NE-OE1 3.94Å; R277-M449 HydrophobicContact CB-CE 3.78Å; R277-M449 HydrophobicContact CG-CE 3.79Å
278S90Very high80.1Confident83 Ų8348.5 Ų48.558%0.5827%0.273SS*.Hα-helixtrans-73.5-22.8-179.867.40000113.7A274 L275A274-S278 WeakPolarHBondContact O-CB 3.39Å; A274-S278 PolarHBondContact O-N 3.02Å; A274-S278 PolarHBondContact O-OG 2.81Å; L275-S278 PolarHBondContact O-N 3.27Å; L275-S278 VanDerWaalsContact O-N 3.13Å; L275-S278 PolarHBondContact O-OG 3.38Å
279L90Very high78.4Confident14 Ų1454.5 Ų54.57%0.07331%0.312CS..SBendtrans-63.2142.4174.4-65.8168.8000110.2L212 A213 I216 L275 R277 K305L212-L279 HydrophobicContact CB-CD1 4.44Å; L212-L279 HydrophobicContact CD2-CD1 3.71Å; L212-L279 HydrophobicContact CG-CD1 3.96Å; A213-L279 HydrophobicContact CB-CD1 4.35Å; A213-L279 HydrophobicContact CB-CD2 3.98Å; I216-L279 HydrophobicContact CD1-CB 4.23Å; I216-L279 HydrophobicContact CD1-CD2 3.86Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.23Å; L275-L279 PolarHBondContact O-N 2.89Å; L275-L279 VanDerWaalsContact O-N 3.08Å; R277-L279 VanDerWaalsContact C-N 3.33Å; L279-K305 WeakPolarHBondContact O-CE 3.47Å; L279-K305 PolarHBondContact O-NZ 3.39Å
280P82.7Confident76.8Confident49 Ų4955.4 Ų55.432%0.31832%0.317SS..PPolyproline II helixtrans-60.9142.5-179.825.9-36.3000111.8I216 W225 Y622I216-P280 VanDerWaalsContact CD1-CD 3.41Å; I216-P280 HydrophobicContact CD1-CG 3.49Å; I216-P280 VanDerWaalsContact CD1-CG 3.49Å; I216-P280 HydrophobicContact CG1-CG 3.86Å; W225-P280 HydrophobicContact CH2-CG 4.28Å; P280-Y622 HydrophobicContact CB-CE1 3.83Å
281T75.8Confident75.3Confident44 Ų4455.7 Ų55.727%0.2733%0.327SS..PPolyproline II helixtrans-88123.8175.3-55.80000109.4S283 E301 K305T281-S283 PolarHBondContact O-N 3.36Å; T281-E301 HydrophobicContact CG2-CB 4.1Å; T281-E301 HydrophobicContact CG2-CG 3.55Å; T281-E301 VanDerWaalsContact OG1-CG 3.31Å; T281-E301 WeakPolarHBondContact OG1-CG 3.17Å; T281-E301 PolarHBondContact OG1-OE1 3.5Å; T281-E301 PolarHBondContact OG1-OE2 3.37Å; T281-K305 VanDerWaalsContact OG1-CE 3.26Å; T281-K305 WeakPolarHBondContact OG1-CE 3.41Å; T281-K305 PolarHBondContact OG1-NZ 3.03Å
282P66.8Low74Confident8 Ų859.1 Ų59.15%0.05235%0.346CS..PPolyproline II helixtrans-59.5122.1175.1-16.927.2000110.2F229 L304 I308F229-P282 HydrophobicContact CE1-CB 4.36Å; F229-P282 HydrophobicContact CE2-CB 3.99Å; F229-P282 HydrophobicContact CZ-CB 3.39Å; P282-L304 HydrophobicContact CB-CD2 4.08Å; P282-L304 HydrophobicContact CG-CD2 3.98Å; P282-L304 HydrophobicContact CG-CG 4.26Å; P282-I308 HydrophobicContact CG-CD1 3.53Å
283S65.3Low73.3Confident72 Ų7263.3 Ų63.350%0.50337%0.368SS..SBendtrans-88.4148.3176.3-66.40000110.7F229 T281F229-S283 WeakPolarHBondContact CE1-O 3.48Å; F229-S283 VanDerWaalsContact CZ-O 3.31Å; F229-S283 WeakPolarHBondContact CZ-O 3.43Å; T281-S283 PolarHBondContact O-N 3.36Å
284G58Low72.7Confident79 Ų7964.4 Ų64.481%0.81438%0.378SS*.SBendtrans94.96.4174.900000116.7
285F57.5Low72.1Confident54 Ų5465.8 Ų65.824%0.23739%0.386CS..  trans-76.6137.9171.5-151.9-103.9000109.2F229 Q287 L304F229-F285 HydrophobicContact CD1-CB 4.5Å; F229-F285 AromaticContact CD1-CD2 3.85Å; F229-F285 HydrophobicContact CD1-CD2 3.85Å; F229-F285 HydrophobicContact CE1-CB 3.94Å; F229-F285 AromaticContact CE1-CD2 3.91Å; F229-F285 HydrophobicContact CE1-CD2 3.91Å; F229-F285 HydrophobicContact CE1-CG 4.44Å; F285-Q287 PolarHBondContact O-N 2.88Å; F285-L304 HydrophobicContact CB-CD2 4.15Å; F285-L304 HydrophobicContact CD1-CD2 4.5Å; F285-L304 HydrophobicContact CD2-CD1 4.26Å; F285-L304 HydrophobicContact CD2-CD2 4.43Å; F285-L304 HydrophobicContact CE2-CD1 4.17Å; F285-L304 HydrophobicContact CG-CD2 4.13Å; F285-L304 HydrophobicContact CZ-CD1 4.33Å
286E54.5Low71.6Confident162 Ų16265.1 Ų65.176%0.75738%0.384SS*.  trans-63.996.8155.4-80.7-173.9178.500105.4
287Q58.2Low71.2Confident98 Ų9867.7 Ų67.746%0.45839%0.394SS..  trans-48.5142.6174.8-70.7-178.2-13.200108F285 N290F285-Q287 PolarHBondContact O-N 2.88Å; Q287-N290 WeakPolarHBondContact CB-ND2 3.39Å; Q287-N290 PolarHBondContact OE1-ND2 2.89Å
288P61.3Low71Confident10 Ų1065.9 Ų65.97%0.06539%0.39CS..SBendtrans-45144.7166.723.5-34.2000107.8T187 Y261 N290 A300T187-P288 HydrophobicContact CG2-CB 4.19Å; T187-P288 HydrophobicContact CG2-CG 3.88Å; Y261-P288 HydrophobicContact CD1-CB 3.78Å; Y261-P288 HydrophobicContact CD1-CG 4.22Å; Y261-P288 HydrophobicContact CD2-CB 3.86Å; Y261-P288 HydrophobicContact CE1-CB 4.05Å; Y261-P288 HydrophobicContact CE1-CG 4.38Å; Y261-P288 HydrophobicContact CE2-CB 4.15Å; Y261-P288 HydrophobicContact CG-CB 3.68Å; P288-N290 VanDerWaalsContact C-N 3.31Å; P288-N290 WeakPolarHBondContact O-CA 3.44Å; P288-N290 WeakPolarHBondContact O-CB 3.44Å; P288-N290 VanDerWaalsContact O-CG 3.25Å; P288-N290 PolarHBondContact O-N 3.35Å; P288-N290 PolarHBondContact O-OD1 2.71Å; P288-A300 HydrophobicContact CG-CB 3.65Å
289P56.5Low71Confident128 Ų12862 Ų6283%0.83136%0.363SS*.SBendtrans-47.2102.5-175.118.4-30.9000108.5
290N57.5Low70.9Confident34 Ų3461.6 Ų61.618%0.18236%0.362CS..  trans-96.6125-173-93-22.7000104.4Q287 P288 S296 R297Q287-N290 WeakPolarHBondContact CB-ND2 3.39Å; Q287-N290 PolarHBondContact OE1-ND2 2.89Å; P288-N290 VanDerWaalsContact C-N 3.31Å; P288-N290 WeakPolarHBondContact O-CA 3.44Å; P288-N290 WeakPolarHBondContact O-CB 3.44Å; P288-N290 VanDerWaalsContact O-CG 3.25Å; P288-N290 PolarHBondContact O-N 3.35Å; P288-N290 PolarHBondContact O-OD1 2.71Å; N290-S296 PolarHBondContact OD1-O 2.89Å; N290-S296 PolarHBondContact OD1-OG 2.95Å; N290-R297 HydrophobicContact CB-CG 4.41Å
291D59Low71.1Confident125 Ų12560.8 Ų60.867%0.66835%0.354SS*.  trans-54150.9159.7-67-35.2000107.8L293D291-L293 HydrophobicContact CB-CB 4.45Å; D291-L293 PolarHBondContact O-N 3.11Å
292D64.4Low71.9Confident136 Ų13658.8 Ų58.873%0.72734%0.341SS*.SBendtrans-58.1-7-177.6-72.5-42000113.1R297D292-R297 PolarHBondContact O-NH2 2.88Å
293L78.3Confident73Confident87 Ų8758.4 Ų58.446%0.45534%0.339SS..  trans-65.8133.8-179.5-156.465.9000113.8D291 S295 S296 R297 E718D291-L293 HydrophobicContact CB-CB 4.45Å; D291-L293 PolarHBondContact O-N 3.11Å; L293-S295 VanDerWaalsContact C-N 3.3Å; L293-S295 WeakPolarHBondContact CD2-OG 3.3Å; L293-S295 VanDerWaalsContact CG-OG 3.28Å; L293-S295 WeakPolarHBondContact CG-OG 3.15Å; L293-S295 PolarHBondContact O-N 2.72Å; L293-S296 PolarHBondContact O-N 3.29Å; L293-R297 PolarHBondContact O-N 3.02Å; L293-E718 WeakPolarHBondContact CD1-OE1 3.35Å; L293-E718 WeakPolarHBondContact CG-OE1 3.49Å
294A80.6Confident74Confident27 Ų2756.2 Ų56.222%0.22332%0.321CS..Hα-helixtrans-62.2-36.4-179.300000112.7R297 L298 L715A294-R297 PolarHBondContact O-N 3.49Å; A294-L298 PolarHBondContact O-N 3.37Å; A294-L715 HydrophobicContact CB-CD2 3.77Å
295S81Confident75.5Confident57 Ų5752.5 Ų52.540%0.39928%0.283SS..Hα-helixtrans-64.6-37.6178.154.70000113L293 R297 L298 G299L293-S295 VanDerWaalsContact C-N 3.3Å; L293-S295 WeakPolarHBondContact CD2-OG 3.3Å; L293-S295 VanDerWaalsContact CG-OG 3.28Å; L293-S295 WeakPolarHBondContact CG-OG 3.15Å; L293-S295 PolarHBondContact O-N 2.72Å; S295-R297 VanDerWaalsContact C-N 3.35Å; S295-L298 PolarHBondContact O-N 2.67Å; S295-G299 PolarHBondContact O-N 3.5Å
296S82.8Confident77.1Confident24 Ų2450 Ų5017%0.16827%0.272CS..Hα-helixtrans-63.2-42.4173.6-168.40000111.2N290 L293 L298 G299 A300N290-S296 PolarHBondContact OD1-O 2.89Å; N290-S296 PolarHBondContact OD1-OG 2.95Å; L293-S296 PolarHBondContact O-N 3.29Å; S296-L298 VanDerWaalsContact C-N 3.35Å; S296-L298 PolarHBondContact O-N 3.25Å; S296-G299 PolarHBondContact O-N 3.26Å; S296-A300 WeakPolarHBondContact O-CB 3.32Å; S296-A300 PolarHBondContact O-N 3.3Å
297R83.6Confident78.7Confident55 Ų5542.6 Ų42.621%0.20824%0.238CC..Hα-helixtrans-63.8-41177.5-59-174.7-153.9176.215.2111.9N290 D292 L293 A294 S295 A300 E301 E714N290-R297 HydrophobicContact CB-CG 4.41Å; D292-R297 PolarHBondContact O-NH2 2.88Å; L293-R297 PolarHBondContact O-N 3.02Å; A294-R297 PolarHBondContact O-N 3.49Å; S295-R297 VanDerWaalsContact C-N 3.35Å; R297-A300 PolarHBondContact O-N 3.28Å; R297-E301 PolarHBondContact O-N 3.42Å; R297-E714 IonicContact NH2-OE2 3.35Å; R297-E714 PolarHBondContact NH2-OE2 3.04Å
298L88.1Confident80.1Confident37 Ų3738 Ų3819%0.19422%0.217CC..Hα-helixtrans-62.8-46.4174.917960000111.3R277 A294 S295 S296 A300 E301 L302R277-L298 VanDerWaalsContact CZ-CD1 3.45Å; A294-L298 PolarHBondContact O-N 3.37Å; S295-L298 PolarHBondContact O-N 2.67Å; S296-L298 VanDerWaalsContact C-N 3.35Å; S296-L298 PolarHBondContact O-N 3.25Å; L298-A300 VanDerWaalsContact C-N 3.3Å; L298-A300 PolarHBondContact O-N 3.28Å; L298-E301 WeakPolarHBondContact O-CB 3.45Å; L298-E301 PolarHBondContact O-N 2.94Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.13Å; L298-L302 HydrophobicContact CG-CD1 4.1Å; L298-L302 HydrophobicContact CG-CG 4.47Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.45Å
299G89.9Confident81.5Confident2 Ų237.6 Ų37.62%0.02121%0.214CC..Hα-helixtrans-59.9-40.2177.100000112.9H185 T187 S295 S296 G303H185-G299 VanDerWaalsContact O-CA 3.26Å; H185-G299 WeakPolarHBondContact O-CA 3.37Å; T187-G299 PolarHBondContact N-O 3.3Å; S295-G299 PolarHBondContact O-N 3.5Å; S296-G299 PolarHBondContact O-N 3.26Å; G299-G303 PolarHBondContact O-N 3.07Å
300A86.6Confident83.1Confident5 Ų531.5 Ų31.54%0.04117%0.174CC..Hα-helixtrans-64.8-41.9173.800000113P288 S296 R297 L298 L304P288-A300 HydrophobicContact CG-CB 3.65Å; S296-A300 WeakPolarHBondContact O-CB 3.32Å; S296-A300 PolarHBondContact O-N 3.3Å; R297-A300 PolarHBondContact O-N 3.28Å; L298-A300 VanDerWaalsContact C-N 3.3Å; L298-A300 PolarHBondContact O-N 3.28Å; A300-L304 VanDerWaalsContact O-CB 3.31Å; A300-L304 WeakPolarHBondContact O-CB 3.5Å; A300-L304 PolarHBondContact O-N 2.92Å
301E87.3Confident84.4Confident33 Ų3329.9 Ų29.915%0.15417%0.165CC..Hα-helixtrans-60.2-52175.7164.2179.3153.700111.6R277 T281 R297 L298 G303 L304 K305R277-E301 IonicContact NH1-OE1 2.88Å; R277-E301 PolarHBondContact NH1-OE1 3.39Å; R277-E301 IonicContact NH1-OE2 3.8Å; R277-E301 PolarHBondContact NH1-OE2 2.88Å; T281-E301 HydrophobicContact CG2-CB 4.1Å; T281-E301 HydrophobicContact CG2-CG 3.55Å; T281-E301 VanDerWaalsContact OG1-CG 3.31Å; T281-E301 WeakPolarHBondContact OG1-CG 3.17Å; T281-E301 PolarHBondContact OG1-OE1 3.5Å; T281-E301 PolarHBondContact OG1-OE2 3.37Å; R297-E301 PolarHBondContact O-N 3.42Å; L298-E301 WeakPolarHBondContact O-CB 3.45Å; L298-E301 PolarHBondContact O-N 2.94Å; E301-G303 VanDerWaalsContact C-N 3.33Å; E301-G303 PolarHBondContact O-N 2.97Å; E301-L304 PolarHBondContact O-N 2.88Å; E301-K305 HydrophobicContact CG-CD 4.28Å; E301-K305 WeakPolarHBondContact O-CG 3.12Å; E301-K305 PolarHBondContact O-N 2.93Å; E301-K305 VanDerWaalsContact O-N 3.08Å; E301-K305 IonicContact OE1-NZ 2.7Å; E301-K305 PolarHBondContact OE1-NZ 3Å
302L91.8Very high85.8Confident1 Ų124 Ų241%0.00513%0.134CC..Hα-helixtrans-63.1-43.1-179-65.3173.9000111A184 I186 Y273 L276 L298 K305 L306A184-L302 HydrophobicContact CB-CD1 4.31Å; I186-L302 HydrophobicContact CG2-CB 3.93Å; Y273-L302 HydrophobicContact CE2-CD1 3.75Å; Y273-L302 HydrophobicContact CE2-CD2 4.4Å; L276-L302 HydrophobicContact CD2-CB 4.41Å; L276-L302 HydrophobicContact CD2-CD2 3.91Å; L276-L302 HydrophobicContact CG-CD2 3.88Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.13Å; L298-L302 HydrophobicContact CG-CD1 4.1Å; L298-L302 HydrophobicContact CG-CG 4.47Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.45Å; L302-K305 PolarHBondContact O-N 3.01Å; L302-L306 WeakPolarHBondContact O-CG 3.12Å; L302-L306 PolarHBondContact O-N 3.37Å
303G90.6Very high86.9Confident0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-61.6-42.5176.800000112.9T187 V188 G299 E301 L306 C307T187-G303 WeakPolarHBondContact O-CA 3.33Å; V188-G303 VanDerWaalsContact CG1-CA 3.44Å; G299-G303 PolarHBondContact O-N 3.07Å; E301-G303 VanDerWaalsContact C-N 3.33Å; E301-G303 PolarHBondContact O-N 2.97Å; G303-L306 PolarHBondContact O-N 3.39Å; G303-C307 PolarHBondContact O-N 3.38Å; G303-C307 PolarHBondContact O-SG 3.42Å
304L86.3Confident87.3Confident26 Ų2613.4 Ų13.414%0.1368%0.078CC..Hα-helixtrans-61.3-48.3176.3-179.858.7000111.3P282 F285 A300 E301 L306 C307 I308P282-L304 HydrophobicContact CB-CD2 4.08Å; P282-L304 HydrophobicContact CG-CD2 3.98Å; P282-L304 HydrophobicContact CG-CG 4.26Å; F285-L304 HydrophobicContact CB-CD2 4.15Å; F285-L304 HydrophobicContact CD1-CD2 4.5Å; F285-L304 HydrophobicContact CD2-CD1 4.26Å; F285-L304 HydrophobicContact CD2-CD2 4.43Å; F285-L304 HydrophobicContact CE2-CD1 4.17Å; F285-L304 HydrophobicContact CG-CD2 4.13Å; F285-L304 HydrophobicContact CZ-CD1 4.33Å; A300-L304 VanDerWaalsContact O-CB 3.31Å; A300-L304 WeakPolarHBondContact O-CB 3.5Å; A300-L304 PolarHBondContact O-N 2.92Å; E301-L304 PolarHBondContact O-N 2.88Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 2.86Å; L304-C307 WeakPolarHBondContact O-CB 3.34Å; L304-C307 PolarHBondContact O-N 2.91Å; L304-C307 VanDerWaalsContact O-N 3.16Å; L304-I308 HydrophobicContact CD1-CD1 4.17Å; L304-I308 HydrophobicContact CG-CD1 4Å; L304-I308 VanDerWaalsContact O-CD1 3.31Å; L304-I308 WeakPolarHBondContact O-CD1 3.2Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.23Å; L304-I308 PolarHBondContact O-N 2.87Å
305K89.6Confident87.5Confident1 Ų115.4 Ų15.40%0.0049%0.085CC..Hα-helixtrans-55.3-46.9176.3-70.2171.4177.4179.20111.3L212 L276 R277 L279 T281 E301 L302 C307 I308 G309L212-K305 HydrophobicContact CD2-CB 3.92Å; L212-K305 WeakPolarHBondContact CD2-O 3.3Å; L276-K305 HydrophobicContact CD1-CB 3.6Å; L276-K305 HydrophobicContact CD1-CD 4Å; L276-K305 HydrophobicContact CD1-CG 4.43Å; L276-K305 HydrophobicContact CG-CD 4.47Å; L276-K305 VanDerWaalsContact O-CD 3.32Å; L276-K305 WeakPolarHBondContact O-CD 3.46Å; L276-K305 PolarHBondContact O-NZ 3.09Å; R277-K305 PolarHBondContact O-NZ 3.32Å; L279-K305 WeakPolarHBondContact O-CE 3.47Å; L279-K305 PolarHBondContact O-NZ 3.39Å; T281-K305 VanDerWaalsContact OG1-CE 3.26Å; T281-K305 WeakPolarHBondContact OG1-CE 3.41Å; T281-K305 PolarHBondContact OG1-NZ 3.03Å; E301-K305 HydrophobicContact CG-CD 4.28Å; E301-K305 WeakPolarHBondContact O-CG 3.12Å; E301-K305 PolarHBondContact O-N 2.93Å; E301-K305 VanDerWaalsContact O-N 3.08Å; E301-K305 IonicContact OE1-NZ 2.7Å; E301-K305 PolarHBondContact OE1-NZ 3Å; L302-K305 PolarHBondContact O-N 3.01Å; K305-C307 PolarHBondContact O-N 3.09Å; K305-I308 PolarHBondContact O-N 3.28Å; K305-G309 PolarHBondContact O-N 3Å
306L91.7Very high87.6Confident1 Ų115.1 Ų15.11%0.0058%0.076CC..Hα-helixtrans-64.3-39.8177.5-71.5173.6000113.1I186 F196 I205 I209 F268 L276 L302 G303 L304 I308 G309 L310I186-L306 HydrophobicContact CD1-CD1 3.65Å; I186-L306 HydrophobicContact CG2-CD1 4.19Å; F196-L306 HydrophobicContact CE2-CB 3.88Å; F196-L306 HydrophobicContact CE2-CD1 4.32Å; F196-L306 HydrophobicContact CZ-CB 4.09Å; I205-L306 HydrophobicContact CG2-CD2 4.26Å; I209-L306 HydrophobicContact CD1-CD2 4.27Å; I209-L306 HydrophobicContact CG1-CD2 3.75Å; F268-L306 HydrophobicContact CE1-CD1 4.47Å; F268-L306 HydrophobicContact CZ-CD1 4.16Å; L276-L306 HydrophobicContact CD1-CD2 4.35Å; L276-L306 HydrophobicContact CD1-CG 4.44Å; L276-L306 HydrophobicContact CD2-CD1 4.28Å; L276-L306 HydrophobicContact CD2-CD2 4.1Å; L276-L306 HydrophobicContact CD2-CG 4.02Å; L302-L306 WeakPolarHBondContact O-CG 3.12Å; L302-L306 PolarHBondContact O-N 3.37Å; G303-L306 PolarHBondContact O-N 3.39Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 PolarHBondContact O-N 2.86Å; L306-I308 VanDerWaalsContact C-N 3.29Å; L306-I308 PolarHBondContact O-N 3.09Å; L306-G309 PolarHBondContact O-N 3.34Å; L306-L310 WeakPolarHBondContact O-CB 3.34Å; L306-L310 PolarHBondContact O-N 3.18Å
307C88.2Confident87.4Confident7 Ų714.5 Ų14.55%0.0477%0.071CC..Hα-helixtrans-60.4-40.8176.7-70.30000111.8G303 L304 K305 L310 D311G303-C307 PolarHBondContact O-N 3.38Å; G303-C307 PolarHBondContact O-SG 3.42Å; L304-C307 WeakPolarHBondContact O-CB 3.34Å; L304-C307 PolarHBondContact O-N 2.91Å; L304-C307 VanDerWaalsContact O-N 3.16Å; K305-C307 PolarHBondContact O-N 3.09Å; C307-L310 PolarHBondContact O-N 3.35Å; C307-D311 PolarHBondContact O-N 3.35Å
308I86Confident86.7Confident3 Ų313.1 Ų13.12%0.0157%0.074CC..Hα-helixtrans-66.1-49176.5-62.6153.8000110.2L212 W225 L228 P282 L304 K305 L306 L310 D311 L312L212-I308 HydrophobicContact CD1-CB 4.41Å; L212-I308 HydrophobicContact CD1-CG2 3.78Å; W225-I308 HydrophobicContact CG-CD1 4.42Å; L228-I308 HydrophobicContact CD1-CB 4.38Å; L228-I308 HydrophobicContact CD1-CG1 3.56Å; P282-I308 HydrophobicContact CG-CD1 3.53Å; L304-I308 HydrophobicContact CD1-CD1 4.17Å; L304-I308 HydrophobicContact CG-CD1 4Å; L304-I308 VanDerWaalsContact O-CD1 3.31Å; L304-I308 WeakPolarHBondContact O-CD1 3.2Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.23Å; L304-I308 PolarHBondContact O-N 2.87Å; K305-I308 PolarHBondContact O-N 3.28Å; L306-I308 VanDerWaalsContact C-N 3.29Å; L306-I308 PolarHBondContact O-N 3.09Å; I308-L310 PolarHBondContact O-N 2.98Å; I308-D311 PolarHBondContact O-N 3.4Å; I308-D311 VanDerWaalsContact O-N 3.09Å; I308-L312 HydrophobicContact CG2-CD1 3.94Å; I308-L312 HydrophobicContact CG2-CG 4.37Å; I308-L312 WeakPolarHBondContact O-CG 3.03Å; I308-L312 PolarHBondContact O-N 2.98Å
309G90.8Very high85.3Confident0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-54.7-41.4178.200000112S208 K305 L306 L312 L313S208-G309 WeakPolarHBondContact O-CA 3.21Å; K305-G309 PolarHBondContact O-N 3Å; L306-G309 PolarHBondContact O-N 3.34Å; G309-L312 PolarHBondContact O-N 3.14Å; G309-L313 WeakPolarHBondContact O-CB 3.32Å; G309-L313 PolarHBondContact O-N 2.78Å
310L90.2Very high83.3Confident0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-66.5-42175.9-171.867.3000112.8V192 V195 F196 I204 F236 L306 C307 I308 L312 L313 L314 V412V192-L310 HydrophobicContact CG1-CD2 4.22Å; V192-L310 HydrophobicContact CG2-CD2 4Å; V195-L310 HydrophobicContact CG1-CD1 4.32Å; V195-L310 HydrophobicContact CG1-CD2 4.25Å; F196-L310 HydrophobicContact CE1-CD1 4.27Å; F196-L310 HydrophobicContact CE1-CD2 4.48Å; F196-L310 HydrophobicContact CZ-CB 4.39Å; F196-L310 HydrophobicContact CZ-CD2 4.28Å; I204-L310 HydrophobicContact CG2-CD1 3.98Å; F236-L310 HydrophobicContact CE1-CD2 3.83Å; F236-L310 HydrophobicContact CE1-CG 4.26Å; F236-L310 HydrophobicContact CZ-CD2 4.2Å; L306-L310 WeakPolarHBondContact O-CB 3.34Å; L306-L310 PolarHBondContact O-N 3.18Å; C307-L310 PolarHBondContact O-N 3.35Å; I308-L310 PolarHBondContact O-N 2.98Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L313 HydrophobicContact CD1-CD2 4.49Å; L310-L313 WeakPolarHBondContact O-CB 3.44Å; L310-L313 PolarHBondContact O-N 2.99Å; L310-L314 PolarHBondContact O-N 2.69Å; L310-L314 VanDerWaalsContact O-N 3.09Å; L310-V412 HydrophobicContact CD1-CG1 3.86Å; L310-V412 HydrophobicContact CD1-CG2 4Å; L310-V412 HydrophobicContact CG-CG1 4.46Å
311D86Confident81.6Confident0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-67.7-33.3177.2-166.940.4000112.3F236 N238 C307 I308F236-D311 WeakPolarHBondContact CA-OD1 2.97Å; N238-D311 VanDerWaalsContact CG-OD2 3.25Å; N238-D311 PolarHBondContact ND2-O 3.33Å; N238-D311 PolarHBondContact ND2-OD2 3.18Å; N238-D311 VanDerWaalsContact ND2-OD2 3.12Å; C307-D311 PolarHBondContact O-N 3.35Å; I308-D311 PolarHBondContact O-N 3.4Å; I308-D311 VanDerWaalsContact O-N 3.09Å
312L87.4Confident80Confident3 Ų337.4 Ų37.42%0.01618%0.182CC..Hα-helixtrans-69.9-41.6171.6-74.4169.8000111.9V211 L212 K215 A221 S224 I308 G309 L310 L314 N315V211-L312 HydrophobicContact CG1-CB 3.42Å; V211-L312 VanDerWaalsContact CG1-CB 3.42Å; V211-L312 HydrophobicContact CG1-CD1 4.43Å; L212-L312 HydrophobicContact CD1-CD1 4.24Å; K215-L312 HydrophobicContact CB-CD1 4.26Å; A221-L312 HydrophobicContact CB-CD1 3.89Å; A221-L312 HydrophobicContact CB-CD2 4.44Å; S224-L312 VanDerWaalsContact OG-CD2 3.22Å; S224-L312 WeakPolarHBondContact OG-CD2 3.48Å; I308-L312 HydrophobicContact CG2-CD1 3.94Å; I308-L312 HydrophobicContact CG2-CG 4.37Å; I308-L312 WeakPolarHBondContact O-CG 3.03Å; I308-L312 PolarHBondContact O-N 2.98Å; G309-L312 PolarHBondContact O-N 3.14Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-L314 PolarHBondContact O-N 3.45Å; L312-N315 VanDerWaalsContact O-CB 3.27Å; L312-N315 WeakPolarHBondContact O-CB 3.48Å; L312-N315 PolarHBondContact O-N 3.27Å
313L88.5Confident78.2Confident0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-57.3-39.8175.6-178.564000110.7I204 V211 G309 L310 N315 F316 F405 H408 S409 V412I204-L313 HydrophobicContact CG2-CD2 4.43Å; V211-L313 HydrophobicContact CG2-CB 4.47Å; V211-L313 HydrophobicContact CG2-CD1 3.89Å; G309-L313 WeakPolarHBondContact O-CB 3.32Å; G309-L313 PolarHBondContact O-N 2.78Å; L310-L313 HydrophobicContact CD1-CD2 4.49Å; L310-L313 WeakPolarHBondContact O-CB 3.44Å; L310-L313 PolarHBondContact O-N 2.99Å; L313-N315 PolarHBondContact O-N 3.1Å; L313-N315 VanDerWaalsContact O-N 3.12Å; L313-F316 WeakPolarHBondContact O-CB 3.23Å; L313-F316 WeakPolarHBondContact O-CD2 3.46Å; L313-F316 PolarHBondContact O-N 2.97Å; L313-F405 HydrophobicContact CD1-CB 3.95Å; L313-F405 HydrophobicContact CD1-CD1 4.17Å; L313-F405 HydrophobicContact CD1-CG 4.28Å; L313-H408 HydrophobicContact CD1-CB 4.43Å; L313-H408 HydrophobicContact CD2-CB 4.16Å; L313-S409 WeakPolarHBondContact O-CB 3.38Å; L313-V412 HydrophobicContact CD2-CG2 4.39Å
314L86.4Confident76.5Confident0 Ų048.4 Ų48.40%024%0.24CC..G310 helixtrans-63.6-14.3175.8-77.9169.1000114.8F236 R239 L310 L312 F316 V317 V412 L416F236-L314 HydrophobicContact CD1-CD1 3.26Å; F236-L314 HydrophobicContact CE1-CD1 3.73Å; F236-L314 HydrophobicContact CG-CD1 4.25Å; R239-L314 PolarHBondContact NH2-O 2.93Å; L310-L314 PolarHBondContact O-N 2.69Å; L310-L314 VanDerWaalsContact O-N 3.09Å; L312-L314 PolarHBondContact O-N 3.45Å; L314-F316 PolarHBondContact O-N 3.38Å; L314-V317 HydrophobicContact CD2-CG2 4.21Å; L314-V317 WeakPolarHBondContact O-CG2 3.2Å; L314-V412 HydrophobicContact CD1-CG1 4.42Å; L314-V412 HydrophobicContact CD2-CB 4.23Å; L314-V412 HydrophobicContact CD2-CG1 3.83Å; L314-V412 HydrophobicContact CG-CG1 4.15Å; L314-L416 HydrophobicContact CD1-CD1 3.84Å; L314-L416 HydrophobicContact CD2-CD1 4.27Å
315N83.5Confident75.1Confident68 Ų6854.4 Ų54.436%0.36427%0.272SS..G310 helixtrans-70.6-18173-68.1-33.1000112.6N238 L312 L313 V317N238-N315 WeakPolarHBondContact CB-OD1 3.36Å; N238-N315 PolarHBondContact ND2-ND2 3.41Å; N238-N315 PolarHBondContact ND2-OD1 2.96Å; L312-N315 VanDerWaalsContact O-CB 3.27Å; L312-N315 WeakPolarHBondContact O-CB 3.48Å; L312-N315 PolarHBondContact O-N 3.27Å; L313-N315 PolarHBondContact O-N 3.1Å; L313-N315 VanDerWaalsContact O-N 3.12Å; N315-V317 VanDerWaalsContact C-N 3.33Å; N315-V317 PolarHBondContact O-N 2.87Å
316F83.5Confident73.7Confident52 Ų5256 Ų5623%0.22828%0.279CS..G310 helixtrans-81.3-6.2179.3-68.9-93.4000114.2V211 L313 L314 G318 F405 S409V211-F316 HydrophobicContact CG1-CE2 3.96Å; V211-F316 HydrophobicContact CG2-CE2 4.1Å; L313-F316 WeakPolarHBondContact O-CB 3.23Å; L313-F316 WeakPolarHBondContact O-CD2 3.46Å; L313-F316 PolarHBondContact O-N 2.97Å; L314-F316 PolarHBondContact O-N 3.38Å; F316-G318 PolarHBondContact O-N 2.92Å; F316-F405 HydrophobicContact CB-CB 4.44Å; F316-F405 HydrophobicContact CD1-CB 4.1Å; F316-F405 HydrophobicContact CD2-CB 4.32Å; F316-F405 HydrophobicContact CE1-CB 4.44Å; F316-F405 HydrophobicContact CE1-CD2 4.12Å; F316-F405 HydrophobicContact CE2-CD2 4.37Å; F316-F405 HydrophobicContact CG-CB 4.04Å; F316-F405 AromaticContact CZ-CD2 3.99Å; F316-F405 HydrophobicContact CZ-CD2 3.99Å; F316-S409 VanDerWaalsContact C-OG 3.27Å
317V78.9Confident72Confident10 Ų1057.8 Ų57.86%0.06129%0.292CS..SBendtrans-70.1120.1177.7-172.40000110R239 L314 N315 S409 Y413R239-V317 PolarHBondContact NH2-O 3.45Å; L314-V317 HydrophobicContact CD2-CG2 4.21Å; L314-V317 WeakPolarHBondContact O-CG2 3.2Å; N315-V317 VanDerWaalsContact C-N 3.33Å; N315-V317 PolarHBondContact O-N 2.87Å; V317-S409 VanDerWaalsContact CG2-O 3.32Å; V317-S409 WeakPolarHBondContact CG2-O 3.44Å; V317-S409 PolarHBondContact N-OG 3.34Å; V317-Y413 HydrophobicContact CG1-CD2 4.32Å; V317-Y413 HydrophobicContact CG1-CG 4.18Å; V317-Y413 HydrophobicContact CG2-CD2 4.36Å; V317-Y413 HydrophobicContact CG2-CG 4.37Å
318G69.2Low70.5Confident26 Ų2657.8 Ų57.827%0.26829%0.292SS..  trans-54.3140.6173.700000112.2F316 H320F316-G318 PolarHBondContact O-N 2.92Å; G318-H320 PolarHBondContact O-N 3.27Å
319K57.9Low69.2Low194 Ų19462.1 Ų62.184%0.84331%0.309SS*.THydrogen-bonded Turntrans-60.4-14.6-176.7-69.7179.4-179.1172.80114.3
320H47.7Very low67.5Low181 Ų18167.8 Ų67.884%0.83833%0.334SS*.THydrogen-bonded Turntrans-129.65.5-169.7-75-74.8000115.6G318 Q322G318-H320 PolarHBondContact O-N 3.27Å; H320-Q322 PolarHBondContact O-N 2.96Å
321E51.9Low65.5Low97 Ų9773.4 Ų73.445%0.45336%0.362SS..  trans-103.274.7178.8-70.3170.2144.700109.6Q406 Q410E321-Q406 PolarHBondContact OE2-NE2 2.8Å; E321-Q410 VanDerWaalsContact CD-NE2 3.26Å; E321-Q410 PolarHBondContact OE2-NE2 2.82Å
322Q52.9Low63.8Low116 Ų11675.6 Ų75.654%0.54238%0.38SS..  trans-94.1114.5164.3-68.6-177-11.600107.2H320 L324 Y413H320-Q322 PolarHBondContact O-N 2.96Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.36Å; Q322-L324 VanDerWaalsContact O-N 3.11Å; Q322-Y413 HydrophobicContact CG-CE1 4.24Å; Q322-Y413 PolarHBondContact NE2-OH 2.99Å
323D55.1Low62.5Low90 Ų9078.5 Ų78.548%0.48140%0.401SS..  trans-77.492163-169.82000107.6D325 F326D323-D325 PolarHBondContact O-N 2.87Å; D323-D325 PolarHBondContact OD1-N 3.44Å; D323-F326 HydrophobicContact CB-CB 4.11Å; D323-F326 WeakPolarHBondContact O-CB 3.36Å; D323-F326 PolarHBondContact O-N 2.81Å; D323-F326 PolarHBondContact OD1-N 3.47Å
324L55.4Low61.3Low142 Ų14282.7 Ų82.774%0.74344%0.436SS*.THydrogen-bonded Turntrans-64.2-22.6178.3-71.1168.1000111.8Q322Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.36Å; Q322-L324 VanDerWaalsContact O-N 3.11Å
325D57Low60.3Low151 Ų15189.6 Ų89.681%0.80747%0.468SS*.THydrogen-bonded Turntrans-98.616.5178.5-71.7-21.6000112.2D323 S327D323-D325 PolarHBondContact O-N 2.87Å; D323-D325 PolarHBondContact OD1-N 3.44Å; D325-S327 PolarHBondContact O-N 3.34Å
326F58.6Low59.8Low34 Ų3488.4 Ų88.415%0.14947%0.465CS..  trans-61.4103.8176.3179.1-100.1000110.8D323 P328 F411 S414 I415D323-F326 HydrophobicContact CB-CB 4.11Å; D323-F326 WeakPolarHBondContact O-CB 3.36Å; D323-F326 PolarHBondContact O-N 2.81Å; D323-F326 PolarHBondContact OD1-N 3.47Å; F326-P328 HydrophobicContact CD1-CG 4.34Å; F326-P328 HydrophobicContact CE1-CB 4.15Å; F326-P328 HydrophobicContact CE1-CG 3.75Å; F326-P328 HydrophobicContact CZ-CB 4.35Å; F326-P328 HydrophobicContact CZ-CG 4.43Å; F326-F411 AromaticContact CE2-CD2 3.86Å; F326-F411 HydrophobicContact CE2-CD2 3.86Å; F326-F411 AromaticContact CE2-CE2 3.8Å; F326-F411 HydrophobicContact CE2-CE2 3.8Å; F326-F411 AromaticContact CZ-CD2 3.95Å; F326-F411 HydrophobicContact CZ-CD2 3.95Å; F326-F411 AromaticContact CZ-CE2 3.55Å; F326-F411 HydrophobicContact CZ-CE2 3.55Å; F326-F411 HydrophobicContact CZ-CZ 4.5Å; F326-S414 VanDerWaalsContact CD1-CB 3.41Å; F326-S414 WeakPolarHBondContact CD1-O 3.28Å; F326-S414 VanDerWaalsContact CE1-C 3.48Å; F326-I415 HydrophobicContact CE1-CG1 4.38Å; F326-I415 HydrophobicContact CZ-CG1 4.2Å
327S57.3Low59.6Low39 Ų3992 Ų9227%0.27348%0.481SS..  trans-88.6129.3153.9-179.70000107.6D325 Y329 I331D325-S327 PolarHBondContact O-N 3.34Å; S327-Y329 PolarHBondContact O-N 2.98Å; S327-I331 WeakPolarHBondContact OG-CD1 3.42Å; S327-I331 WeakPolarHBondContact OG-CG1 3.49Å
328P55.8Low59.7Low8 Ų896.9 Ų96.95%0.05250%0.503CS..  trans-52.8142.9161.1-14.125.9000107.3F326 F330 Y418F326-P328 HydrophobicContact CD1-CG 4.34Å; F326-P328 HydrophobicContact CE1-CB 4.15Å; F326-P328 HydrophobicContact CE1-CG 3.75Å; F326-P328 HydrophobicContact CZ-CB 4.35Å; F326-P328 HydrophobicContact CZ-CG 4.43Å; P328-F330 HydrophobicContact CB-CD1 3.64Å; P328-F330 HydrophobicContact CB-CE1 3.62Å; P328-F330 HydrophobicContact CG-CD1 4.12Å; P328-F330 HydrophobicContact CG-CE1 3.55Å; P328-F330 VanDerWaalsContact O-CD1 3.25Å; P328-F330 WeakPolarHBondContact O-CD1 3Å; P328-F330 PolarHBondContact O-N 3.11Å; P328-Y418 VanDerWaalsContact CD-CE2 3.41Å; P328-Y418 HydrophobicContact CG-CD1 3.62Å; P328-Y418 HydrophobicContact CG-CD2 3.44Å; P328-Y418 VanDerWaalsContact CG-CD2 3.44Å; P328-Y418 HydrophobicContact CG-CE1 3.84Å; P328-Y418 HydrophobicContact CG-CE2 3.65Å; P328-Y418 HydrophobicContact CG-CG 3.43Å; P328-Y418 VanDerWaalsContact CG-CG 3.43Å
329Y58.5Low60.2Low93 Ų93101.6 Ų101.637%0.36552%0.516SS..THydrogen-bonded Turntrans-57.13.1-163.3-62.7-81000116.5S327 I331 W372 L375 F411S327-Y329 PolarHBondContact O-N 2.98Å; Y329-I331 VanDerWaalsContact C-N 3.28Å; Y329-I331 PolarHBondContact O-N 2.98Å; Y329-W372 AromaticContact CD2-CH2 3.62Å; Y329-W372 HydrophobicContact CD2-CH2 3.62Å; Y329-W372 HydrophobicContact CD2-CZ2 4.46Å; Y329-W372 AromaticContact CD2-CZ3 3.96Å; Y329-W372 HydrophobicContact CD2-CZ3 3.96Å; Y329-W372 AromaticContact CE2-CH2 3.62Å; Y329-W372 HydrophobicContact CE2-CH2 3.62Å; Y329-W372 AromaticContact CE2-CZ3 3.81Å; Y329-W372 HydrophobicContact CE2-CZ3 3.81Å; Y329-L375 HydrophobicContact CG-CD1 3.94Å; Y329-F411 AromaticContact CD2-CE2 3.9Å; Y329-F411 HydrophobicContact CD2-CE2 3.9Å; Y329-F411 HydrophobicContact CD2-CZ 4.37Å; Y329-F411 AromaticContact CE2-CD2 3.85Å; Y329-F411 HydrophobicContact CE2-CD2 3.85Å; Y329-F411 AromaticContact CE2-CE2 3.32Å; Y329-F411 HydrophobicContact CE2-CE2 3.32Å; Y329-F411 HydrophobicContact CE2-CZ 4.04Å
330F54.6Low61.4Low120 Ų12094.5 Ų94.553%0.52648%0.484SS..THydrogen-bonded Turntrans-65.2-20174.967.5-103.1000114.5P328 A332 Y418P328-F330 HydrophobicContact CB-CD1 3.64Å; P328-F330 HydrophobicContact CB-CE1 3.62Å; P328-F330 HydrophobicContact CG-CD1 4.12Å; P328-F330 HydrophobicContact CG-CE1 3.55Å; P328-F330 VanDerWaalsContact O-CD1 3.25Å; P328-F330 WeakPolarHBondContact O-CD1 3Å; P328-F330 PolarHBondContact O-N 3.11Å; F330-A332 VanDerWaalsContact C-N 3.3Å; F330-A332 PolarHBondContact O-N 3.5Å; F330-Y418 HydrophobicContact CE1-CE1 4.47Å; F330-Y418 HydrophobicContact CE1-CE2 4.01Å; F330-Y418 AromaticContact CE1-CZ 3.74Å; F330-Y418 WeakPolarHBondContact CE1-OH 3.28Å; F330-Y418 AromaticContact CZ-CE2 3.99Å; F330-Y418 HydrophobicContact CZ-CE2 3.99Å; F330-Y418 AromaticContact CZ-CZ 3.91Å; F330-Y418 WeakPolarHBondContact CZ-OH 3.28Å
331I49.1Very low63.2Low117 Ų11789.5 Ų89.560%0.646%0.464SS*.  trans-85.777.4176.1-54.1-177.9000109.3S327 Y329S327-I331 WeakPolarHBondContact OG-CD1 3.42Å; S327-I331 WeakPolarHBondContact OG-CG1 3.49Å; Y329-I331 VanDerWaalsContact C-N 3.28Å; Y329-I331 PolarHBondContact O-N 2.98Å
332A51.4Low64.8Low46 Ų4690.5 Ų90.538%0.3847%0.466SS..  trans-62.8136.8170.100000110.5F330 K337F330-A332 VanDerWaalsContact C-N 3.3Å; F330-A332 PolarHBondContact O-N 3.5Å; A332-K337 HydrophobicContact CB-CB 4.31Å
333S59.9Low66.4Low64 Ų6485.4 Ų85.445%0.44844%0.442SS..  trans-56.8158.8157.3680000109.6E335 S336 K337S333-E335 PolarHBondContact O-N 2.95Å; S333-S336 PolarHBondContact O-N 2.86Å; S333-S336 WeakPolarHBondContact OG-CB 3.48Å; S333-S336 PolarHBondContact OG-N 2.47Å; S333-S336 PolarHBondContact OG-OG 2.92Å; S333-S336 VanDerWaalsContact OG-OG 3.08Å; S333-K337 PolarHBondContact O-N 3.01Å
334A62.8Low67.9Low89 Ų8982.6 Ų82.674%0.73643%0.427SS*.Hα-helixtrans-54.5-37.7178.100000112.3K337 E338A334-K337 PolarHBondContact O-N 2.95Å; A334-E338 PolarHBondContact O-N 2.78Å
335E65.8Low69.5Low144 Ų14482.2 Ų82.267%0.67342%0.422SS*.Hα-helixtrans-66.3-42.2175.5-63.9179.6179.600112.8S333 K337 E338 K339S333-E335 PolarHBondContact O-N 2.95Å; E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 2.74Å; E335-E338 PolarHBondContact O-N 3.41Å; E335-K339 PolarHBondContact O-N 3.12Å
336S72.8Confident70.8Confident43 Ų4380 Ų8030%0.30140%0.402SS..Hα-helixtrans-64.5-32.9176.2-67.90000111.7S333 W340 F374S333-S336 PolarHBondContact O-N 2.86Å; S333-S336 WeakPolarHBondContact OG-CB 3.48Å; S333-S336 PolarHBondContact OG-N 2.47Å; S333-S336 PolarHBondContact OG-OG 2.92Å; S333-S336 VanDerWaalsContact OG-OG 3.08Å; S336-W340 WeakPolarHBondContact O-CB 3.48Å; S336-W340 PolarHBondContact O-N 3.44Å; S336-F374 WeakPolarHBondContact O-CZ 3.06Å
337K78.1Confident72.2Confident129 Ų12978.4 Ų78.456%0.56140%0.395SS*.Hα-helixtrans-67.9-39.1177.2-169174.5-177.9176.20112.6A332 S333 A334 E335 W340 N341A332-K337 HydrophobicContact CB-CB 4.31Å; S333-K337 PolarHBondContact O-N 3.01Å; A334-K337 PolarHBondContact O-N 2.95Å; E335-K337 VanDerWaalsContact C-N 3.26Å; E335-K337 PolarHBondContact O-N 2.74Å; K337-W340 WeakPolarHBondContact O-CB 3.05Å; K337-W340 PolarHBondContact O-N 2.87Å; K337-N341 PolarHBondContact O-N 3.27Å; K337-N341 PolarHBondContact O-ND2 2.77Å; K337-N341 PolarHBondContact O-OD1 3.35Å
338E80.9Confident73.7Confident111 Ų11180.5 Ų80.552%0.51941%0.406SS..Hα-helixtrans-66.6-46.4175.5-170.2-169.6153.600111.4A334 E335 W340 N341 K342A334-E338 PolarHBondContact O-N 2.78Å; E335-E338 PolarHBondContact O-N 3.41Å; E338-W340 VanDerWaalsContact C-N 3.27Å; E338-W340 PolarHBondContact O-N 3.13Å; E338-N341 PolarHBondContact O-N 3.19Å; E338-K342 PolarHBondContact O-N 2.72Å; E338-K342 VanDerWaalsContact O-N 3.11Å; E338-K342 VanDerWaalsContact OE1-CE 3.31Å; E338-K342 WeakPolarHBondContact OE1-CE 3.4Å; E338-K342 IonicContact OE1-NZ 3.47Å; E338-K342 PolarHBondContact OE1-NZ 2.78Å
339K80.1Confident75.1Confident126 Ų12684.6 Ų84.655%0.54844%0.435SS..Hα-helixtrans-59.8-40.3175.5-72.5-179.6-179.1179.70111.5E335 K342 F343 F374E335-K339 PolarHBondContact O-N 3.12Å; K339-K342 PolarHBondContact O-N 3.11Å; K339-F343 WeakPolarHBondContact O-CB 3.31Å; K339-F343 PolarHBondContact O-N 3.17Å; K339-F374 VanDerWaalsContact C-CE2 3.47Å; K339-F374 HydrophobicContact CB-CE2 3.93Å; K339-F374 HydrophobicContact CB-CZ 3.67Å
340W83.7Confident76.3Confident44 Ų4482.3 Ų82.317%0.16743%0.432CS..Hα-helixtrans-60.8-46.7175.5168.7-105.8000112.1S336 K337 E338 K342 F343 I344 L367 A370 Q371 F374S336-W340 WeakPolarHBondContact O-CB 3.48Å; S336-W340 PolarHBondContact O-N 3.44Å; K337-W340 WeakPolarHBondContact O-CB 3.05Å; K337-W340 PolarHBondContact O-N 2.87Å; E338-W340 VanDerWaalsContact C-N 3.27Å; E338-W340 PolarHBondContact O-N 3.13Å; W340-K342 PolarHBondContact O-N 3.33Å; W340-F343 HydrophobicContact CE3-CD1 4.08Å; W340-F343 AromaticContact CZ3-CD1 3.85Å; W340-F343 HydrophobicContact CZ3-CD1 3.85Å; W340-F343 HydrophobicContact CZ3-CE1 4.26Å; W340-F343 WeakPolarHBondContact O-CB 3.46Å; W340-F343 PolarHBondContact O-N 2.88Å; W340-I344 HydrophobicContact CD2-CG1 3.88Å; W340-I344 VanDerWaalsContact CE2-CG1 3.41Å; W340-I344 HydrophobicContact CE3-CD1 4.46Å; W340-I344 HydrophobicContact CE3-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 3.23Å; W340-I344 HydrophobicContact CH2-CG1 3.59Å; W340-I344 HydrophobicContact CZ2-CD1 3.39Å; W340-I344 HydrophobicContact CZ2-CG1 3.28Å; W340-I344 HydrophobicContact CZ3-CD1 3.83Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 PolarHBondContact O-N 2.75Å; W340-L367 HydrophobicContact CH2-CD1 4.17Å; W340-L367 HydrophobicContact CZ2-CD1 3.85Å; W340-A370 HydrophobicContact CH2-CB 4.31Å; W340-Q371 HydrophobicContact CH2-CB 4.03Å; W340-Q371 HydrophobicContact CH2-CG 3.13Å; W340-Q371 HydrophobicContact CZ2-CG 3.48Å; W340-Q371 VanDerWaalsContact CZ2-CG 3.48Å; W340-Q371 HydrophobicContact CZ3-CB 4.27Å; W340-Q371 HydrophobicContact CZ3-CG 3.76Å; W340-F374 VanDerWaalsContact CA-CE2 3.49Å; W340-F374 HydrophobicContact CB-CE1 4.01Å; W340-F374 HydrophobicContact CB-CE2 4.2Å; W340-F374 HydrophobicContact CB-CZ 3.84Å; W340-F374 HydrophobicContact CE3-CB 3.82Å; W340-F374 AromaticContact CE3-CD1 3.86Å; W340-F374 HydrophobicContact CE3-CD1 3.86Å; W340-F374 AromaticContact CE3-CD2 3.88Å; W340-F374 HydrophobicContact CE3-CD2 3.88Å; W340-F374 HydrophobicContact CE3-CE1 4.43Å; W340-F374 HydrophobicContact CE3-CE2 4.48Å; W340-F374 AromaticContact CE3-CG 3.57Å; W340-F374 HydrophobicContact CE3-CG 3.57Å; W340-F374 HydrophobicContact CZ3-CB 3.78Å; W340-F374 HydrophobicContact CZ3-CG 4.08Å; W340-F374 VanDerWaalsContact N-CZ 3.27Å
341N86.3Confident77.6Confident77 Ų7780.9 Ų80.941%0.41244%0.438SS..Hα-helixtrans-60.9-45.3178.9-68.8-13.7000111.5K337 E338 F343 I344 E345K337-N341 PolarHBondContact O-N 3.27Å; K337-N341 PolarHBondContact O-ND2 2.77Å; K337-N341 PolarHBondContact O-OD1 3.35Å; E338-N341 PolarHBondContact O-N 3.19Å; N341-F343 VanDerWaalsContact C-N 3.3Å; N341-F343 PolarHBondContact O-N 2.95Å; N341-I344 PolarHBondContact O-N 2.84Å; N341-E345 WeakPolarHBondContact O-CG 3.3Å; N341-E345 PolarHBondContact O-N 3.37Å
342K85.3Confident79.3Confident118 Ų11875.3 Ų75.351%0.51341%0.409SS..Hα-helixtrans-59.8-41.7175.3-69.6178.1-174.2166.70111.9E338 K339 W340 E345 R346E338-K342 PolarHBondContact O-N 2.72Å; E338-K342 VanDerWaalsContact O-N 3.11Å; E338-K342 VanDerWaalsContact OE1-CE 3.31Å; E338-K342 WeakPolarHBondContact OE1-CE 3.4Å; E338-K342 IonicContact OE1-NZ 3.47Å; E338-K342 PolarHBondContact OE1-NZ 2.78Å; K339-K342 PolarHBondContact O-N 3.11Å; W340-K342 PolarHBondContact O-N 3.33Å; K342-E345 PolarHBondContact O-N 3.02Å; K342-R346 PolarHBondContact O-N 3.08Å
343F85.4Confident80.8Confident8 Ų874 Ų744%0.03540%0.395CS..Hα-helixtrans-62.7-44.4177.1-177.5-110.9000112.3I36 K339 W340 N341 R346 L347 A370 H373 F374 L378I36-F343 HydrophobicContact CD1-CE1 4.46Å; I36-F343 HydrophobicContact CD1-CZ 3.98Å; K339-F343 WeakPolarHBondContact O-CB 3.31Å; K339-F343 PolarHBondContact O-N 3.17Å; W340-F343 HydrophobicContact CE3-CD1 4.08Å; W340-F343 AromaticContact CZ3-CD1 3.85Å; W340-F343 HydrophobicContact CZ3-CD1 3.85Å; W340-F343 HydrophobicContact CZ3-CE1 4.26Å; W340-F343 WeakPolarHBondContact O-CB 3.46Å; W340-F343 PolarHBondContact O-N 2.88Å; N341-F343 VanDerWaalsContact C-N 3.3Å; N341-F343 PolarHBondContact O-N 2.95Å; F343-R346 PolarHBondContact O-N 3.42Å; F343-L347 HydrophobicContact CD1-CD1 4.02Å; F343-L347 HydrophobicContact CE1-CD1 3.51Å; F343-L347 HydrophobicContact CE1-CG 4.3Å; F343-L347 HydrophobicContact CZ-CD1 3.84Å; F343-L347 HydrophobicContact CZ-CG 4.3Å; F343-L347 PolarHBondContact O-N 3.5Å; F343-A370 HydrophobicContact CE1-CB 4.26Å; F343-H373 AromaticContact CZ-ND1 3.91Å; F343-F374 HydrophobicContact CB-CD2 3.78Å; F343-F374 HydrophobicContact CB-CE2 4.03Å; F343-F374 HydrophobicContact CD1-CB 3.99Å; F343-F374 AromaticContact CD1-CD2 3.71Å; F343-F374 HydrophobicContact CD1-CD2 3.71Å; F343-F374 HydrophobicContact CD1-CG 4.26Å; F343-F374 HydrophobicContact CD2-CD2 4.45Å; F343-F374 HydrophobicContact CE1-CB 3.93Å; F343-F374 HydrophobicContact CE1-CD2 4.38Å; F343-F374 AromaticContact CG-CD2 3.73Å; F343-F374 HydrophobicContact CG-CD2 3.73Å; F343-F374 HydrophobicContact CG-CE2 4.44Å; F343-L378 HydrophobicContact CD2-CD1 4.47Å
344I87.5Confident81.8Confident32 Ų3276.1 Ų76.116%0.16440%0.397CS..Hα-helixtrans-67.1-40.9177.2-72.6-54000112.7W340 N341 R346 L347 T348 F353 L367 A370W340-I344 HydrophobicContact CD2-CG1 3.88Å; W340-I344 VanDerWaalsContact CE2-CG1 3.41Å; W340-I344 HydrophobicContact CE3-CD1 4.46Å; W340-I344 HydrophobicContact CE3-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 3.23Å; W340-I344 HydrophobicContact CH2-CG1 3.59Å; W340-I344 HydrophobicContact CZ2-CD1 3.39Å; W340-I344 HydrophobicContact CZ2-CG1 3.28Å; W340-I344 HydrophobicContact CZ3-CD1 3.83Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 PolarHBondContact O-N 2.75Å; N341-I344 PolarHBondContact O-N 2.84Å; I344-R346 PolarHBondContact O-N 2.87Å; I344-L347 HydrophobicContact CD1-CD1 4.24Å; I344-L347 PolarHBondContact O-N 3.29Å; I344-T348 WeakPolarHBondContact O-CB 3.22Å; I344-T348 PolarHBondContact O-N 3.48Å; I344-T348 PolarHBondContact O-OG1 2.89Å; I344-F353 HydrophobicContact CD1-CZ 4.25Å; I344-L367 HydrophobicContact CD1-CD1 3.94Å; I344-A370 HydrophobicContact CD1-CB 4.46Å
345E88.3Confident82.5Confident134 Ų13475.8 Ų75.863%0.62640%0.403SS*.Hα-helixtrans-58-37.4175-75.5174.3-175.800111.3N341 K342 S349N341-E345 WeakPolarHBondContact O-CG 3.3Å; N341-E345 PolarHBondContact O-N 3.37Å; K342-E345 PolarHBondContact O-N 3.02Å; E345-S349 PolarHBondContact O-N 3.32Å; E345-S349 PolarHBondContact O-OG 3Å; E345-S349 VanDerWaalsContact O-OG 3.06Å
346R85.4Confident83.1Confident104 Ų10470.6 Ų70.639%0.39238%0.381SS..Hα-helixtrans-70.5-45.3174.9-173176.4-174.2116.49.3113.5E29 K342 F343 I344 T348 S349 S350E29-R346 WeakPolarHBondContact OE1-CD 3.41Å; E29-R346 IonicContact OE1-CZ 3.35Å; E29-R346 IonicContact OE1-NE 2.89Å; E29-R346 IonicContact OE1-NH1 2.71Å; E29-R346 PolarHBondContact OE1-NH1 3.3Å; K342-R346 PolarHBondContact O-N 3.08Å; F343-R346 PolarHBondContact O-N 3.42Å; I344-R346 PolarHBondContact O-N 2.87Å; R346-T348 PolarHBondContact O-N 2.87Å; R346-S349 WeakPolarHBondContact CA-OG 3.3Å; R346-S349 PolarHBondContact O-N 3.41Å; R346-S349 PolarHBondContact O-OG 3.49Å; R346-S350 WeakPolarHBondContact O-CB 3.23Å; R346-S350 PolarHBondContact O-N 2.98Å; R346-S350 PolarHBondContact O-OG 3.12Å
347L87.1Confident83.3Confident0 Ų072.3 Ų72.30%039%0.393CS..Hα-helixtrans-59.9-38.8175.3-71.8-179.1000111.1I36 F343 I344 S350 S351 Y352 F353 A370I36-L347 HydrophobicContact CD1-CD1 4.07Å; I36-L347 HydrophobicContact CD1-CD2 4.22Å; F343-L347 HydrophobicContact CD1-CD1 4.02Å; F343-L347 HydrophobicContact CE1-CD1 3.51Å; F343-L347 HydrophobicContact CE1-CG 4.3Å; F343-L347 HydrophobicContact CZ-CD1 3.84Å; F343-L347 HydrophobicContact CZ-CG 4.3Å; F343-L347 PolarHBondContact O-N 3.5Å; I344-L347 HydrophobicContact CD1-CD1 4.24Å; I344-L347 PolarHBondContact O-N 3.29Å; L347-S350 WeakPolarHBondContact CA-OG 3.43Å; L347-S350 PolarHBondContact O-N 3.25Å; L347-S350 PolarHBondContact O-OG 3.41Å; L347-S350 VanDerWaalsContact O-OG 3.07Å; L347-S351 PolarHBondContact O-N 2.83Å; L347-Y352 HydrophobicContact CB-CD1 4.02Å; L347-Y352 HydrophobicContact CB-CG 4.21Å; L347-Y352 HydrophobicContact CD1-CD1 4.09Å; L347-Y352 HydrophobicContact CD1-CE1 4.25Å; L347-Y352 HydrophobicContact CD2-CD1 4.39Å; L347-Y352 HydrophobicContact CD2-CD2 4.37Å; L347-Y352 HydrophobicContact CD2-CG 4.04Å; L347-Y352 HydrophobicContact CG-CD1 4.41Å; L347-Y352 WeakPolarHBondContact O-CB 3.46Å; L347-Y352 PolarHBondContact O-N 3.42Å; L347-Y352 VanDerWaalsContact O-N 3.09Å; L347-F353 HydrophobicContact CB-CE2 4.09Å; L347-A370 HydrophobicContact CD1-CB 3.53Å
348T88.1Confident83.1Confident83 Ų8373.7 Ų73.751%0.50940%0.401SS..Hα-helixtrans-64.6-44.2176.4-52.40000111.8I344 R346 S350 S351I344-T348 WeakPolarHBondContact O-CB 3.22Å; I344-T348 PolarHBondContact O-N 3.48Å; I344-T348 PolarHBondContact O-OG1 2.89Å; R346-T348 PolarHBondContact O-N 2.87Å; T348-S350 PolarHBondContact O-N 3.5Å; T348-S351 PolarHBondContact O-N 3.41Å
349S87.3Confident82.8Confident95 Ų9577 Ų7766%0.66442%0.417SS*.Hα-helixtrans-70.7-27.1177.454.30000114E345 R346 S351E345-S349 PolarHBondContact O-N 3.32Å; E345-S349 PolarHBondContact O-OG 3Å; E345-S349 VanDerWaalsContact O-OG 3.06Å; R346-S349 WeakPolarHBondContact CA-OG 3.3Å; R346-S349 PolarHBondContact O-N 3.41Å; R346-S349 PolarHBondContact O-OG 3.49Å; S349-S351 VanDerWaalsContact C-N 3.25Å; S349-S351 PolarHBondContact O-N 2.83Å
350S83Confident82.6Confident44 Ų4472.5 Ų72.531%0.30840%0.401SS..THydrogen-bonded Turntrans-84.812.2176.858.10000114.4R346 L347 T348 Y352R346-S350 WeakPolarHBondContact O-CB 3.23Å; R346-S350 PolarHBondContact O-N 2.98Å; R346-S350 PolarHBondContact O-OG 3.12Å; L347-S350 WeakPolarHBondContact CA-OG 3.43Å; L347-S350 PolarHBondContact O-N 3.25Å; L347-S350 PolarHBondContact O-OG 3.41Å; L347-S350 VanDerWaalsContact O-OG 3.07Å; T348-S350 PolarHBondContact O-N 3.5Å; S350-Y352 PolarHBondContact O-N 2.78Å
351S81.9Confident82Confident91 Ų9173 Ų7364%0.63640%0.403SS*.THydrogen-bonded Turntrans59.823.5-179.3-560000114.7L347 T348 S349 F353 Q354L347-S351 PolarHBondContact O-N 2.83Å; T348-S351 PolarHBondContact O-N 3.41Å; S349-S351 VanDerWaalsContact C-N 3.25Å; S349-S351 PolarHBondContact O-N 2.83Å; S351-F353 VanDerWaalsContact C-N 3.3Å; S351-F353 PolarHBondContact O-N 2.86Å; S351-Q354 PolarHBondContact O-N 3.5Å
352Y83.8Confident81.5Confident0 Ų071.2 Ų71.20%039%0.393CS..THydrogen-bonded Turntrans-56.5-42.6178.9171.6-108.1000112.6L33 I36 Q37 L347 S350 Q354 L366 A370L33-Y352 HydrophobicContact CD1-CD2 3.84Å; L33-Y352 HydrophobicContact CD1-CG 4.31Å; I36-Y352 HydrophobicContact CB-CE2 4.07Å; I36-Y352 HydrophobicContact CD1-CE2 4.48Å; I36-Y352 HydrophobicContact CG2-CE2 3.89Å; I36-Y352 WeakPolarHBondContact CG2-OH 3.24Å; Q37-Y352 HydrophobicContact CG-CD2 4.12Å; Q37-Y352 HydrophobicContact CG-CE2 3.74Å; L347-Y352 HydrophobicContact CB-CD1 4.02Å; L347-Y352 HydrophobicContact CB-CG 4.21Å; L347-Y352 HydrophobicContact CD1-CD1 4.09Å; L347-Y352 HydrophobicContact CD1-CE1 4.25Å; L347-Y352 HydrophobicContact CD2-CD1 4.39Å; L347-Y352 HydrophobicContact CD2-CD2 4.37Å; L347-Y352 HydrophobicContact CD2-CG 4.04Å; L347-Y352 HydrophobicContact CG-CD1 4.41Å; L347-Y352 WeakPolarHBondContact O-CB 3.46Å; L347-Y352 PolarHBondContact O-N 3.42Å; L347-Y352 VanDerWaalsContact O-N 3.09Å; S350-Y352 PolarHBondContact O-N 2.78Å; Y352-Q354 PolarHBondContact O-N 2.99Å; Y352-L366 HydrophobicContact CE1-CB 3.74Å; Y352-L366 HydrophobicContact CE1-CD2 4.31Å; Y352-L366 WeakPolarHBondContact CE1-O 3.37Å; Y352-L366 HydrophobicContact CE2-CD2 4.11Å; Y352-L366 WeakPolarHBondContact OH-CA 3.36Å; Y352-L366 WeakPolarHBondContact OH-CD2 3.36Å; Y352-L366 PolarHBondContact OH-O 3.03Å; Y352-A370 HydrophobicContact CE1-CB 4.13Å
353F84.3Confident81.2Confident18 Ų1866.9 Ų66.98%0.07938%0.375CS..THydrogen-bonded Turntrans-78.60.1179.1-60.9-73.5000113.9I344 L347 S351 G355 V356 H363 L366 L367I344-F353 HydrophobicContact CD1-CZ 4.25Å; L347-F353 HydrophobicContact CB-CE2 4.09Å; S351-F353 VanDerWaalsContact C-N 3.3Å; S351-F353 PolarHBondContact O-N 2.86Å; F353-G355 PolarHBondContact O-N 3.17Å; F353-V356 VanDerWaalsContact O-CB 3.28Å; F353-V356 WeakPolarHBondContact O-CB 3.44Å; F353-V356 VanDerWaalsContact O-CG2 3.23Å; F353-V356 WeakPolarHBondContact O-CG2 3.19Å; F353-V356 PolarHBondContact O-N 2.86Å; F353-H363 AromaticContact CD1-CE1 3.72Å; F353-H363 AromaticContact CD1-ND1 3.65Å; F353-L366 HydrophobicContact CD1-CB 4.09Å; F353-L366 HydrophobicContact CD1-CD1 4.48Å; F353-L366 HydrophobicContact CE1-CB 4.21Å; F353-L367 HydrophobicContact CE1-CB 4.34Å; F353-L367 HydrophobicContact CE1-CD1 4.42Å; F353-L367 HydrophobicContact CZ-CD1 4.22Å
354Q80.1Confident80.6Confident108 Ų10868.9 Ų68.951%0.50539%0.386SS..THydrogen-bonded Turntrans52.425.1174.7-56.3177.85.600115.1S351 Y352 V356S351-Q354 PolarHBondContact O-N 3.5Å; Y352-Q354 PolarHBondContact O-N 2.99Å; Q354-V356 HydrophobicContact CB-CG2 4.24Å; Q354-V356 PolarHBondContact O-N 2.72Å
355G77.3Confident80.1Confident82 Ų8269.2 Ų69.285%0.84539%0.387SS*.THydrogen-bonded Turntrans6713.8-175.400000114.7F353F353-G355 PolarHBondContact O-N 3.17Å
356V79.7Confident79.9Confident35 Ų3563.4 Ų63.421%0.21236%0.36CS..  trans-65.2138.1175.9-179.80000109.4F353 Q354 S360 L362 H363F353-V356 VanDerWaalsContact O-CB 3.28Å; F353-V356 WeakPolarHBondContact O-CB 3.44Å; F353-V356 VanDerWaalsContact O-CG2 3.23Å; F353-V356 WeakPolarHBondContact O-CG2 3.19Å; F353-V356 PolarHBondContact O-N 2.86Å; Q354-V356 HydrophobicContact CB-CG2 4.24Å; Q354-V356 PolarHBondContact O-N 2.72Å; V356-S360 VanDerWaalsContact CG1-CB 3.4Å; V356-L362 HydrophobicContact CG1-CB 4.24Å; V356-L362 HydrophobicContact CG2-CD2 3.89Å; V356-L362 HydrophobicContact CG2-CG 4.46Å; V356-H363 HydrophobicContact CG1-CB 4.02Å
357S75.8Confident79.7Confident79 Ų7960.6 Ų60.655%0.55235%0.352SS*.  trans-61.1143.5178.355.40000112.2E359 S360 H363S357-E359 PolarHBondContact O-N 3.2Å; S357-E359 VanDerWaalsContact O-N 3.12Å; S357-S360 VanDerWaalsContact O-CB 3.27Å; S357-S360 WeakPolarHBondContact O-CB 3.31Å; S357-S360 PolarHBondContact O-N 3.26Å; S357-H363 WeakPolarHBondContact O-CB 3.36Å
358E75.1Confident79.2Confident158 Ų15861.5 Ų61.574%0.73836%0.357SS*.THydrogen-bonded Turntrans-58.3-27-179-65.6-177.6175.900113H363E358-H363 PolarHBondContact O-CD2 3.44Å
359E72.7Confident78.9Confident181 Ų18158.8 Ų58.885%0.84634%0.338SS*.THydrogen-bonded Turntrans-82.3-13.2178.6-60.1-176.9172.100113.6S357S357-E359 PolarHBondContact O-N 3.2Å; S357-E359 VanDerWaalsContact O-N 3.12Å
360S77.4Confident78.7Confident31 Ų3154.3 Ų54.322%0.21731%0.307CS..SBendtrans-69.1147-179.5-178.40000111.4V356 S357 L362 H363 N364V356-S360 VanDerWaalsContact CG1-CB 3.4Å; S357-S360 VanDerWaalsContact O-CB 3.27Å; S357-S360 WeakPolarHBondContact O-CB 3.31Å; S357-S360 PolarHBondContact O-N 3.26Å; S360-L362 PolarHBondContact O-N 3.46Å; S360-L362 PolarHBondContact OG-N 2.99Å; S360-H363 PolarHBondContact O-N 3.45Å; S360-N364 PolarHBondContact O-N 3.47Å; S360-N364 PolarHBondContact O-ND2 3.17Å
361W69.8Low78.5Confident55 Ų5555.8 Ų55.821%0.20831%0.309CS..Hα-helixtrans-58.3-38.3173.779.2-87.5000112.3P265 H363 N364 E365 F435 P441P265-W361 HydrophobicContact CG-CH2 4.35Å; P265-W361 HydrophobicContact CG-CZ3 4.35Å; W361-H363 VanDerWaalsContact C-N 3.34Å; W361-H363 PolarHBondContact O-N 3.4Å; W361-N364 PolarHBondContact O-N 2.92Å; W361-E365 HydrophobicContact CE3-CB 4.35Å; W361-E365 HydrophobicContact CZ3-CB 4.45Å; W361-E365 HydrophobicContact CZ3-CG 4.43Å; W361-E365 WeakPolarHBondContact O-CB 3.43Å; W361-E365 PolarHBondContact O-N 3.13Å; W361-F435 HydrophobicContact CB-CD1 4.08Å; W361-F435 HydrophobicContact CB-CE1 3.35Å; W361-F435 HydrophobicContact CB-CZ 3.87Å; W361-F435 AromaticContact CD2-CE1 3.93Å; W361-F435 HydrophobicContact CD2-CE1 3.93Å; W361-F435 AromaticContact CE3-CE1 3.77Å; W361-F435 HydrophobicContact CE3-CE1 3.77Å; W361-F435 HydrophobicContact CE3-CZ 4.39Å; W361-F435 HydrophobicContact CG-CD1 4.43Å; W361-F435 AromaticContact CG-CE1 3.8Å; W361-F435 HydrophobicContact CG-CE1 3.8Å; W361-P441 HydrophobicContact CH2-CG 4.15Å; W361-P441 HydrophobicContact CZ2-CG 3.7Å
362L75.4Confident78.2Confident39 Ų3953.8 Ų53.820%0.20429%0.287CS..Hα-helixtrans-67.1-37-178.2178.262.8000111.1V356 S360 E365 L366V356-L362 HydrophobicContact CG1-CB 4.24Å; V356-L362 HydrophobicContact CG2-CD2 3.89Å; V356-L362 HydrophobicContact CG2-CG 4.46Å; S360-L362 PolarHBondContact O-N 3.46Å; S360-L362 PolarHBondContact OG-N 2.99Å; L362-E365 PolarHBondContact O-N 3.13Å; L362-L366 HydrophobicContact CD1-CD1 4.36Å; L362-L366 HydrophobicContact CD1-CG 4.28Å; L362-L366 HydrophobicContact CG-CD1 4.16Å; L362-L366 WeakPolarHBondContact O-CB 3.47Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 3.37Å
363H79.8Confident77.9Confident27 Ų2754.5 Ų54.513%0.12529%0.291CS..Hα-helixtrans-62.5-46.5174.1-179.391.4000110.9F353 V356 S357 E358 S360 W361 E365 L366 L367F353-H363 AromaticContact CD1-CE1 3.72Å; F353-H363 AromaticContact CD1-ND1 3.65Å; V356-H363 HydrophobicContact CG1-CB 4.02Å; S357-H363 WeakPolarHBondContact O-CB 3.36Å; E358-H363 PolarHBondContact O-CD2 3.44Å; S360-H363 PolarHBondContact O-N 3.45Å; W361-H363 VanDerWaalsContact C-N 3.34Å; W361-H363 PolarHBondContact O-N 3.4Å; H363-E365 PolarHBondContact O-N 3.28Å; H363-L366 PolarHBondContact O-N 3.44Å; H363-L367 WeakPolarHBondContact O-CB 3.08Å; H363-L367 PolarHBondContact O-N 2.96Å
364N74.1Confident77.7Confident50 Ų5054.3 Ų54.327%0.26729%0.29SS..Hα-helixtrans-63.3-42.5178.8-70.6-63.1000112.6S360 W361 L367 Q368S360-N364 PolarHBondContact O-N 3.47Å; S360-N364 PolarHBondContact O-ND2 3.17Å; W361-N364 PolarHBondContact O-N 2.92Å; N364-L367 PolarHBondContact O-N 3.34Å; N364-Q368 VanDerWaalsContact O-CG 3.26Å; N364-Q368 WeakPolarHBondContact O-CG 3.4Å; N364-Q368 PolarHBondContact O-N 3.18Å; N364-Q368 PolarHBondContact O-OE1 3.29Å
365E76.4Confident77.4Confident39 Ų3951.3 Ų51.318%0.18228%0.277CS..Hα-helixtrans-57.7-50.7173.9179.170.5-155.800111W361 L362 H363 L367 Q368 Q369W361-E365 HydrophobicContact CE3-CB 4.35Å; W361-E365 HydrophobicContact CZ3-CB 4.45Å; W361-E365 HydrophobicContact CZ3-CG 4.43Å; W361-E365 WeakPolarHBondContact O-CB 3.43Å; W361-E365 PolarHBondContact O-N 3.13Å; L362-E365 PolarHBondContact O-N 3.13Å; H363-E365 PolarHBondContact O-N 3.28Å; E365-L367 VanDerWaalsContact C-N 3.32Å; E365-L367 PolarHBondContact O-N 3.01Å; E365-Q368 PolarHBondContact O-N 2.95Å; E365-Q369 WeakPolarHBondContact O-CG 3.19Å; E365-Q369 PolarHBondContact O-N 3.5Å; E365-Q369 PolarHBondContact OE1-NE2 3.24Å
366L82.7Confident77.1Confident13 Ų1351.7 Ų51.77%0.06826%0.257CS..Hα-helixtrans-62-39178.3-72.6173.4000112.2Y352 F353 L362 H363 Q369 A370Y352-L366 HydrophobicContact CE1-CB 3.74Å; Y352-L366 HydrophobicContact CE1-CD2 4.31Å; Y352-L366 WeakPolarHBondContact CE1-O 3.37Å; Y352-L366 HydrophobicContact CE2-CD2 4.11Å; Y352-L366 WeakPolarHBondContact OH-CA 3.36Å; Y352-L366 WeakPolarHBondContact OH-CD2 3.36Å; Y352-L366 PolarHBondContact OH-O 3.03Å; F353-L366 HydrophobicContact CD1-CB 4.09Å; F353-L366 HydrophobicContact CD1-CD1 4.48Å; F353-L366 HydrophobicContact CE1-CB 4.21Å; L362-L366 HydrophobicContact CD1-CD1 4.36Å; L362-L366 HydrophobicContact CD1-CG 4.28Å; L362-L366 HydrophobicContact CG-CD1 4.16Å; L362-L366 WeakPolarHBondContact O-CB 3.47Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 3.37Å; H363-L366 PolarHBondContact O-N 3.44Å; L366-Q369 PolarHBondContact O-N 2.97Å; L366-A370 WeakPolarHBondContact O-CB 3.21Å; L366-A370 PolarHBondContact O-N 3.34Å
367L82.6Confident76.5Confident44 Ų4451 Ų5123%0.2325%0.251CS..Hα-helixtrans-64.5-42.9176.8-175.164.4000111.2W340 I344 F353 H363 N364 E365 A370 Q371W340-L367 HydrophobicContact CH2-CD1 4.17Å; W340-L367 HydrophobicContact CZ2-CD1 3.85Å; I344-L367 HydrophobicContact CD1-CD1 3.94Å; F353-L367 HydrophobicContact CE1-CB 4.34Å; F353-L367 HydrophobicContact CE1-CD1 4.42Å; F353-L367 HydrophobicContact CZ-CD1 4.22Å; H363-L367 WeakPolarHBondContact O-CB 3.08Å; H363-L367 PolarHBondContact O-N 2.96Å; N364-L367 PolarHBondContact O-N 3.34Å; E365-L367 VanDerWaalsContact C-N 3.32Å; E365-L367 PolarHBondContact O-N 3.01Å; L367-A370 PolarHBondContact O-N 3.49Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.26Å; L367-Q371 PolarHBondContact O-N 2.92Å
368Q77Confident76Confident20 Ų2048.7 Ų48.79%0.09323%0.232CC..Hα-helixtrans-64.4-43.4176.8-73.2169.2-57.400111.7T197 V198 N364 E365 A370 Q371 W372T197-Q368 PolarHBondContact O-NE2 3.33Å; T197-Q368 PolarHBondContact O-OE1 3.4Å; V198-Q368 PolarHBondContact O-NE2 3.37Å; N364-Q368 VanDerWaalsContact O-CG 3.26Å; N364-Q368 WeakPolarHBondContact O-CG 3.4Å; N364-Q368 PolarHBondContact O-N 3.18Å; N364-Q368 PolarHBondContact O-OE1 3.29Å; E365-Q368 PolarHBondContact O-N 2.95Å; Q368-A370 VanDerWaalsContact C-N 3.31Å; Q368-A370 PolarHBondContact O-N 3.38Å; Q368-Q371 WeakPolarHBondContact O-CB 3.39Å; Q368-Q371 PolarHBondContact O-N 3.06Å; Q368-W372 VanDerWaalsContact O-CD1 3.24Å; Q368-W372 PolarHBondContact O-N 3.09Å
369Q80.1Confident75.3Confident26 Ų2643.9 Ų43.912%0.12122%0.215CC..Hα-helixtrans-62.4-39.7175.4-67.4177.611.300111.8I36 E365 L366 W372 H373I36-Q369 HydrophobicContact CG2-CB 3.56Å; E365-Q369 WeakPolarHBondContact O-CG 3.19Å; E365-Q369 PolarHBondContact O-N 3.5Å; E365-Q369 PolarHBondContact OE1-NE2 3.24Å; L366-Q369 PolarHBondContact O-N 2.97Å; Q369-W372 WeakPolarHBondContact O-CB 3.45Å; Q369-W372 PolarHBondContact O-N 3.07Å; Q369-H373 PolarHBondContact O-N 3.36Å
370A83.7Confident74.5Confident0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-64.9-40.7174.600000112.2I36 W340 F343 I344 L347 Y352 L366 L367 Q368 H373 F374I36-A370 HydrophobicContact CD1-CB 4.21Å; W340-A370 HydrophobicContact CH2-CB 4.31Å; F343-A370 HydrophobicContact CE1-CB 4.26Å; I344-A370 HydrophobicContact CD1-CB 4.46Å; L347-A370 HydrophobicContact CD1-CB 3.53Å; Y352-A370 HydrophobicContact CE1-CB 4.13Å; L366-A370 WeakPolarHBondContact O-CB 3.21Å; L366-A370 PolarHBondContact O-N 3.34Å; L367-A370 PolarHBondContact O-N 3.49Å; Q368-A370 VanDerWaalsContact C-N 3.31Å; Q368-A370 PolarHBondContact O-N 3.38Å; A370-H373 PolarHBondContact O-N 3.23Å; A370-F374 VanDerWaalsContact O-CB 3.31Å; A370-F374 WeakPolarHBondContact O-CB 3.37Å; A370-F374 PolarHBondContact O-N 3.46Å
371Q78.8Confident73.1Confident76 Ų7644 Ų4436%0.35521%0.213SC..Hα-helixtrans-59.5-48.6173.7-73.9174.5-4.700111.1W340 L367 Q368 H373 F374 L375W340-Q371 HydrophobicContact CH2-CB 4.03Å; W340-Q371 HydrophobicContact CH2-CG 3.13Å; W340-Q371 HydrophobicContact CZ2-CG 3.48Å; W340-Q371 VanDerWaalsContact CZ2-CG 3.48Å; W340-Q371 HydrophobicContact CZ3-CB 4.27Å; W340-Q371 HydrophobicContact CZ3-CG 3.76Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.26Å; L367-Q371 PolarHBondContact O-N 2.92Å; Q368-Q371 WeakPolarHBondContact O-CB 3.39Å; Q368-Q371 PolarHBondContact O-N 3.06Å; Q371-H373 PolarHBondContact O-N 3.48Å; Q371-F374 WeakPolarHBondContact O-CB 3.48Å; Q371-F374 PolarHBondContact O-N 2.74Å; Q371-L375 WeakPolarHBondContact O-CB 3.37Å; Q371-L375 WeakPolarHBondContact O-CD1 3.44Å; Q371-L375 VanDerWaalsContact O-CG 3.25Å; Q371-L375 WeakPolarHBondContact O-CG 3.3Å; Q371-L375 PolarHBondContact O-N 2.95Å
372W75.1Confident71.5Confident48 Ų4846.2 Ų46.218%0.18223%0.234CC..Hα-helixtrans-54.3-51.4176.6-89.5111.9000112.4F199 G200 Y329 Q368 Q369 F374 L375 E376 F411F199-W372 WeakPolarHBondContact O-CZ2 3.45Å; G200-W372 PolarHBondContact O-NE1 3.01Å; Y329-W372 AromaticContact CD2-CH2 3.62Å; Y329-W372 HydrophobicContact CD2-CH2 3.62Å; Y329-W372 HydrophobicContact CD2-CZ2 4.46Å; Y329-W372 AromaticContact CD2-CZ3 3.96Å; Y329-W372 HydrophobicContact CD2-CZ3 3.96Å; Y329-W372 AromaticContact CE2-CH2 3.62Å; Y329-W372 HydrophobicContact CE2-CH2 3.62Å; Y329-W372 AromaticContact CE2-CZ3 3.81Å; Y329-W372 HydrophobicContact CE2-CZ3 3.81Å; Q368-W372 VanDerWaalsContact O-CD1 3.24Å; Q368-W372 PolarHBondContact O-N 3.09Å; Q369-W372 WeakPolarHBondContact O-CB 3.45Å; Q369-W372 PolarHBondContact O-N 3.07Å; W372-F374 PolarHBondContact O-N 3.33Å; W372-L375 PolarHBondContact O-N 2.87Å; W372-E376 WeakPolarHBondContact O-CB 3.39Å; W372-E376 PolarHBondContact O-N 3.24Å; W372-F411 HydrophobicContact CH2-CD1 4.41Å; W372-F411 AromaticContact CH2-CE1 3.42Å; W372-F411 HydrophobicContact CH2-CE1 3.42Å; W372-F411 VanDerWaalsContact CH2-CE1 3.42Å; W372-F411 AromaticContact CH2-CE2 3.81Å; W372-F411 HydrophobicContact CH2-CE2 3.81Å; W372-F411 AromaticContact CH2-CZ 3.12Å; W372-F411 HydrophobicContact CH2-CZ 3.12Å; W372-F411 AromaticContact CZ2-CE1 3.76Å; W372-F411 HydrophobicContact CZ2-CE1 3.76Å; W372-F411 AromaticContact CZ2-CZ 3.5Å; W372-F411 HydrophobicContact CZ2-CZ 3.5Å; W372-F411 HydrophobicContact CZ3-CE1 4.42Å; W372-F411 HydrophobicContact CZ3-CZ 4.3Å
373H78.7Confident69.8Low15 Ų1547.5 Ų47.57%0.06925%0.245CC..Hα-helixtrans-63-41.3178.3-177.2-79.8000112.4I36 F343 Q369 A370 Q371 L375 F377I36-H373 HydrophobicContact CD1-CB 4.05Å; I36-H373 HydrophobicContact CG1-CB 3.53Å; I36-H373 VanDerWaalsContact CG1-CG 3.48Å; F343-H373 AromaticContact CZ-ND1 3.91Å; Q369-H373 PolarHBondContact O-N 3.36Å; A370-H373 PolarHBondContact O-N 3.23Å; Q371-H373 PolarHBondContact O-N 3.48Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.04Å; H373-F377 HydrophobicContact CB-CD2 4.45Å; H373-F377 AromaticContact CD2-CD2 3.64Å; H373-F377 AromaticContact CD2-CE2 3.87Å; H373-F377 AromaticContact CG-CD2 3.88Å; H373-F377 AromaticContact NE2-CD2 3.91Å; H373-F377 VanDerWaalsContact O-CD2 3.3Å; H373-F377 WeakPolarHBondContact O-CD2 3.39Å; H373-F377 PolarHBondContact O-N 3.33Å; H373-F377 VanDerWaalsContact O-N 3.17Å
374F80.4Confident67.5Low15 Ų1549 Ų497%0.06627%0.268CS..Hα-helixtrans-58.3-43.3176.8177-91.9000111.8S336 K339 W340 F343 A370 Q371 W372 L378S336-F374 WeakPolarHBondContact O-CZ 3.06Å; K339-F374 VanDerWaalsContact C-CE2 3.47Å; K339-F374 HydrophobicContact CB-CE2 3.93Å; K339-F374 HydrophobicContact CB-CZ 3.67Å; W340-F374 VanDerWaalsContact CA-CE2 3.49Å; W340-F374 HydrophobicContact CB-CE1 4.01Å; W340-F374 HydrophobicContact CB-CE2 4.2Å; W340-F374 HydrophobicContact CB-CZ 3.84Å; W340-F374 HydrophobicContact CE3-CB 3.82Å; W340-F374 AromaticContact CE3-CD1 3.86Å; W340-F374 HydrophobicContact CE3-CD1 3.86Å; W340-F374 AromaticContact CE3-CD2 3.88Å; W340-F374 HydrophobicContact CE3-CD2 3.88Å; W340-F374 HydrophobicContact CE3-CE1 4.43Å; W340-F374 HydrophobicContact CE3-CE2 4.48Å; W340-F374 AromaticContact CE3-CG 3.57Å; W340-F374 HydrophobicContact CE3-CG 3.57Å; W340-F374 HydrophobicContact CZ3-CB 3.78Å; W340-F374 HydrophobicContact CZ3-CG 4.08Å; W340-F374 VanDerWaalsContact N-CZ 3.27Å; F343-F374 HydrophobicContact CB-CD2 3.78Å; F343-F374 HydrophobicContact CB-CE2 4.03Å; F343-F374 HydrophobicContact CD1-CB 3.99Å; F343-F374 AromaticContact CD1-CD2 3.71Å; F343-F374 HydrophobicContact CD1-CD2 3.71Å; F343-F374 HydrophobicContact CD1-CG 4.26Å; F343-F374 HydrophobicContact CD2-CD2 4.45Å; F343-F374 HydrophobicContact CE1-CB 3.93Å; F343-F374 HydrophobicContact CE1-CD2 4.38Å; F343-F374 AromaticContact CG-CD2 3.73Å; F343-F374 HydrophobicContact CG-CD2 3.73Å; F343-F374 HydrophobicContact CG-CE2 4.44Å; A370-F374 VanDerWaalsContact O-CB 3.31Å; A370-F374 WeakPolarHBondContact O-CB 3.37Å; A370-F374 PolarHBondContact O-N 3.46Å; Q371-F374 WeakPolarHBondContact O-CB 3.48Å; Q371-F374 PolarHBondContact O-N 2.74Å; W372-F374 PolarHBondContact O-N 3.33Å; F374-L378 HydrophobicContact CB-CD1 4.43Å; F374-L378 HydrophobicContact CD2-CD1 3.14Å; F374-L378 HydrophobicContact CE2-CD1 3.37Å; F374-L378 HydrophobicContact CG-CD1 3.92Å; F374-L378 HydrophobicContact CZ-CD1 4.33Å; F374-L378 WeakPolarHBondContact O-CB 3.25Å; F374-L378 PolarHBondContact O-N 3.14Å
375L72.4Confident65.3Low45 Ų4552.1 Ų52.124%0.23629%0.291CS..Hα-helixtrans-76.1-36.8-175.9-69.1161.7000113.5Y329 Q371 W372 H373 P379Y329-L375 HydrophobicContact CG-CD1 3.94Å; Q371-L375 WeakPolarHBondContact O-CB 3.37Å; Q371-L375 WeakPolarHBondContact O-CD1 3.44Å; Q371-L375 VanDerWaalsContact O-CG 3.25Å; Q371-L375 WeakPolarHBondContact O-CG 3.3Å; Q371-L375 PolarHBondContact O-N 2.95Å; W372-L375 PolarHBondContact O-N 2.87Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.04Å; L375-P379 VanDerWaalsContact O-CD 3.24Å; L375-P379 WeakPolarHBondContact O-CD 3.44Å; L375-P379 WeakPolarHBondContact O-CG 3.47Å
376E71.2Confident63.1Low90 Ų9054.1 Ų54.142%0.42131%0.307SS..Hα-helixtrans-75.2-38.5-178.3-174.760.5-163.900111.9W372W372-E376 WeakPolarHBondContact O-CB 3.39Å; W372-E376 PolarHBondContact O-N 3.24Å
377F68.2Low60.6Low19 Ų1957.2 Ų57.28%0.08332%0.323CS..Hα-helixtrans-106.1-23.5-164.7-64.9-78.8000116.3R24 I28 P44 F45 K46 H373R24-F377 PolarHBondContact NH2-O 2.88Å; I28-F377 HydrophobicContact CD1-CB 4.45Å; I28-F377 HydrophobicContact CG2-CB 3.86Å; P44-F377 HydrophobicContact CB-CZ 3.83Å; P44-F377 HydrophobicContact CG-CE1 4.44Å; P44-F377 HydrophobicContact CG-CE2 4.45Å; P44-F377 HydrophobicContact CG-CZ 3.58Å; F45-F377 WeakPolarHBondContact O-CE1 3.23Å; K46-F377 HydrophobicContact CG-CD1 4.49Å; K46-F377 HydrophobicContact CG-CE1 3.64Å; H373-F377 HydrophobicContact CB-CD2 4.45Å; H373-F377 AromaticContact CD2-CD2 3.64Å; H373-F377 AromaticContact CD2-CE2 3.87Å; H373-F377 AromaticContact CG-CD2 3.88Å; H373-F377 AromaticContact NE2-CD2 3.91Å; H373-F377 VanDerWaalsContact O-CD2 3.3Å; H373-F377 WeakPolarHBondContact O-CD2 3.39Å; H373-F377 PolarHBondContact O-N 3.33Å; H373-F377 VanDerWaalsContact O-N 3.17Å
378L64.9Low57.9Low32 Ų3259.2 Ų59.217%0.16834%0.34CS..SBendtrans-91.1-26.6-174.4-69.8166000116.7F343 F374 D380F343-L378 HydrophobicContact CD2-CD1 4.47Å; F374-L378 HydrophobicContact CB-CD1 4.43Å; F374-L378 HydrophobicContact CD2-CD1 3.14Å; F374-L378 HydrophobicContact CE2-CD1 3.37Å; F374-L378 HydrophobicContact CG-CD1 3.92Å; F374-L378 HydrophobicContact CZ-CD1 4.33Å; F374-L378 WeakPolarHBondContact O-CB 3.25Å; F374-L378 PolarHBondContact O-N 3.14Å; L378-D380 PolarHBondContact O-N 3.37Å
379P60.2Low55.6Low57 Ų5764.3 Ų64.337%0.3738%0.377SS..SBendtrans-62.7131.9166.4-17.931000108.7L375 K381L375-P379 VanDerWaalsContact O-CD 3.24Å; L375-P379 WeakPolarHBondContact O-CD 3.44Å; L375-P379 WeakPolarHBondContact O-CG 3.47Å; P379-K381 HydrophobicContact CB-CG 4.31Å; P379-K381 PolarHBondContact O-N 2.89Å
380D55.6Low53.2Low86 Ų8666.8 Ų66.846%0.4640%0.398SS..  trans-67.767.1163.6-76.2-28.7000108.1S21 R24 L378 P382S21-D380 PolarHBondContact OG-OD1 2.81Å; S21-D380 PolarHBondContact OG-OD2 2.87Å; R24-D380 IonicContact CZ-OD1 3.88Å; R24-D380 IonicContact NH1-OD1 3.81Å; R24-D380 PolarHBondContact NH1-OD1 2.72Å; L378-D380 PolarHBondContact O-N 3.37Å; D380-P382 WeakPolarHBondContact O-CD 3.22Å
381K48.1Very low50.9Low128 Ų12872.8 Ų72.856%0.55744%0.44SS*.  trans-72.6109.2164.4-80.5-178.7-176.5171.90105.7P379P379-K381 HydrophobicContact CB-CG 4.31Å; P379-K381 PolarHBondContact O-N 2.89Å
382P36.4Very low48.5Very low102 Ų10274.2 Ų74.266%0.66245%0.449SS*.PPolyproline II helixtrans-58.9145.9169.827-32.8000107.9D380 G384D380-P382 WeakPolarHBondContact O-CD 3.22Å; P382-G384 PolarHBondContact O-N 2.91Å
383P39.2Very low46.5Very low66 Ų6678.1 Ų78.143%0.42947%0.47SS..PPolyproline II helixtrans-56.9146.5169.328.2-34.1000108.1
384G30.8Very low44.4Very low59 Ų5982 Ų8261%0.60850%0.499SS*.SBendtrans-50.1156.6150.100000108.6P382P382-G384 PolarHBondContact O-N 2.91Å
385P28.4Very low41.9Very low114 Ų11486.7 Ų86.774%0.7452%0.524SS*.SBendtrans-45.8134.6-166.719.5-32.2000111.5I387P385-I387 PolarHBondContact O-N 2.77Å
386P30.7Very low40Very low81 Ų8185.3 Ų85.353%0.52652%0.518SS..  trans-56.5112.1-175.421.7-31.7000109.2C388P386-C388 PolarHBondContact O-N 3.44Å
387I30.9Very low38.6Very low79 Ų7982.8 Ų82.841%0.40551%0.507SS..SBendtrans-7862.2172.7-45.4174000107.4P385 C396P385-I387 PolarHBondContact O-N 2.77Å; I387-C396 HydrophobicContact CB-CB 4.37Å; I387-C396 HydrophobicContact CG2-CB 3.44Å; I387-C396 VanDerWaalsContact CG2-CB 3.44Å
388C25.3Very low37.3Very low86 Ų8685.8 Ų85.858%0.58153%0.527SS*.  trans-169.874.2166.6-101.80000109.1P386P386-C388 PolarHBondContact O-N 3.44Å
389S29.1Very low36.4Very low126 Ų12688.4 Ų88.488%0.88154%0.539SS*.SBendtrans-130.69.6153.761.50000112.7
390S28.7Very low36.1Very low79 Ų7988.2 Ų88.255%0.55254%0.537SS*.SBendtrans-117.2131.9171.654.10000109.1D392S390-D392 PolarHBondContact O-N 3.01Å
391S35.7Very low36.1Very low126 Ų12685.1 Ų85.188%0.88152%0.521SS*.SBendtrans-58.322.2179.524.80000116.2
392D28.6Very low36.8Very low105 Ų10584.4 Ų84.456%0.56152%0.519SS*.  trans-117.375.1179.4-70.9-33.4000110.4S390 S394 L395S390-D392 PolarHBondContact O-N 3.01Å; D392-S394 PolarHBondContact O-N 3.46Å; D392-S394 VanDerWaalsContact O-N 3.14Å; D392-L395 PolarHBondContact O-N 3.43Å
393E33.6Very low38.6Very low131 Ų13182.7 Ų82.761%0.61251%0.505SS*.Hα-helixtrans-61.4-16.2176.5-67.6-175.7159.300113.4C396 N397E393-C396 PolarHBondContact O-SG 3.21Å; E393-N397 PolarHBondContact O-ND2 2.89Å
394S33.5Very low40.5Very low96 Ų9681.2 Ų81.267%0.67149%0.493SS*.Hα-helixtrans-73.8-28.4179.165.30000113.6D392D392-S394 PolarHBondContact O-N 3.46Å; D392-S394 VanDerWaalsContact O-N 3.14Å
395L28.8Very low43.1Very low113 Ų11379.3 Ų79.359%0.59247%0.468SS*.Hα-helixtrans-93.3-25.4-173.7-148.881.4000113.3D392 N397D392-L395 PolarHBondContact O-N 3.43Å; L395-N397 VanDerWaalsContact C-N 3.3Å; L395-N397 PolarHBondContact O-N 3.37Å
396C31.8Very low45.7Very low17 Ų1776.7 Ų76.712%0.11545%0.446CS..Hα-helixtrans-69-31.2178.368.70000112.1I387 E393 T400I387-C396 HydrophobicContact CB-CB 4.37Å; I387-C396 HydrophobicContact CG2-CB 3.44Å; I387-C396 VanDerWaalsContact CG2-CB 3.44Å; E393-C396 PolarHBondContact O-SG 3.21Å; C396-T400 PolarHBondContact O-N 3.32Å
397N42.9Very low48.2Very low36 Ų3678.8 Ų78.819%0.19345%0.447CS..Hα-helixtrans-74.4-44.9-170.5-75-33.3000113.4R2 E393 L395 Q399 T400 T401R2-N397 PolarHBondContact NH1-O 3.45Å; R2-N397 PolarHBondContact NH2-O 3.09Å; E393-N397 PolarHBondContact O-ND2 2.89Å; L395-N397 VanDerWaalsContact C-N 3.3Å; L395-N397 PolarHBondContact O-N 3.37Å; N397-Q399 PolarHBondContact O-N 3.17Å; N397-T400 PolarHBondContact O-N 2.96Å; N397-T400 PolarHBondContact O-OG1 3.34Å; N397-T401 PolarHBondContact O-N 3.49Å
398T41.2Very low50.8Low83 Ų8376.7 Ų76.751%0.50944%0.435SS..Hα-helixtrans-63.7-33.2177.752.50000112T401 Q402T398-T401 PolarHBondContact O-OG1 3.28Å; T398-Q402 WeakPolarHBondContact O-CB 3.48Å; T398-Q402 PolarHBondContact O-N 2.99Å
399Q45.8Very low53.8Low87 Ų8772.6 Ų72.641%0.40741%0.408SS..Hα-helixtrans-67.6-40.4176-65.8179.515.500112.2N397 Q402 N403N397-Q399 PolarHBondContact O-N 3.17Å; Q399-Q402 PolarHBondContact O-N 3.4Å; Q399-N403 WeakPolarHBondContact O-CB 2.92Å; Q399-N403 PolarHBondContact O-N 3.42Å; Q399-N403 PolarHBondContact O-ND2 3.42Å; Q399-N403 PolarHBondContact O-OD1 2.96Å
400T54.1Low56.4Low53 Ų5369 Ų6933%0.32538%0.377SS..Hα-helixtrans-66-43.4-177.951.70000113.6R2 C396 N397 N403 N404R2-T400 PolarHBondContact NH1-OG1 3.47Å; C396-T400 PolarHBondContact O-N 3.32Å; N397-T400 PolarHBondContact O-N 2.96Å; N397-T400 PolarHBondContact O-OG1 3.34Å; T400-N403 PolarHBondContact O-N 2.86Å; T400-N404 WeakPolarHBondContact O-CB 3.1Å; T400-N404 VanDerWaalsContact O-CG 3.25Å; T400-N404 PolarHBondContact O-N 2.94Å
401T55.3Low59Low21 Ų2166.3 Ų66.313%0.12936%0.355CS..Hα-helixtrans-68.8-42.2175.943.70000112.2R2 N397 T398 N403 N404 F405R2-T401 VanDerWaalsContact NH2-CG2 3.3Å; R2-T401 PolarHBondContact NH2-OG1 3.3Å; N397-T401 PolarHBondContact O-N 3.49Å; T398-T401 PolarHBondContact O-OG1 3.28Å; T401-N403 PolarHBondContact O-N 2.87Å; T401-N404 CarbonylContact O-C 3.6Å; T401-N404 PolarHBondContact O-N 2.88Å; T401-N404 VanDerWaalsContact O-N 3.12Å; T401-F405 VanDerWaalsContact O-CG 3.3Å; T401-F405 WeakPolarHBondContact O-CG 3.38Å; T401-F405 PolarHBondContact O-N 3.17Å
402Q61.7Low61.4Low113 Ų11360.3 Ų60.353%0.52831%0.313SS..Hα-helixtrans-63.7-37.4177.2-171.4172.6-3.600110.5T398 Q399 F405 Q406T398-Q402 WeakPolarHBondContact O-CB 3.48Å; T398-Q402 PolarHBondContact O-N 2.99Å; Q399-Q402 PolarHBondContact O-N 3.4Å; Q402-F405 PolarHBondContact O-N 2.74Å; Q402-Q406 WeakPolarHBondContact O-CB 3.27Å; Q402-Q406 PolarHBondContact O-N 3.34Å
403N74.2Confident64.1Low66 Ų6656.4 Ų56.435%0.35329%0.291SS..Hα-helixtrans-64.9-40.4171.6-70.8-20.4000111.9Q399 T400 T401 Q406 K407Q399-N403 WeakPolarHBondContact O-CB 2.92Å; Q399-N403 PolarHBondContact O-N 3.42Å; Q399-N403 PolarHBondContact O-ND2 3.42Å; Q399-N403 PolarHBondContact O-OD1 2.96Å; T400-N403 PolarHBondContact O-N 2.86Å; T401-N403 PolarHBondContact O-N 2.87Å; N403-Q406 PolarHBondContact O-N 2.97Å; N403-K407 WeakPolarHBondContact O-CB 3.28Å; N403-K407 VanDerWaalsContact O-CG 3.25Å; N403-K407 WeakPolarHBondContact O-CG 3.37Å; N403-K407 PolarHBondContact O-N 2.84Å
404N78.7Confident66.4Low34 Ų3450.7 Ų50.718%0.18227%0.265CS..Hα-helixtrans-66.7-44.6176.1-74.2-10.9000111.1T400 T401 Q406 K407 H408T400-N404 WeakPolarHBondContact O-CB 3.1Å; T400-N404 VanDerWaalsContact O-CG 3.25Å; T400-N404 PolarHBondContact O-N 2.94Å; T401-N404 CarbonylContact O-C 3.6Å; T401-N404 PolarHBondContact O-N 2.88Å; T401-N404 VanDerWaalsContact O-N 3.12Å; N404-Q406 VanDerWaalsContact C-N 3.32Å; N404-Q406 PolarHBondContact O-N 3.46Å; N404-K407 PolarHBondContact O-N 2.96Å; N404-H408 WeakPolarHBondContact O-CB 3.31Å; N404-H408 PolarHBondContact O-N 3.28Å; N404-H408 PolarHBondContact O-ND1 3.11Å; N404-H408 VanDerWaalsContact O-ND1 3.15Å
405F85.9Confident68.8Low19 Ų1946.1 Ų46.18%0.08323%0.233CC..Hα-helixtrans-60.4-42.2173.1-64-20.2000111.4D210 V211 L313 F316 T401 Q402 S409D210-F405 HydrophobicContact CB-CE1 3.95Å; D210-F405 HydrophobicContact CB-CZ 3.87Å; V211-F405 HydrophobicContact CG2-CD1 3.82Å; V211-F405 HydrophobicContact CG2-CD2 3.82Å; V211-F405 HydrophobicContact CG2-CE1 3.78Å; V211-F405 HydrophobicContact CG2-CE2 3.77Å; V211-F405 HydrophobicContact CG2-CG 3.86Å; V211-F405 HydrophobicContact CG2-CZ 3.75Å; L313-F405 HydrophobicContact CD1-CB 3.95Å; L313-F405 HydrophobicContact CD1-CD1 4.17Å; L313-F405 HydrophobicContact CD1-CG 4.28Å; F316-F405 HydrophobicContact CB-CB 4.44Å; F316-F405 HydrophobicContact CD1-CB 4.1Å; F316-F405 HydrophobicContact CD2-CB 4.32Å; F316-F405 HydrophobicContact CE1-CB 4.44Å; F316-F405 HydrophobicContact CE1-CD2 4.12Å; F316-F405 HydrophobicContact CE2-CD2 4.37Å; F316-F405 HydrophobicContact CG-CB 4.04Å; F316-F405 AromaticContact CZ-CD2 3.99Å; F316-F405 HydrophobicContact CZ-CD2 3.99Å; T401-F405 VanDerWaalsContact O-CG 3.3Å; T401-F405 WeakPolarHBondContact O-CG 3.38Å; T401-F405 PolarHBondContact O-N 3.17Å; Q402-F405 PolarHBondContact O-N 2.74Å; F405-S409 WeakPolarHBondContact O-CA 3.22Å; F405-S409 WeakPolarHBondContact O-CB 3.48Å; F405-S409 PolarHBondContact O-N 3.09Å; F405-S409 PolarHBondContact O-OG 3.27Å; F405-S409 VanDerWaalsContact O-OG 3.07Å
406Q84.1Confident71.4Confident60 Ų6040.8 Ų40.828%0.2821%0.205SC..Hα-helixtrans-61.2-48.5175-174.2172-8.500111.1E321 Q402 N403 N404 S409 Q410E321-Q406 PolarHBondContact OE2-NE2 2.8Å; Q402-Q406 WeakPolarHBondContact O-CB 3.27Å; Q402-Q406 PolarHBondContact O-N 3.34Å; N403-Q406 PolarHBondContact O-N 2.97Å; N404-Q406 VanDerWaalsContact C-N 3.32Å; N404-Q406 PolarHBondContact O-N 3.46Å; Q406-S409 WeakPolarHBondContact CA-OG 3.23Å; Q406-S409 PolarHBondContact O-N 3.36Å; Q406-S409 PolarHBondContact O-OG 3.44Å; Q406-Q410 WeakPolarHBondContact O-CB 3.39Å; Q406-Q410 VanDerWaalsContact O-CG 3.27Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 3.01Å
407K82.3Confident73.8Confident125 Ų12542.7 Ų42.754%0.54322%0.215SC..Hα-helixtrans-59.2-50.6176.4-73.5171.4-176.9177.40112.5N403 N404 S409 Q410 F411N403-K407 WeakPolarHBondContact O-CB 3.28Å; N403-K407 VanDerWaalsContact O-CG 3.25Å; N403-K407 WeakPolarHBondContact O-CG 3.37Å; N403-K407 PolarHBondContact O-N 2.84Å; N404-K407 PolarHBondContact O-N 2.96Å; K407-S409 VanDerWaalsContact C-N 3.32Å; K407-S409 PolarHBondContact O-N 3.17Å; K407-Q410 PolarHBondContact O-N 3.38Å; K407-F411 VanDerWaalsContact O-CB 3.32Å; K407-F411 WeakPolarHBondContact O-CB 3.41Å; K407-F411 PolarHBondContact O-N 2.73Å
408H85.9Confident75.6Confident35 Ų3542.8 Ų42.816%0.16221%0.212CC..Hα-helixtrans-64.7-38.3178.9-61.4146.5000111.2S207 L313 N404 F411 V412S207-H408 PolarHBondContact OG-CE1 3.13Å; S207-H408 PolarHBondContact OG-ND1 3.38Å; L313-H408 HydrophobicContact CD1-CB 4.43Å; L313-H408 HydrophobicContact CD2-CB 4.16Å; N404-H408 WeakPolarHBondContact O-CB 3.31Å; N404-H408 PolarHBondContact O-N 3.28Å; N404-H408 PolarHBondContact O-ND1 3.11Å; N404-H408 VanDerWaalsContact O-ND1 3.15Å; H408-F411 PolarHBondContact O-N 3.05Å; H408-V412 VanDerWaalsContact O-CG2 3.24Å; H408-V412 WeakPolarHBondContact O-CG2 3.38Å; H408-V412 PolarHBondContact O-N 3.45Å
409S87.7Confident77.5Confident0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-65.9-44.5176.675.20000112.3L313 F316 V317 F405 Q406 K407 F411 V412 Y413L313-S409 WeakPolarHBondContact O-CB 3.38Å; F316-S409 VanDerWaalsContact C-OG 3.27Å; V317-S409 VanDerWaalsContact CG2-O 3.32Å; V317-S409 WeakPolarHBondContact CG2-O 3.44Å; V317-S409 PolarHBondContact N-OG 3.34Å; F405-S409 WeakPolarHBondContact O-CA 3.22Å; F405-S409 WeakPolarHBondContact O-CB 3.48Å; F405-S409 PolarHBondContact O-N 3.09Å; F405-S409 PolarHBondContact O-OG 3.27Å; F405-S409 VanDerWaalsContact O-OG 3.07Å; Q406-S409 WeakPolarHBondContact CA-OG 3.23Å; Q406-S409 PolarHBondContact O-N 3.36Å; Q406-S409 PolarHBondContact O-OG 3.44Å; K407-S409 VanDerWaalsContact C-N 3.32Å; K407-S409 PolarHBondContact O-N 3.17Å; S409-F411 VanDerWaalsContact C-N 3.29Å; S409-F411 PolarHBondContact O-N 2.8Å; S409-V412 PolarHBondContact O-N 3.08Å; S409-Y413 WeakPolarHBondContact O-CB 3.22Å; S409-Y413 PolarHBondContact O-N 3.04Å
410Q83.8Confident79.3Confident51 Ų5135.6 Ų35.624%0.23817%0.173CC..Hα-helixtrans-60-44.4174.2-75168-7.400110E321 Q406 K407 Y413 S414E321-Q410 VanDerWaalsContact CD-NE2 3.26Å; E321-Q410 PolarHBondContact OE2-NE2 2.82Å; Q406-Q410 WeakPolarHBondContact O-CB 3.39Å; Q406-Q410 VanDerWaalsContact O-CG 3.27Å; Q406-Q410 WeakPolarHBondContact O-CG 3.4Å; Q406-Q410 PolarHBondContact O-N 3.01Å; K407-Q410 PolarHBondContact O-N 3.38Å; Q410-Y413 WeakPolarHBondContact O-CB 2.93Å; Q410-Y413 PolarHBondContact O-N 3.32Å; Q410-S414 WeakPolarHBondContact O-CB 3.2Å; Q410-S414 PolarHBondContact O-N 3.11Å; Q410-S414 PolarHBondContact O-OG 2.72Å
411F83.1Confident80.6Confident21 Ų2137.8 Ų37.89%0.09218%0.183CC..Hα-helixtrans-61.5-49.5178.4-178.2-112.8000112.3F199 I204 F326 Y329 W372 K407 H408 S409 Y413 S414 I415F199-F411 WeakPolarHBondContact O-CE1 3.41Å; I204-F411 HydrophobicContact CD1-CD1 3.57Å; I204-F411 HydrophobicContact CD1-CE1 3.65Å; I204-F411 HydrophobicContact CG1-CD1 4.42Å; F326-F411 AromaticContact CE2-CD2 3.86Å; F326-F411 HydrophobicContact CE2-CD2 3.86Å; F326-F411 AromaticContact CE2-CE2 3.8Å; F326-F411 HydrophobicContact CE2-CE2 3.8Å; F326-F411 AromaticContact CZ-CD2 3.95Å; F326-F411 HydrophobicContact CZ-CD2 3.95Å; F326-F411 AromaticContact CZ-CE2 3.55Å; F326-F411 HydrophobicContact CZ-CE2 3.55Å; F326-F411 HydrophobicContact CZ-CZ 4.5Å; Y329-F411 AromaticContact CD2-CE2 3.9Å; Y329-F411 HydrophobicContact CD2-CE2 3.9Å; Y329-F411 HydrophobicContact CD2-CZ 4.37Å; Y329-F411 AromaticContact CE2-CD2 3.85Å; Y329-F411 HydrophobicContact CE2-CD2 3.85Å; Y329-F411 AromaticContact CE2-CE2 3.32Å; Y329-F411 HydrophobicContact CE2-CE2 3.32Å; Y329-F411 HydrophobicContact CE2-CZ 4.04Å; W372-F411 HydrophobicContact CH2-CD1 4.41Å; W372-F411 AromaticContact CH2-CE1 3.42Å; W372-F411 HydrophobicContact CH2-CE1 3.42Å; W372-F411 VanDerWaalsContact CH2-CE1 3.42Å; W372-F411 AromaticContact CH2-CE2 3.81Å; W372-F411 HydrophobicContact CH2-CE2 3.81Å; W372-F411 AromaticContact CH2-CZ 3.12Å; W372-F411 HydrophobicContact CH2-CZ 3.12Å; W372-F411 AromaticContact CZ2-CE1 3.76Å; W372-F411 HydrophobicContact CZ2-CE1 3.76Å; W372-F411 AromaticContact CZ2-CZ 3.5Å; W372-F411 HydrophobicContact CZ2-CZ 3.5Å; W372-F411 HydrophobicContact CZ3-CE1 4.42Å; W372-F411 HydrophobicContact CZ3-CZ 4.3Å; K407-F411 VanDerWaalsContact O-CB 3.32Å; K407-F411 WeakPolarHBondContact O-CB 3.41Å; K407-F411 PolarHBondContact O-N 2.73Å; H408-F411 PolarHBondContact O-N 3.05Å; S409-F411 VanDerWaalsContact C-N 3.29Å; S409-F411 PolarHBondContact O-N 2.8Å; F411-Y413 VanDerWaalsContact C-N 3.32Å; F411-Y413 PolarHBondContact O-N 3.35Å; F411-S414 PolarHBondContact O-N 3.04Å; F411-I415 HydrophobicContact CD1-CD1 3.69Å; F411-I415 HydrophobicContact CE1-CD1 3.1Å; F411-I415 HydrophobicContact CE1-CG1 4.06Å; F411-I415 HydrophobicContact CE2-CD1 4.02Å; F411-I415 HydrophobicContact CE2-CG1 4.08Å; F411-I415 HydrophobicContact CG-CD1 4.32Å; F411-I415 HydrophobicContact CZ-CD1 3.22Å; F411-I415 HydrophobicContact CZ-CG1 3.69Å; F411-I415 WeakPolarHBondContact O-CG1 3.31Å; F411-I415 PolarHBondContact O-N 2.87Å
412V86.3Confident81.7Confident0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-58.7-44.4174.7174.20000110.8V195 I204 L310 L313 L314 H408 S409 S414 I415 L416V195-V412 HydrophobicContact CG1-CG1 4.41Å; V195-V412 HydrophobicContact CG1-CG2 4.47Å; I204-V412 HydrophobicContact CD1-CG2 4.02Å; I204-V412 HydrophobicContact CG1-CG2 4.41Å; I204-V412 HydrophobicContact CG2-CG2 3.66Å; L310-V412 HydrophobicContact CD1-CG1 3.86Å; L310-V412 HydrophobicContact CD1-CG2 4Å; L310-V412 HydrophobicContact CG-CG1 4.46Å; L313-V412 HydrophobicContact CD2-CG2 4.39Å; L314-V412 HydrophobicContact CD1-CG1 4.42Å; L314-V412 HydrophobicContact CD2-CB 4.23Å; L314-V412 HydrophobicContact CD2-CG1 3.83Å; L314-V412 HydrophobicContact CG-CG1 4.15Å; H408-V412 VanDerWaalsContact O-CG2 3.24Å; H408-V412 WeakPolarHBondContact O-CG2 3.38Å; H408-V412 PolarHBondContact O-N 3.45Å; S409-V412 PolarHBondContact O-N 3.08Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 3.33Å; V412-I415 PolarHBondContact O-N 2.92Å; V412-L416 HydrophobicContact CG1-CD1 3.94Å; V412-L416 HydrophobicContact CG1-CG 4.34Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 3.49Å
413Y84.9Confident82.1Confident24 Ų2442.7 Ų42.79%0.09421%0.206CC..Hα-helixtrans-58.9-44.7177.7-178.4-85.1000112.1W251 V317 Q322 S409 Q410 F411 L416 N417W251-Y413 AromaticContact CH2-CD2 3.65Å; W251-Y413 HydrophobicContact CH2-CD2 3.65Å; W251-Y413 AromaticContact CH2-CE2 3.83Å; W251-Y413 HydrophobicContact CH2-CE2 3.83Å; W251-Y413 AromaticContact CZ2-CD2 3.53Å; W251-Y413 HydrophobicContact CZ2-CD2 3.53Å; W251-Y413 AromaticContact CZ2-CE2 3.56Å; W251-Y413 HydrophobicContact CZ2-CE2 3.56Å; W251-Y413 HydrophobicContact CZ2-CG 4.19Å; V317-Y413 HydrophobicContact CG1-CD2 4.32Å; V317-Y413 HydrophobicContact CG1-CG 4.18Å; V317-Y413 HydrophobicContact CG2-CD2 4.36Å; V317-Y413 HydrophobicContact CG2-CG 4.37Å; Q322-Y413 HydrophobicContact CG-CE1 4.24Å; Q322-Y413 PolarHBondContact NE2-OH 2.99Å; S409-Y413 WeakPolarHBondContact O-CB 3.22Å; S409-Y413 PolarHBondContact O-N 3.04Å; Q410-Y413 WeakPolarHBondContact O-CB 2.93Å; Q410-Y413 PolarHBondContact O-N 3.32Å; F411-Y413 VanDerWaalsContact C-N 3.32Å; F411-Y413 PolarHBondContact O-N 3.35Å; Y413-L416 PolarHBondContact O-N 3.43Å; Y413-N417 WeakPolarHBondContact O-CB 3.32Å; Y413-N417 PolarHBondContact O-N 3.15Å
414S82.8Confident81.5Confident11 Ų1141.8 Ų41.88%0.07721%0.205CC..Hα-helixtrans-67.7-37.9179.4-60.60000112.3F326 Q410 F411 V412 N417 Y418F326-S414 VanDerWaalsContact CD1-CB 3.41Å; F326-S414 WeakPolarHBondContact CD1-O 3.28Å; F326-S414 VanDerWaalsContact CE1-C 3.48Å; Q410-S414 WeakPolarHBondContact O-CB 3.2Å; Q410-S414 PolarHBondContact O-N 3.11Å; Q410-S414 PolarHBondContact O-OG 2.72Å; F411-S414 PolarHBondContact O-N 3.04Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 3.33Å; S414-N417 PolarHBondContact O-N 2.76Å; S414-Y418 WeakPolarHBondContact O-CB 3.34Å; S414-Y418 PolarHBondContact O-N 2.8Å
415I82.6Confident80.9Confident0 Ų041.2 Ų41.20%020%0.2CC..Hα-helixtrans-59.3-49.1170.5-70.1162.4000110.9V195 F199 F326 F411 V412 N417 Y418 M419V195-I415 HydrophobicContact CG2-CG2 4.16Å; F199-I415 HydrophobicContact CB-CB 4.48Å; F199-I415 HydrophobicContact CB-CD1 3.67Å; F199-I415 HydrophobicContact CB-CG1 3.96Å; F199-I415 HydrophobicContact CB-CG2 3.65Å; F199-I415 HydrophobicContact CD1-CG2 4.45Å; F199-I415 HydrophobicContact CD2-CG2 3.72Å; F199-I415 HydrophobicContact CG-CG2 3.69Å; F326-I415 HydrophobicContact CE1-CG1 4.38Å; F326-I415 HydrophobicContact CZ-CG1 4.2Å; F411-I415 HydrophobicContact CD1-CD1 3.69Å; F411-I415 HydrophobicContact CE1-CD1 3.1Å; F411-I415 HydrophobicContact CE1-CG1 4.06Å; F411-I415 HydrophobicContact CE2-CD1 4.02Å; F411-I415 HydrophobicContact CE2-CG1 4.08Å; F411-I415 HydrophobicContact CG-CD1 4.32Å; F411-I415 HydrophobicContact CZ-CD1 3.22Å; F411-I415 HydrophobicContact CZ-CG1 3.69Å; F411-I415 WeakPolarHBondContact O-CG1 3.31Å; F411-I415 PolarHBondContact O-N 2.87Å; V412-I415 PolarHBondContact O-N 2.92Å; I415-N417 VanDerWaalsContact C-N 3.31Å; I415-N417 PolarHBondContact O-N 3.44Å; I415-Y418 CarbonylContact O-C 3.56Å; I415-Y418 WeakPolarHBondContact O-CA 3.05Å; I415-Y418 WeakPolarHBondContact O-CB 3.33Å; I415-Y418 PolarHBondContact O-N 3.18Å; I415-Y418 VanDerWaalsContact O-N 3.1Å; I415-M419 HydrophobicContact CG2-CG 4.17Å; I415-M419 HydrophobicContact CG2-SD 3.53Å; I415-M419 VanDerWaalsContact CG2-SD 3.53Å; I415-M419 WeakPolarHBondContact O-CG 3.49Å; I415-M419 PolarHBondContact O-N 3.44Å
416L83.9Confident80Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-62.8-40.8-178.8-68.6171.9000111.2V195 F236 W251 L254 L314 V412 Y413 Y418 M419 E420V195-L416 HydrophobicContact CG2-CD2 3.87Å; F236-L416 HydrophobicContact CD1-CD1 3.89Å; F236-L416 HydrophobicContact CD2-CD1 4.4Å; F236-L416 HydrophobicContact CD2-CD2 4.39Å; F236-L416 HydrophobicContact CE1-CD1 3.66Å; F236-L416 HydrophobicContact CE1-CD2 4.22Å; F236-L416 HydrophobicContact CE2-CD1 4.21Å; F236-L416 HydrophobicContact CE2-CD2 3.62Å; F236-L416 HydrophobicContact CG-CD1 4.24Å; F236-L416 HydrophobicContact CZ-CD1 3.84Å; F236-L416 HydrophobicContact CZ-CD2 3.52Å; F236-L416 HydrophobicContact CZ-CG 4.33Å; W251-L416 HydrophobicContact CD2-CB 4.14Å; W251-L416 HydrophobicContact CE3-CD1 4.46Å; W251-L416 HydrophobicContact CH2-CB 4.33Å; W251-L416 HydrophobicContact CH2-CD1 3.84Å; W251-L416 HydrophobicContact CZ2-CB 3.71Å; W251-L416 HydrophobicContact CZ2-CD1 4.08Å; W251-L416 HydrophobicContact CZ3-CD1 4.06Å; L254-L416 HydrophobicContact CD1-CB 4.39Å; L254-L416 HydrophobicContact CD1-CD2 3.87Å; L314-L416 HydrophobicContact CD1-CD1 3.84Å; L314-L416 HydrophobicContact CD2-CD1 4.27Å; V412-L416 HydrophobicContact CG1-CD1 3.94Å; V412-L416 HydrophobicContact CG1-CG 4.34Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.44Å; V412-L416 PolarHBondContact O-N 3.49Å; Y413-L416 PolarHBondContact O-N 3.43Å; L416-Y418 VanDerWaalsContact C-N 3.34Å; L416-M419 PolarHBondContact O-N 2.89Å; L416-E420 WeakPolarHBondContact O-CB 3.48Å; L416-E420 PolarHBondContact O-N 3.34Å
417N83.5Confident79.2Confident58 Ų5844.5 Ų44.531%0.3123%0.232SC..Hα-helixtrans-63.7-39.4173.4-166.750.6000111.9Y413 S414 I415 N421Y413-N417 WeakPolarHBondContact O-CB 3.32Å; Y413-N417 PolarHBondContact O-N 3.15Å; S414-N417 PolarHBondContact O-N 2.76Å; I415-N417 VanDerWaalsContact C-N 3.31Å; I415-N417 PolarHBondContact O-N 3.44Å; N417-N421 WeakPolarHBondContact O-CB 3.46Å; N417-N421 PolarHBondContact O-N 2.76Å; N417-N421 PolarHBondContact O-ND2 3.26Å; N417-N421 PolarHBondContact OD1-ND2 2.98Å
418Y80.7Confident78.5Confident38 Ų3838.8 Ų38.815%0.14921%0.207CC..Hα-helixtrans-63.7-45.2174.7176.3-88.8000111.9F199 P328 F330 S414 I415 L416 N421 N422 C424F199-Y418 HydrophobicContact CE1-CD1 4.37Å; F199-Y418 HydrophobicContact CE1-CE1 4.24Å; F199-Y418 HydrophobicContact CZ-CD1 4.44Å; F199-Y418 HydrophobicContact CZ-CE1 4.35Å; P328-Y418 VanDerWaalsContact CD-CE2 3.41Å; P328-Y418 HydrophobicContact CG-CD1 3.62Å; P328-Y418 HydrophobicContact CG-CD2 3.44Å; P328-Y418 VanDerWaalsContact CG-CD2 3.44Å; P328-Y418 HydrophobicContact CG-CE1 3.84Å; P328-Y418 HydrophobicContact CG-CE2 3.65Å; P328-Y418 HydrophobicContact CG-CG 3.43Å; P328-Y418 VanDerWaalsContact CG-CG 3.43Å; F330-Y418 HydrophobicContact CE1-CE1 4.47Å; F330-Y418 HydrophobicContact CE1-CE2 4.01Å; F330-Y418 AromaticContact CE1-CZ 3.74Å; F330-Y418 WeakPolarHBondContact CE1-OH 3.28Å; F330-Y418 AromaticContact CZ-CE2 3.99Å; F330-Y418 HydrophobicContact CZ-CE2 3.99Å; F330-Y418 AromaticContact CZ-CZ 3.91Å; F330-Y418 WeakPolarHBondContact CZ-OH 3.28Å; S414-Y418 WeakPolarHBondContact O-CB 3.34Å; S414-Y418 PolarHBondContact O-N 2.8Å; I415-Y418 CarbonylContact O-C 3.56Å; I415-Y418 WeakPolarHBondContact O-CA 3.05Å; I415-Y418 WeakPolarHBondContact O-CB 3.33Å; I415-Y418 PolarHBondContact O-N 3.18Å; I415-Y418 VanDerWaalsContact O-N 3.1Å; L416-Y418 VanDerWaalsContact C-N 3.34Å; Y418-N421 PolarHBondContact O-N 2.88Å; Y418-N422 WeakPolarHBondContact CD2-ND2 3.25Å; Y418-N422 HydrophobicContact CE1-CB 4.24Å; Y418-N422 HydrophobicContact CE2-CB 4.48Å; Y418-N422 WeakPolarHBondContact CE2-ND2 3.34Å; Y418-N422 WeakPolarHBondContact O-CB 3.26Å; Y418-N422 PolarHBondContact O-N 3.44Å; Y418-N422 PolarHBondContact O-ND2 3.15Å; Y418-C424 HydrophobicContact CE1-CB 4.22Å
419M80.5Confident77.6Confident4 Ų437.9 Ų37.92%0.0220%0.204CC..Hα-helixtrans-65.6-37.6179.1-71167.264.600112.6A191 A194 V195 F199 L254 I415 L416 Y425A191-M419 HydrophobicContact CB-CE 4.48Å; A194-M419 HydrophobicContact CB-CE 3.52Å; A194-M419 HydrophobicContact CB-SD 4.36Å; V195-M419 HydrophobicContact CG2-SD 4.24Å; F199-M419 HydrophobicContact CD2-CG 4.19Å; F199-M419 HydrophobicContact CD2-SD 3.76Å; F199-M419 HydrophobicContact CE2-CE 4.46Å; F199-M419 HydrophobicContact CE2-CG 3.61Å; F199-M419 HydrophobicContact CE2-SD 3.69Å; F199-M419 HydrophobicContact CZ-CG 4.14Å; L254-M419 HydrophobicContact CD1-CB 4.33Å; L254-M419 HydrophobicContact CD2-CB 4.32Å; L254-M419 HydrophobicContact CD2-CE 4.21Å; I415-M419 HydrophobicContact CG2-CG 4.17Å; I415-M419 HydrophobicContact CG2-SD 3.53Å; I415-M419 VanDerWaalsContact CG2-SD 3.53Å; I415-M419 WeakPolarHBondContact O-CG 3.49Å; I415-M419 PolarHBondContact O-N 3.44Å; L416-M419 PolarHBondContact O-N 2.89Å; M419-Y425 HydrophobicContact CB-CD2 4.32Å; M419-Y425 HydrophobicContact CE-CD2 3.37Å; M419-Y425 HydrophobicContact CE-CE2 3.45Å; M419-Y425 VanDerWaalsContact CE-CE2 3.45Å
420E82.5Confident76.6Confident15 Ų1544.6 Ų44.67%0.0724%0.236CC..Hα-helixtrans-65.8-39.5176.6-179.668.9-156.400111.7W251 P252 R253 L254 L416W251-E420 VanDerWaalsContact CA-OE2 3.25Å; W251-E420 WeakPolarHBondContact CA-OE2 3.47Å; W251-E420 HydrophobicContact CB-CB 4.49Å; W251-E420 HydrophobicContact CB-CG 4.35Å; W251-E420 WeakPolarHBondContact CB-OE2 3.09Å; W251-E420 HydrophobicContact CG-CB 4.45Å; P252-E420 WeakPolarHBondContact CD-OE1 3.19Å; P252-E420 WeakPolarHBondContact CG-OE1 3.45Å; R253-E420 WeakPolarHBondContact CB-OE1 3.3Å; R253-E420 WeakPolarHBondContact CB-OE2 3.4Å; R253-E420 WeakPolarHBondContact CD-O 3.49Å; R253-E420 VanDerWaalsContact CG-OE1 3.26Å; R253-E420 WeakPolarHBondContact CG-OE1 3.5Å; R253-E420 PolarHBondContact N-OE1 3.41Å; R253-E420 PolarHBondContact N-OE2 3.07Å; R253-E420 PolarHBondContact NH1-O 3.31Å; L254-E420 PolarHBondContact N-OE2 3.46Å; L254-E420 VanDerWaalsContact N-OE2 3.13Å; L416-E420 WeakPolarHBondContact O-CB 3.48Å; L416-E420 PolarHBondContact O-N 3.34Å
421N82.9Confident75.9Confident99 Ų9945 Ų4553%0.52924%0.235SC..Hα-helixtrans-85.9-25.9-175.1-68.7-51.6000113.8N417 Y418N417-N421 WeakPolarHBondContact O-CB 3.46Å; N417-N421 PolarHBondContact O-N 2.76Å; N417-N421 PolarHBondContact O-ND2 3.26Å; N417-N421 PolarHBondContact OD1-ND2 2.98Å; Y418-N421 PolarHBondContact O-N 2.88Å
422N77.9Confident75.2Confident63 Ų6344 Ų4434%0.33723%0.231SC..SBendtrans-108.1140.3-175.2-65.9-66.8000113.6Y418 C424 Y425Y418-N422 WeakPolarHBondContact CD2-ND2 3.25Å; Y418-N422 HydrophobicContact CE1-CB 4.24Å; Y418-N422 HydrophobicContact CE2-CB 4.48Å; Y418-N422 WeakPolarHBondContact CE2-ND2 3.34Å; Y418-N422 WeakPolarHBondContact O-CB 3.26Å; Y418-N422 PolarHBondContact O-N 3.44Å; Y418-N422 PolarHBondContact O-ND2 3.15Å; N422-C424 HydrophobicContact CB-CB 4.24Å; N422-C424 PolarHBondContact O-N 3.47Å; N422-C424 VanDerWaalsContact O-N 3.09Å; N422-Y425 PolarHBondContact O-N 2.81Å
423E69.4Low74.3Confident174 Ų17450 Ų5081%0.81325%0.254SS*.THydrogen-bonded Turntrans-66.1-8.1173.2-66.3-176.4173.100113.7Y425 S426E423-Y425 PolarHBondContact O-N 3.08Å; E423-Y425 VanDerWaalsContact O-N 3.07Å; E423-S426 VanDerWaalsContact O-CB 3.24Å; E423-S426 WeakPolarHBondContact O-CB 3.48Å; E423-S426 PolarHBondContact O-N 3.34Å
424C62.8Low73.3Confident47 Ų4751.2 Ų51.232%0.31827%0.266SS..Hα-helixtrans-53.6-25.9172.2-171.70000112.3Y418 N422 S426 S427 C428Y418-C424 HydrophobicContact CE1-CB 4.22Å; N422-C424 HydrophobicContact CB-CB 4.24Å; N422-C424 PolarHBondContact O-N 3.47Å; N422-C424 VanDerWaalsContact O-N 3.09Å; C424-S426 VanDerWaalsContact C-N 3.26Å; C424-S426 PolarHBondContact O-N 3.32Å; C424-S427 PolarHBondContact O-N 3.07Å; C424-S427 PolarHBondContact O-OG 2.97Å; C424-C428 PolarHBondContact O-N 3.05Å; C424-C428 PolarHBondContact O-SG 3.1Å
425Y65.1Low72.4Confident22 Ų2251.7 Ų51.79%0.08627%0.267CS..Hα-helixtrans-57.8-38171.6-177.6-101.1000113.1Y190 L254 L257 M419 N422 E423 S427 C428 V429Y190-Y425 WeakPolarHBondContact CB-OH 3.48Å; L254-Y425 HydrophobicContact CD2-CD2 3.91Å; L254-Y425 HydrophobicContact CD2-CE1 4.44Å; L254-Y425 HydrophobicContact CD2-CE2 3.7Å; L254-Y425 HydrophobicContact CD2-CG 4.33Å; L257-Y425 HydrophobicContact CD1-CD1 4.22Å; L257-Y425 HydrophobicContact CD1-CE1 3.35Å; L257-Y425 HydrophobicContact CD2-CE1 4.21Å; L257-Y425 HydrophobicContact CG-CE1 4.28Å; M419-Y425 HydrophobicContact CB-CD2 4.32Å; M419-Y425 HydrophobicContact CE-CD2 3.37Å; M419-Y425 HydrophobicContact CE-CE2 3.45Å; M419-Y425 VanDerWaalsContact CE-CE2 3.45Å; N422-Y425 PolarHBondContact O-N 2.81Å; E423-Y425 PolarHBondContact O-N 3.08Å; E423-Y425 VanDerWaalsContact O-N 3.07Å; Y425-S427 VanDerWaalsContact C-N 3.33Å; Y425-S427 PolarHBondContact O-N 2.87Å; Y425-C428 WeakPolarHBondContact O-CB 3.47Å; Y425-C428 PolarHBondContact O-N 2.8Å; Y425-V429 HydrophobicContact CD1-CG2 3.89Å; Y425-V429 HydrophobicContact CD2-CG2 4.45Å; Y425-V429 HydrophobicContact CE1-CG2 3.31Å; Y425-V429 HydrophobicContact CE2-CG2 3.99Å; Y425-V429 HydrophobicContact CG-CG2 4.43Å; Y425-V429 VanDerWaalsContact CZ-CG2 3.41Å; Y425-V429 WeakPolarHBondContact O-CG2 3.31Å; Y425-V429 PolarHBondContact O-N 3.38Å
426S67.4Low71.4Confident81 Ų8156.5 Ų56.557%0.56629%0.29SS*.Hα-helixtrans-61.4-41.2177.8-169.40000111.7E423 C424 V429 Q430E423-S426 VanDerWaalsContact O-CB 3.24Å; E423-S426 WeakPolarHBondContact O-CB 3.48Å; E423-S426 PolarHBondContact O-N 3.34Å; C424-S426 VanDerWaalsContact C-N 3.26Å; C424-S426 PolarHBondContact O-N 3.32Å; S426-V429 PolarHBondContact O-N 3.45Å; S426-Q430 WeakPolarHBondContact O-CB 2.87Å; S426-Q430 PolarHBondContact O-N 3.17Å
427S67.7Low70.1Confident66 Ų6660.3 Ų60.346%0.46232%0.321SS..Hα-helixtrans-70.3-34.9175.465.30000112.3C424 Y425 Q430 R431C424-S427 PolarHBondContact O-N 3.07Å; C424-S427 PolarHBondContact O-OG 2.97Å; Y425-S427 VanDerWaalsContact C-N 3.33Å; Y425-S427 PolarHBondContact O-N 2.87Å; S427-Q430 PolarHBondContact O-N 2.97Å; S427-R431 PolarHBondContact O-N 3.05Å
428C66.4Low69.1Low5 Ų563.5 Ų63.53%0.03434%0.338CS..Hα-helixtrans-61.9-46.8173.3-61.80000111.3V198 C424 Y425 Q430 R431 F432V198-C428 HydrophobicContact CG2-CB 4.44Å; C424-C428 PolarHBondContact O-N 3.05Å; C424-C428 PolarHBondContact O-SG 3.1Å; Y425-C428 WeakPolarHBondContact O-CB 3.47Å; Y425-C428 PolarHBondContact O-N 2.8Å; C428-Q430 PolarHBondContact O-N 2.98Å; C428-R431 WeakPolarHBondContact O-CB 3.09Å; C428-R431 PolarHBondContact O-N 3.2Å; C428-F432 WeakPolarHBondContact O-CD2 3.3Å; C428-F432 PolarHBondContact O-N 2.96Å; C428-F432 VanDerWaalsContact O-N 3.14Å
429V66.7Low68.5Low16 Ų1664.2 Ų64.210%0.09736%0.357CS..Hα-helixtrans-61.8-43176.21710000111.2Y190 Y425 S426 R431 F432 Y433Y190-V429 HydrophobicContact CD1-CB 4.49Å; Y190-V429 HydrophobicContact CD1-CG1 4.11Å; Y190-V429 HydrophobicContact CD1-CG2 4.29Å; Y190-V429 HydrophobicContact CE1-CG1 4.24Å; Y190-V429 HydrophobicContact CG-CG2 4.49Å; Y425-V429 HydrophobicContact CD1-CG2 3.89Å; Y425-V429 HydrophobicContact CD2-CG2 4.45Å; Y425-V429 HydrophobicContact CE1-CG2 3.31Å; Y425-V429 HydrophobicContact CE2-CG2 3.99Å; Y425-V429 HydrophobicContact CG-CG2 4.43Å; Y425-V429 VanDerWaalsContact CZ-CG2 3.41Å; Y425-V429 WeakPolarHBondContact O-CG2 3.31Å; Y425-V429 PolarHBondContact O-N 3.38Å; S426-V429 PolarHBondContact O-N 3.45Å; V429-R431 VanDerWaalsContact C-N 3.27Å; V429-R431 PolarHBondContact O-N 3.25Å; V429-F432 WeakPolarHBondContact O-CB 3.47Å; V429-F432 PolarHBondContact O-N 3.33Å; V429-F432 VanDerWaalsContact O-N 3.08Å; V429-Y433 HydrophobicContact CG1-CD2 3.9Å; V429-Y433 HydrophobicContact CG1-CE2 3.39Å; V429-Y433 VanDerWaalsContact O-CD2 3.29Å; V429-Y433 WeakPolarHBondContact O-CD2 3.41Å; V429-Y433 PolarHBondContact O-N 2.87Å
430Q67.8Low68.3Low141 Ų14166.4 Ų66.466%0.65937%0.368SS*.Hα-helixtrans-60.1-37.9175.2-170.8174.6-8.800112.4S426 S427 C428 F432 Y433 S434S426-Q430 WeakPolarHBondContact O-CB 2.87Å; S426-Q430 PolarHBondContact O-N 3.17Å; S427-Q430 PolarHBondContact O-N 2.97Å; C428-Q430 PolarHBondContact O-N 2.98Å; Q430-F432 VanDerWaalsContact C-N 3.32Å; Q430-F432 PolarHBondContact O-N 2.99Å; Q430-Y433 PolarHBondContact O-N 3.3Å; Q430-S434 PolarHBondContact O-N 3.31Å; Q430-S434 VanDerWaalsContact O-N 3.08Å
431R68.8Low68.3Low60 Ų6067.2 Ų67.223%0.22638%0.375CS..Hα-helixtrans-62.7-37.9174.1-171.2175.6172.7-162.7-12.9111.6S427 C428 V429 S434 F435S427-R431 PolarHBondContact O-N 3.05Å; C428-R431 WeakPolarHBondContact O-CB 3.09Å; C428-R431 PolarHBondContact O-N 3.2Å; V429-R431 VanDerWaalsContact C-N 3.27Å; V429-R431 PolarHBondContact O-N 3.25Å; R431-S434 PolarHBondContact O-N 2.91Å; R431-S434 PolarHBondContact O-OG 3.18Å; R431-F435 HydrophobicContact CG-CD2 4.46Å; R431-F435 HydrophobicContact CG-CE2 4.08Å; R431-F435 WeakPolarHBondContact O-CD2 3.32Å; R431-F435 PolarHBondContact O-N 3.49Å
432F69.2Low68.3Low1 Ų167.6 Ų67.60%0.00438%0.383CS..Hα-helixtrans-66.3-38.9173.1-70.9-63.9000113.3Y190 A193 A194 T197 V198 V262 I264 C428 V429 Q430 S434 F435 E436Y190-F432 HydrophobicContact CD1-CB 3.7Å; Y190-F432 AromaticContact CD1-CD2 3.97Å; Y190-F432 HydrophobicContact CD1-CD2 3.97Å; Y190-F432 HydrophobicContact CD1-CG 4.07Å; Y190-F432 HydrophobicContact CE1-CB 3.51Å; Y190-F432 HydrophobicContact CE1-CG 4.35Å; A193-F432 HydrophobicContact CB-CD1 4.13Å; A193-F432 HydrophobicContact CB-CD2 4.44Å; A193-F432 HydrophobicContact CB-CE1 3.6Å; A193-F432 HydrophobicContact CB-CE2 3.97Å; A193-F432 HydrophobicContact CB-CZ 3.53Å; A193-F432 WeakPolarHBondContact O-CZ 3.31Å; A194-F432 HydrophobicContact CB-CE2 3.88Å; A194-F432 HydrophobicContact CB-CZ 4.38Å; A194-F432 VanDerWaalsContact N-CZ 3.34Å; T197-F432 HydrophobicContact CG2-CE1 4.43Å; T197-F432 WeakPolarHBondContact OG1-CE1 3.29Å; T197-F432 WeakPolarHBondContact OG1-CZ 3.35Å; V198-F432 HydrophobicContact CG2-CE2 4.12Å; V198-F432 HydrophobicContact CG2-CZ 3.97Å; V262-F432 HydrophobicContact CG1-CD1 4.34Å; V262-F432 HydrophobicContact CG1-CG 4.45Å; V262-F432 HydrophobicContact CG2-CB 4.28Å; I264-F432 HydrophobicContact CG2-CD1 3.9Å; I264-F432 HydrophobicContact CG2-CE1 3.97Å; C428-F432 WeakPolarHBondContact O-CD2 3.3Å; C428-F432 PolarHBondContact O-N 2.96Å; C428-F432 VanDerWaalsContact O-N 3.14Å; V429-F432 WeakPolarHBondContact O-CB 3.47Å; V429-F432 PolarHBondContact O-N 3.33Å; V429-F432 VanDerWaalsContact O-N 3.08Å; Q430-F432 VanDerWaalsContact C-N 3.32Å; Q430-F432 PolarHBondContact O-N 2.99Å; F432-S434 PolarHBondContact O-N 3.25Å; F432-F435 HydrophobicContact CD1-CD2 4.18Å; F432-F435 WeakPolarHBondContact O-CB 3.31Å; F432-F435 PolarHBondContact O-N 2.75Å; F432-F435 VanDerWaalsContact O-N 3.08Å; F432-E436 PolarHBondContact O-N 2.93Å
433Y66.6Low68.8Low124 Ų12467 Ų6749%0.48639%0.386SS..Hα-helixtrans-61.9-33.2172-71.7-61.3000112.7Y190 V429 Q430 F435 A437Y190-Y433 WeakPolarHBondContact OH-CE1 3.24Å; V429-Y433 HydrophobicContact CG1-CD2 3.9Å; V429-Y433 HydrophobicContact CG1-CE2 3.39Å; V429-Y433 VanDerWaalsContact O-CD2 3.29Å; V429-Y433 WeakPolarHBondContact O-CD2 3.41Å; V429-Y433 PolarHBondContact O-N 2.87Å; Q430-Y433 PolarHBondContact O-N 3.3Å; Y433-F435 VanDerWaalsContact C-N 3.32Å; Y433-A437 PolarHBondContact O-N 3.4Å
434S63.8Low69.8Low50 Ų5061.9 Ų61.935%0.3537%0.365SS..Hα-helixtrans-70.1-27173.866.90000113.8Q430 R431 F432 A437 N438Q430-S434 PolarHBondContact O-N 3.31Å; Q430-S434 VanDerWaalsContact O-N 3.08Å; R431-S434 PolarHBondContact O-N 2.91Å; R431-S434 PolarHBondContact O-OG 3.18Å; F432-S434 PolarHBondContact O-N 3.25Å; S434-A437 PolarHBondContact O-N 3.26Å; S434-N438 WeakPolarHBondContact O-CB 3.31Å; S434-N438 PolarHBondContact O-N 3.4Å; S434-N438 VanDerWaalsContact O-N 3.09Å
435F63.9Low71Confident22 Ų2263.1 Ų63.110%0.09637%0.368CS..Hα-helixtrans-66-43.3176.2-86.9-78000111.4W361 R431 F432 Y433 A437 N438W361-F435 HydrophobicContact CB-CD1 4.08Å; W361-F435 HydrophobicContact CB-CE1 3.35Å; W361-F435 HydrophobicContact CB-CZ 3.87Å; W361-F435 AromaticContact CD2-CE1 3.93Å; W361-F435 HydrophobicContact CD2-CE1 3.93Å; W361-F435 AromaticContact CE3-CE1 3.77Å; W361-F435 HydrophobicContact CE3-CE1 3.77Å; W361-F435 HydrophobicContact CE3-CZ 4.39Å; W361-F435 HydrophobicContact CG-CD1 4.43Å; W361-F435 AromaticContact CG-CE1 3.8Å; W361-F435 HydrophobicContact CG-CE1 3.8Å; R431-F435 HydrophobicContact CG-CD2 4.46Å; R431-F435 HydrophobicContact CG-CE2 4.08Å; R431-F435 WeakPolarHBondContact O-CD2 3.32Å; R431-F435 PolarHBondContact O-N 3.49Å; F432-F435 HydrophobicContact CD1-CD2 4.18Å; F432-F435 WeakPolarHBondContact O-CB 3.31Å; F432-F435 PolarHBondContact O-N 2.75Å; F432-F435 VanDerWaalsContact O-N 3.08Å; Y433-F435 VanDerWaalsContact C-N 3.32Å; F435-A437 VanDerWaalsContact C-N 3.26Å; F435-A437 PolarHBondContact O-N 2.72Å; F435-N438 PolarHBondContact O-N 3.49Å
436E62.5Low72Confident101 Ų10163.4 Ų63.447%0.47237%0.37SS..Hα-helixtrans-62.5-34.3174.8-69.5-174.6161.400112V262 F432V262-E436 HydrophobicContact CG2-CG 4.37Å; F432-E436 PolarHBondContact O-N 2.93Å
437A56.3Low72.8Confident80 Ų8061.8 Ų61.866%0.66136%0.359SS*.Hα-helixtrans-74.7-31.7-179.900000114.2Y433 S434 F435Y433-A437 PolarHBondContact O-N 3.4Å; S434-A437 PolarHBondContact O-N 3.26Å; F435-A437 VanDerWaalsContact C-N 3.26Å; F435-A437 PolarHBondContact O-N 2.72Å
438N61.7Low73.7Confident124 Ų12463 Ų6366%0.66335%0.354SS*.SBendtrans-921.8-170.4-73.5-13000114.8S434 F435S434-N438 WeakPolarHBondContact O-CB 3.31Å; S434-N438 PolarHBondContact O-N 3.4Å; S434-N438 VanDerWaalsContact O-N 3.09Å; F435-N438 PolarHBondContact O-N 3.49Å
439G69.3Low74.6Confident53 Ų5364.9 Ų64.955%0.54636%0.363SS..  trans77.8114.7-177.500000112.1
440I76.3Confident75.4Confident50 Ų5066.8 Ų66.826%0.25637%0.369SS..PPolyproline II helixtrans-77.9136.5177.1-58.3171.9000108.2T263 P265T263-I440 VanDerWaalsContact O-CD1 3.26Å; T263-I440 WeakPolarHBondContact O-CD1 3.46Å; P265-I440 HydrophobicContact CB-CG2 3.73Å; P265-I440 HydrophobicContact CG-CG2 3.74Å
441P81.7Confident76.2Confident33 Ų3363.4 Ų63.421%0.21436%0.358CS..PPolyproline II helixtrans-56.5143.7172.926.3-37.9000110.9L183 H185 P265 W361L183-P441 HydrophobicContact CD2-CB 3.95Å; L183-P441 HydrophobicContact CD2-CG 3.89Å; H185-P441 PolarHBondContact CE1-O 2.96Å; H185-P441 PolarHBondContact NE2-O 3.35Å; P265-P441 HydrophobicContact CB-CG 3.96Å; P265-P441 HydrophobicContact CG-CG 4.25Å; W361-P441 HydrophobicContact CH2-CG 4.15Å; W361-P441 HydrophobicContact CZ2-CG 3.7Å
442P83.7Confident77.1Confident107 Ų10762 Ų6270%0.69536%0.357SS*.PPolyproline II helixtrans-60.6146.8178.827.1-34.8000111.1L183L183-P442 VanDerWaalsContact CD2-O 3.28Å; L183-P442 WeakPolarHBondContact CD2-O 3.49Å
443A87.8Confident78Confident49 Ų4964 Ų6441%0.40537%0.369SS..PPolyproline II helixtrans-65.7150.3172.500000110.7H185H185-A443 PolarHBondContact NE2-N 2.87Å
444D90.5Very high79Confident67 Ų6765.1 Ų65.136%0.35838%0.379SS..PPolyproline II helixtrans-72.6152.7177-74-17.5000111.1H182 L183H182-D444 WeakPolarHBondContact CA-OD2 3.45Å; L183-D444 HydrophobicContact CB-CB 4.47Å; L183-D444 PolarHBondContact N-OD2 3.47Å; L183-D444 PolarHBondContact O-N 3.4Å
445D87Confident80.2Confident74 Ų7466.6 Ų66.640%0.39638%0.381SS..PPolyproline II helixtrans-65.7140.117717834.3000112.4S447 W448D445-S447 PolarHBondContact OD1-N 2.97Å; D445-S447 VanDerWaalsContact OD1-N 3.14Å; D445-S447 WeakPolarHBondContact OD2-CB 3.45Å; D445-S447 PolarHBondContact OD2-OG 3.45Å; D445-W448 PolarHBondContact O-NE1 3.45Å
446E87Confident81.3Confident27 Ų2769.3 Ų69.313%0.12640%0.396CS..  trans-95.61.3178.6-67.5-166.6141.400113.1Y273 R277 W448 M449 F450Y273-E446 HydrophobicContact CE1-CG 4.19Å; Y273-E446 VanDerWaalsContact CE1-OE1 3.23Å; Y273-E446 WeakPolarHBondContact CE1-OE1 3.32Å; Y273-E446 VanDerWaalsContact CZ-OE1 3.23Å; Y273-E446 PolarHBondContact OH-OE1 3.32Å; R277-E446 IonicContact NE-OE1 3.94Å; E446-W448 PolarHBondContact O-N 2.98Å; E446-M449 WeakPolarHBondContact O-CB 3.01Å; E446-M449 PolarHBondContact O-N 3.11Å; E446-F450 HydrophobicContact CB-CE2 4.28Å; E446-F450 WeakPolarHBondContact O-CD2 3.32Å
447S83.7Confident82.5Confident48 Ų4868.7 Ų68.734%0.33640%0.396SS..G310 helixtrans-53.6-33-176.366.80000113.8D445 M449 F450 R724D445-S447 PolarHBondContact OD1-N 2.97Å; D445-S447 VanDerWaalsContact OD1-N 3.14Å; D445-S447 WeakPolarHBondContact OD2-CB 3.45Å; D445-S447 PolarHBondContact OD2-OG 3.45Å; S447-M449 PolarHBondContact O-N 2.89Å; S447-M449 VanDerWaalsContact O-N 3.15Å; S447-F450 PolarHBondContact O-N 3.18Å; S447-F450 VanDerWaalsContact O-N 3.15Å; S447-R724 PolarHBondContact O-NH2 3.2Å
448W86.1Confident84Confident91 Ų9171 Ų7135%0.34539%0.391SS..G310 helixtrans-62.5-17.7178.470-89.1000114.2H182 R270 Y273 A274 D445 E446H182-W448 AromaticContact CE1-NE1 3.93Å; H182-W448 AromaticContact ND1-NE1 3.6Å; R270-W448 HydrophobicContact CB-CH2 3.67Å; R270-W448 HydrophobicContact CB-CZ2 4.02Å; R270-W448 HydrophobicContact CB-CZ3 4.12Å; R270-W448 HydrophobicContact CG-CH2 4.15Å; R270-W448 HydrophobicContact CG-CZ2 4.01Å; R270-W448 VanDerWaalsContact O-CH2 3.29Å; R270-W448 WeakPolarHBondContact O-CH2 3.48Å; Y273-W448 HydrophobicContact CD1-CZ2 4.11Å; A274-W448 HydrophobicContact CB-CH2 4.07Å; D445-W448 PolarHBondContact O-NE1 3.45Å; E446-W448 PolarHBondContact O-N 2.98Å
449M85.7Confident85.1Confident45 Ų4569.7 Ų69.722%0.22238%0.382CS..G310 helixtrans-82.8-18.8178.5-64.6-171.959.400113.5Y273 A274 R277 E446 S447Y273-M449 HydrophobicContact CD1-SD 3.7Å; Y273-M449 HydrophobicContact CE1-SD 3.59Å; Y273-M449 VanDerWaalsContact CE1-SD 3.59Å; A274-M449 HydrophobicContact CB-CE 4.17Å; R277-M449 HydrophobicContact CB-CE 3.78Å; R277-M449 HydrophobicContact CG-CE 3.79Å; E446-M449 WeakPolarHBondContact O-CB 3.01Å; E446-M449 PolarHBondContact O-N 3.11Å; S447-M449 PolarHBondContact O-N 2.89Å; S447-M449 VanDerWaalsContact O-N 3.15Å
450F84Confident85.9Confident55 Ų5572 Ų7224%0.24138%0.381CS..  trans-119120.3-171.3-56.6-77.2000110.2E446 S447 R724E446-F450 HydrophobicContact CB-CE2 4.28Å; E446-F450 WeakPolarHBondContact O-CD2 3.32Å; S447-F450 PolarHBondContact O-N 3.18Å; S447-F450 VanDerWaalsContact O-N 3.15Å; F450-R724 PolarHBondContact O-NH2 3.4Å
451V85.2Confident86.4Confident70 Ų7074.4 Ų74.442%0.42439%0.394SS..  trans-104.8119.5170.6-177.40000107.9E455 L456 M459V451-E455 HydrophobicContact CG1-CB 4.06Å; V451-L456 HydrophobicContact CG1-CB 3.96Å; V451-M459 HydrophobicContact CG1-SD 4.27Å
452T86.8Confident86.5Confident32 Ų3278.3 Ų78.320%0.19641%0.409CS..  trans-72.4153.5173.262.50000110.4E454 E455 L456T452-E454 PolarHBondContact O-N 2.7Å; T452-E455 PolarHBondContact N-OE2 2.98Å; T452-E455 PolarHBondContact O-N 3.18Å; T452-E455 VanDerWaalsContact O-N 3.14Å; T452-E455 WeakPolarHBondContact OG1-CB 3.27Å; T452-E455 WeakPolarHBondContact OG1-CG 3.43Å; T452-E455 PolarHBondContact OG1-N 2.8Å; T452-E455 PolarHBondContact OG1-OE2 2.88Å; T452-L456 PolarHBondContact O-N 3.46Å
453P87.5Confident86.3Confident41 Ų4182.4 Ų82.427%0.26641%0.411SS..Hα-helixtrans-55.2-34.6175.3-26.835.3000113.4L456 D457P453-L456 WeakPolarHBondContact O-CB 3.3Å; P453-L456 PolarHBondContact O-N 3.24Å; P453-D457 WeakPolarHBondContact O-CB 3.48Å; P453-D457 VanDerWaalsContact O-CG 3.27Å; P453-D457 PolarHBondContact O-N 3.39Å
454E88.6Confident85.3Confident148 Ų14884.8 Ų84.869%0.69242%0.417SS*.Hα-helixtrans-70.3-41.3177.7-63.4177.4-176.200112.1T452 L456 D457 K458T452-E454 PolarHBondContact O-N 2.7Å; E454-L456 VanDerWaalsContact C-N 3.31Å; E454-D457 PolarHBondContact O-N 2.93Å; E454-K458 WeakPolarHBondContact O-CB 3.46Å; E454-K458 PolarHBondContact O-N 2.9Å
455E88.1Confident83.5Confident82 Ų8288.6 Ų88.638%0.38343%0.432SS..Hα-helixtrans-63.9-39171.8-74.5162.5161.900111.2V451 T452 K458 M459V451-E455 HydrophobicContact CG1-CB 4.06Å; T452-E455 PolarHBondContact N-OE2 2.98Å; T452-E455 PolarHBondContact O-N 3.18Å; T452-E455 VanDerWaalsContact O-N 3.14Å; T452-E455 WeakPolarHBondContact OG1-CB 3.27Å; T452-E455 WeakPolarHBondContact OG1-CG 3.43Å; T452-E455 PolarHBondContact OG1-N 2.8Å; T452-E455 PolarHBondContact OG1-OE2 2.88Å; E455-K458 PolarHBondContact O-N 3.44Å; E455-M459 WeakPolarHBondContact O-CB 3.33Å; E455-M459 WeakPolarHBondContact O-CG 3.24Å; E455-M459 PolarHBondContact O-N 3.35Å
456L88.3Confident81.7Confident79 Ų7993.2 Ų93.241%0.41445%0.454SS..Hα-helixtrans-63-47.3175-179.762.9000111.1V451 T452 P453 E454 K458 M459 L460V451-L456 HydrophobicContact CG1-CB 3.96Å; T452-L456 PolarHBondContact O-N 3.46Å; P453-L456 WeakPolarHBondContact O-CB 3.3Å; P453-L456 PolarHBondContact O-N 3.24Å; E454-L456 VanDerWaalsContact C-N 3.31Å; L456-K458 VanDerWaalsContact C-N 3.28Å; L456-K458 PolarHBondContact O-N 3.32Å; L456-M459 PolarHBondContact O-N 3.36Å; L456-M459 VanDerWaalsContact O-N 3.16Å; L456-L460 HydrophobicContact CD1-CG 4.39Å; L456-L460 HydrophobicContact CG-CD1 4.24Å; L456-L460 VanDerWaalsContact O-CG 3.32Å; L456-L460 WeakPolarHBondContact O-CG 3.02Å; L456-L460 PolarHBondContact O-N 3.27Å
457D86.8Confident79.8Confident88 Ų8895.8 Ų95.847%0.47147%0.468SS..Hα-helixtrans-58.5-42.6176.4-74.9-22000110.7P453 E454 L460 L461P453-D457 WeakPolarHBondContact O-CB 3.48Å; P453-D457 VanDerWaalsContact O-CG 3.27Å; P453-D457 PolarHBondContact O-N 3.39Å; E454-D457 PolarHBondContact O-N 2.93Å; D457-L460 PolarHBondContact O-N 3.23Å; D457-L461 WeakPolarHBondContact O-CB 3.41Å; D457-L461 WeakPolarHBondContact O-CD1 3.41Å; D457-L461 VanDerWaalsContact O-CG 3.3Å; D457-L461 WeakPolarHBondContact O-CG 3.27Å; D457-L461 PolarHBondContact O-N 2.83Å
458K87.3Confident77.8Confident127 Ų127101 Ų10155%0.55249%0.487SS*.Hα-helixtrans-62.3-45.7174.2-175.1-178.2174.1-171.30112.2E454 E455 L456 L460 L461 E462E454-K458 WeakPolarHBondContact O-CB 3.46Å; E454-K458 PolarHBondContact O-N 2.9Å; E455-K458 PolarHBondContact O-N 3.44Å; L456-K458 VanDerWaalsContact C-N 3.28Å; L456-K458 PolarHBondContact O-N 3.32Å; K458-L460 VanDerWaalsContact C-N 3.29Å; K458-L460 PolarHBondContact O-N 3Å; K458-L461 PolarHBondContact O-N 2.92Å; K458-E462 WeakPolarHBondContact CE-OE1 3.14Å; K458-E462 IonicContact NZ-OE1 3.63Å; K458-E462 WeakPolarHBondContact O-CB 3.2Å; K458-E462 WeakPolarHBondContact O-CG 3.39Å; K458-E462 PolarHBondContact O-N 3.47Å
459M85.8Confident75.7Confident98 Ų98104.7 Ų104.748%0.48351%0.512SS..Hα-helixtrans-62.8-36.7177.5-73.4173.669.500112.2V451 E455 L456 R463V451-M459 HydrophobicContact CG1-SD 4.27Å; E455-M459 WeakPolarHBondContact O-CB 3.33Å; E455-M459 WeakPolarHBondContact O-CG 3.24Å; E455-M459 PolarHBondContact O-N 3.35Å; L456-M459 PolarHBondContact O-N 3.36Å; L456-M459 VanDerWaalsContact O-N 3.16Å; M459-R463 PolarHBondContact O-N 2.96Å
460L85.9Confident73.8Confident101 Ų101107.5 Ų107.553%0.52953%0.528SS..Hα-helixtrans-68.8-46.3174.7-70.1175.5000110.7L456 D457 K458 R463 N464L456-L460 HydrophobicContact CD1-CG 4.39Å; L456-L460 HydrophobicContact CG-CD1 4.24Å; L456-L460 VanDerWaalsContact O-CG 3.32Å; L456-L460 WeakPolarHBondContact O-CG 3.02Å; L456-L460 PolarHBondContact O-N 3.27Å; D457-L460 PolarHBondContact O-N 3.23Å; K458-L460 VanDerWaalsContact C-N 3.29Å; K458-L460 PolarHBondContact O-N 3Å; L460-R463 PolarHBondContact O-N 3.3Å; L460-N464 WeakPolarHBondContact O-CB 3.47Å; L460-N464 PolarHBondContact O-N 3.35Å
461L87.3Confident72.1Confident101 Ų101109.6 Ų109.653%0.52955%0.548SS..Hα-helixtrans-59-48.4175.9-76.4162.1000111.7D457 K458 R463 N464 E465D457-L461 WeakPolarHBondContact O-CB 3.41Å; D457-L461 WeakPolarHBondContact O-CD1 3.41Å; D457-L461 VanDerWaalsContact O-CG 3.3Å; D457-L461 WeakPolarHBondContact O-CG 3.27Å; D457-L461 PolarHBondContact O-N 2.83Å; K458-L461 PolarHBondContact O-N 2.92Å; L461-R463 VanDerWaalsContact C-N 3.28Å; L461-R463 PolarHBondContact O-N 3.25Å; L461-N464 CarbonylContact O-C 3.52Å; L461-N464 PolarHBondContact O-N 3.3Å; L461-E465 WeakPolarHBondContact O-CB 3.16Å; L461-E465 WeakPolarHBondContact O-CG 3.33Å; L461-E465 PolarHBondContact O-N 3Å
462E84.3Confident70.2Confident115 Ų115112.5 Ų112.554%0.53757%0.568SS.*Hα-helixtrans-59.6-37178.1-74.9176.7-178.900112.7K458K458-E462 WeakPolarHBondContact CE-OE1 3.14Å; K458-E462 IonicContact NZ-OE1 3.63Å; K458-E462 WeakPolarHBondContact O-CB 3.2Å; K458-E462 WeakPolarHBondContact O-CG 3.39Å; K458-E462 PolarHBondContact O-N 3.47Å
463R77.8Confident68.2Low192 Ų192114 Ų11473%0.72558%0.579SS**Hα-helixtrans-73.9-34.1174.2-109.7-179.6167.981.5-2.9112.5M459 L460 L461M459-R463 PolarHBondContact O-N 2.96Å; L460-R463 PolarHBondContact O-N 3.3Å; L461-R463 VanDerWaalsContact C-N 3.28Å; L461-R463 PolarHBondContact O-N 3.25Å
464N67.4Low67Low100 Ų100118.3 Ų118.354%0.53561%0.61SS.*Hα-helixtrans-84.2-23.8-175.8-149.142.9000112.5L460 L461 M466 I467L460-N464 WeakPolarHBondContact O-CB 3.47Å; L460-N464 PolarHBondContact O-N 3.35Å; L461-N464 CarbonylContact O-C 3.52Å; L461-N464 PolarHBondContact O-N 3.3Å; N464-M466 PolarHBondContact O-N 3.35Å; N464-I467 WeakPolarHBondContact O-CA 3.26Å; N464-I467 VanDerWaalsContact O-CB 3.23Å; N464-I467 WeakPolarHBondContact O-CB 3.27Å; N464-I467 PolarHBondContact O-N 2.94Å; N464-I467 WeakPolarHBondContact OD1-CD1 3.5Å
465E53.3Low65.9Low146 Ų146114.4 Ų114.468%0.68260%0.599SS**THydrogen-bonded Turntrans-66.2-10.5172.7-78.9-177.8-178.900113L461 I467L461-E465 WeakPolarHBondContact O-CB 3.16Å; L461-E465 WeakPolarHBondContact O-CG 3.33Å; L461-E465 PolarHBondContact O-N 3Å; E465-I467 PolarHBondContact O-N 2.97Å
466M48.9Very low65.6Low171 Ų171117 Ų11784%0.84261%0.614SS**THydrogen-bonded Turntrans-67.5-13.3162.3-67.4-116.693.400113N464N464-M466 PolarHBondContact O-N 3.35Å
467I48Very low65.2Low81 Ų81116.4 Ų116.442%0.41562%0.617SS.*SBendtrans-93.790.1164.9-48.9180000105.7N464 E465 L469 P495N464-I467 WeakPolarHBondContact O-CA 3.26Å; N464-I467 VanDerWaalsContact O-CB 3.23Å; N464-I467 WeakPolarHBondContact O-CB 3.27Å; N464-I467 PolarHBondContact O-N 2.94Å; N464-I467 WeakPolarHBondContact OD1-CD1 3.5Å; E465-I467 PolarHBondContact O-N 2.97Å; I467-L469 PolarHBondContact O-N 3.32Å; I467-P495 HydrophobicContact CG2-CG 4.17Å
468E41.1Very low64.6Low159 Ų159114.7 Ų114.774%0.74361%0.611SS**  trans-48.2114.8162.8-83.5-177.115800107.1D470E468-D470 VanDerWaalsContact C-N 3.28Å; E468-D470 PolarHBondContact O-N 2.97Å
469L42.6Very low64.1Low167 Ų167114 Ų11487%0.87461%0.613SS**  trans-59.399.9165.7-76162.9000105.9I467I467-L469 PolarHBondContact O-N 3.32Å
470D44.5Very low63.7Low104 Ų104114 Ų11456%0.55662%0.615SS**  trans-49.7134.1170.4-93.5-38000107.7E468E468-D470 VanDerWaalsContact C-N 3.28Å; E468-D470 PolarHBondContact O-N 2.97Å
471P48.6Very low63.2Low100 Ų100115.8 Ų115.865%0.64962%0.618SS**  trans-54.5147.7-174.321.3-32000110.1C473P471-C473 PolarHBondContact O-N 3.42Å
472P45.4Very low62.8Low130 Ų130112.6 Ų112.684%0.84461%0.61SS**  trans-52.6102-162.620.3-32.8000110.6S474P472-S474 PolarHBondContact O-N 2.79Å; P472-S474 VanDerWaalsContact O-N 3.12Å
473C44Very low62.4Low64 Ų64112.6 Ų112.643%0.43261%0.608SS.*  trans-59.8117.9172.7-90.40000107.3P471 S475 S478 L479P471-C473 PolarHBondContact O-N 3.42Å; C473-S475 PolarHBondContact O-N 2.93Å; C473-S478 WeakPolarHBondContact CB-OG 3.26Å; C473-L479 HydrophobicContact CB-CD1 4.26Å
474S62.3Low62.2Low131 Ų131110.9 Ų110.992%0.91661%0.61SS**SBendtrans-65.31-171.6550000115.2P472P472-S474 PolarHBondContact O-N 2.79Å; P472-S474 VanDerWaalsContact O-N 3.12Å
475S66.9Low62.5Low66 Ų66114 Ų11446%0.46262%0.619SS.*SBendtrans-152.1131.3174.2-174.80000111.7C473 S477 S478C473-S475 PolarHBondContact O-N 2.93Å; S475-S477 PolarHBondContact O-N 2.96Å; S475-S478 PolarHBondContact O-N 3.48Å; S475-S478 PolarHBondContact O-OG 3.38Å
476I81.3Confident63Low137 Ų137108.6 Ų108.670%0.70360%0.597SS**Hα-helixtrans-47.9-31.5172.6-79.8161.1000112.6S478 L479 L480I476-S478 PolarHBondContact O-N 3.16Å; I476-L479 PolarHBondContact O-N 3.34Å; I476-L480 HydrophobicContact CG2-CD1 3.75Å; I476-L480 HydrophobicContact CG2-CG 4.35Å; I476-L480 PolarHBondContact O-N 2.9Å
477S79.4Confident62.9Low67 Ų67105.4 Ų105.447%0.46959%0.592SS.*Hα-helixtrans-63.9-36.4179.3-1720000113.4S475 K481S475-S477 PolarHBondContact O-N 2.96Å; S477-K481 WeakPolarHBondContact O-CB 3.47Å; S477-K481 PolarHBondContact O-N 3.28Å
478S75.4Confident62.8Low52 Ų52106 Ų10636%0.36460%0.603SS.*Hα-helixtrans-73.6-34.5177.465.50000111.5C473 S475 I476 K481 G482C473-S478 WeakPolarHBondContact CB-OG 3.26Å; S475-S478 PolarHBondContact O-N 3.48Å; S475-S478 PolarHBondContact O-OG 3.38Å; I476-S478 PolarHBondContact O-N 3.16Å; S478-K481 PolarHBondContact O-N 2.93Å; S478-G482 PolarHBondContact O-N 3.49Å
479L75.7Confident63.2Low112 Ų112100.2 Ų100.259%0.58658%0.58SS**Hα-helixtrans-68.1-44.2176.9-150.2140.2000110.8C473 I476 G482 F483C473-L479 HydrophobicContact CB-CD1 4.26Å; I476-L479 PolarHBondContact O-N 3.34Å; L479-G482 PolarHBondContact O-N 3.29Å; L479-F483 WeakPolarHBondContact O-CB 3.35Å; L479-F483 PolarHBondContact O-N 3.06Å
480L77.2Confident64Low99 Ų99102.4 Ų102.452%0.51858%0.583SS.*Hα-helixtrans-63.3-41.7171.8-81.1166.8000112.5I476 G482 F483 M484I476-L480 HydrophobicContact CG2-CD1 3.75Å; I476-L480 HydrophobicContact CG2-CG 4.35Å; I476-L480 PolarHBondContact O-N 2.9Å; L480-G482 VanDerWaalsContact C-N 3.3Å; L480-G482 PolarHBondContact O-N 3.41Å; L480-F483 PolarHBondContact O-N 3.15Å; L480-M484 VanDerWaalsContact O-CB 3.3Å; L480-M484 WeakPolarHBondContact O-CB 3.47Å; L480-M484 WeakPolarHBondContact O-CG 3.19Å; L480-M484 PolarHBondContact O-N 2.93Å
481K76.9Confident64.6Low138 Ų138105.7 Ų105.760%0.659%0.592SS**Hα-helixtrans-64.4-34.9173.8-87.7179.1178.2172.50112.6S477 S478 K485S477-K481 WeakPolarHBondContact O-CB 3.47Å; S477-K481 PolarHBondContact O-N 3.28Å; S478-K481 PolarHBondContact O-N 2.93Å; K481-K485 WeakPolarHBondContact O-CB 3.4Å; K481-K485 VanDerWaalsContact O-CG 3.24Å; K481-K485 WeakPolarHBondContact O-CG 3.12Å; K481-K485 PolarHBondContact O-N 2.91Å
482G77.1Confident65.1Low34 Ų34102.6 Ų102.635%0.35158%0.579SS.*Hα-helixtrans-67-47.7174.200000111.5S478 L479 L480 K485 S486S478-G482 PolarHBondContact O-N 3.49Å; L479-G482 PolarHBondContact O-N 3.29Å; L480-G482 VanDerWaalsContact C-N 3.3Å; L480-G482 PolarHBondContact O-N 3.41Å; G482-K485 PolarHBondContact O-N 2.86Å; G482-S486 PolarHBondContact O-N 3.43Å; G482-S486 PolarHBondContact O-OG 3.4Å
483F76.9Confident65.4Low114 Ų11499.1 Ų99.150%0.556%0.555SS.*Hα-helixtrans-60.2-50176-178.9-97.7000112L479 L480 K485 S486 V493L479-F483 WeakPolarHBondContact O-CB 3.35Å; L479-F483 PolarHBondContact O-N 3.06Å; L480-F483 PolarHBondContact O-N 3.15Å; F483-K485 PolarHBondContact O-N 3.48Å; F483-S486 WeakPolarHBondContact O-CB 3.33Å; F483-S486 PolarHBondContact O-N 3.34Å; F483-V493 HydrophobicContact CD2-CG1 4.16Å; F483-V493 HydrophobicContact CD2-CG2 4.38Å; F483-V493 HydrophobicContact CE2-CB 4.24Å; F483-V493 HydrophobicContact CE2-CG1 4.25Å; F483-V493 HydrophobicContact CE2-CG2 3.68Å; F483-V493 HydrophobicContact CZ-CG2 4.17Å
484M73.9Confident65.6Low156 Ų156101.4 Ų101.477%0.76856%0.559SS**Hα-helixtrans-63.9-22.7178.2-70.7-67.9-77.100113.5L480L480-M484 VanDerWaalsContact O-CB 3.3Å; L480-M484 WeakPolarHBondContact O-CB 3.47Å; L480-M484 WeakPolarHBondContact O-CG 3.19Å; L480-M484 PolarHBondContact O-N 2.93Å
485K73.5Confident64.8Low166 Ų16697.9 Ų97.972%0.72253%0.534SS*.THydrogen-bonded Turntrans-91.6-8.1174.2-75179.9-180-175.20113.4K481 G482 F483K481-K485 WeakPolarHBondContact O-CB 3.4Å; K481-K485 VanDerWaalsContact O-CG 3.24Å; K481-K485 WeakPolarHBondContact O-CG 3.12Å; K481-K485 PolarHBondContact O-N 2.91Å; G482-K485 PolarHBondContact O-N 2.86Å; F483-K485 PolarHBondContact O-N 3.48Å
486S63.2Low63.4Low32 Ų32105.3 Ų105.322%0.22455%0.552CS.*SBendtrans-87.2125.4179-59.90000108.5G482 F483 V493G482-S486 PolarHBondContact O-N 3.43Å; G482-S486 PolarHBondContact O-OG 3.4Å; F483-S486 WeakPolarHBondContact O-CB 3.33Å; F483-S486 PolarHBondContact O-N 3.34Å; S486-V493 VanDerWaalsContact CB-CG1 3.49Å
487S47.8Very low61.3Low104 Ų104108 Ų10873%0.72756%0.558SS**PPolyproline II helixtrans-79.7126.9175.150.60000109.3S489S487-S489 PolarHBondContact O-N 3.46Å
488S44.2Very low58.9Low93 Ų93113.2 Ų113.265%0.6557%0.572SS**EExtended strand (participates in β ladder)trans-65.7126170.653.70000110.4
489S49.5Very low56.5Low39 Ų39116.5 Ų116.527%0.27359%0.594SS.*EExtended strand (participates in β ladder)trans-84.9169.2157.475.60000108.6S487 K491 G492 E494S487-S489 PolarHBondContact O-N 3.46Å; S489-K491 PolarHBondContact O-N 2.86Å; S489-K491 PolarHBondContact OG-N 3.09Å; S489-G492 PolarHBondContact N-O 3.27Å; S489-G492 PolarHBondContact O-N 3.01Å; S489-G492 PolarHBondContact OG-O 3.09Å; S489-E494 WeakPolarHBondContact CB-OE1 3.42Å; S489-E494 PolarHBondContact OG-OE1 3.12Å
490F61.2Low54.2Low212 Ų212120 Ų12093%0.9361%0.607SS**THydrogen-bonded Turntrans-59.5-12.7177.878.3-87.9000113.3
491K56.3Low51.9Low173 Ų173118.4 Ų118.475%0.75262%0.615SS**THydrogen-bonded Turntrans-99.63.1178.7-153.2166.3-176.21730113.6S489S489-K491 PolarHBondContact O-N 2.86Å; S489-K491 PolarHBondContact OG-N 3.09Å
492G58.4Low49.6Very low36 Ų36118.2 Ų118.237%0.37163%0.626SS.*EExtended strand (participates in β ladder)trans118.4-169.9-179.800000113.6S489 E494S489-G492 PolarHBondContact N-O 3.27Å; S489-G492 PolarHBondContact O-N 3.01Å; S489-G492 PolarHBondContact OG-O 3.09Å; G492-E494 PolarHBondContact O-N 3.3Å
493V52.7Low47.1Very low57 Ų57126.9 Ų126.935%0.34565%0.654SS.*EExtended strand (participates in β ladder)trans-80.5105.2179.11780000109.2F483 S486 P495F483-V493 HydrophobicContact CD2-CG1 4.16Å; F483-V493 HydrophobicContact CD2-CG2 4.38Å; F483-V493 HydrophobicContact CE2-CB 4.24Å; F483-V493 HydrophobicContact CE2-CG1 4.25Å; F483-V493 HydrophobicContact CE2-CG2 3.68Å; F483-V493 HydrophobicContact CZ-CG2 4.17Å; S486-V493 VanDerWaalsContact CB-CG1 3.49Å; V493-P495 WeakPolarHBondContact O-CD 3.41Å
494E47.5Very low44.7Very low111 Ų111133.1 Ų133.152%0.51967%0.674SS.*  trans-82.3117.4172.2-71.9175.5-15000109.6S489 G492S489-E494 WeakPolarHBondContact CB-OE1 3.42Å; S489-E494 PolarHBondContact OG-OE1 3.12Å; G492-E494 PolarHBondContact O-N 3.3Å
495P46.3Very low42.4Very low58 Ų58135.5 Ų135.538%0.37768%0.68SS.*  trans-64.3139168.524.1-29.2000109.7I467 V493 K497I467-P495 HydrophobicContact CG2-CG 4.17Å; V493-P495 WeakPolarHBondContact O-CD 3.41Å; P495-K497 PolarHBondContact O-N 3.05Å
496R36.7Very low40Very low221 Ų221132.7 Ų132.783%0.83468%0.681SS**  trans-56.3111.8-177.5-80-175.6167.9-172.6-3.4110.6K498R496-K498 PolarHBondContact O-N 3.25Å
497K37.3Very low38.2Very low193 Ų193140.6 Ų140.684%0.83971%0.714SS**  trans-52.5123.2164.6-65.7-177.5-179.7178.50108.6P495 C499P495-K497 PolarHBondContact O-N 3.05Å; K497-C499 VanDerWaalsContact C-N 3.3Å; K497-C499 PolarHBondContact O-N 2.76Å
498K29.6Very low37.1Very low177 Ų177140.5 Ų140.577%0.7771%0.714SS**  trans-60.195.6172.2-76.9175.5-176157.10108.2R496 H500R496-K498 PolarHBondContact O-N 3.25Å; K498-H500 PolarHBondContact O-N 3.33Å; K498-H500 VanDerWaalsContact O-N 3.14Å
499C25.7Very low36.4Very low122 Ų122145.2 Ų145.282%0.82472%0.723SS**  trans-64.7115.6169.1-156.80000106.4K497 G501K497-C499 VanDerWaalsContact C-N 3.3Å; K497-C499 PolarHBondContact O-N 2.76Å; C499-G501 PolarHBondContact O-N 2.87Å
500H27.2Very low35.2Very low184 Ų184150.1 Ų150.185%0.85275%0.746SS**  trans-61.885.7168.7-76.5-72.1000108.3K498 T502K498-H500 PolarHBondContact O-N 3.33Å; K498-H500 VanDerWaalsContact O-N 3.14Å; H500-T502 PolarHBondContact O-N 2.63Å; H500-T502 VanDerWaalsContact O-N 3.1Å
501G28.6Very low33.8Very low67 Ų67148.4 Ų148.469%0.69174%0.744SS**  trans-69.5104176.800000109.6C499 K503C499-G501 PolarHBondContact O-N 2.87Å; G501-K503 PolarHBondContact O-N 2.87Å
502T27.7Very low32.3Very low134 Ų134144.2 Ų144.282%0.82274%0.737SS**  trans-50.7123.2155.725.90000109.1H500 R504H500-T502 PolarHBondContact O-N 2.63Å; H500-T502 VanDerWaalsContact O-N 3.1Å; T502-R504 PolarHBondContact O-N 2.84Å; T502-R504 VanDerWaalsContact O-N 3.09Å
503K25.3Very low30.8Very low216 Ų216150.3 Ų150.394%0.93976%0.761SS**  trans-40.3110.6179.9-67.7172.5176.3174.90111.9G501G501-K503 PolarHBondContact O-N 2.87Å
504R25.8Very low29.7Very low245 Ų245155.6 Ų155.693%0.92579%0.786SS**PPolyproline II helixtrans-99.2123.2158.3-79-174.4175.5154.50.2108.9T502T502-R504 PolarHBondContact O-N 2.84Å; T502-R504 VanDerWaalsContact O-N 3.09Å
505K25.7Very low28.7Very low206 Ų206156 Ų15690%0.89680%0.796SS**PPolyproline II helixtrans-53.7140.7173.4-92.1176.3170.91770110.3E507K505-E507 PolarHBondContact O-N 3.41Å
506S23.7Very low27.7Very low106 Ų106162 Ų16274%0.74182%0.818SS**PPolyproline II helixtrans-46.5120.9166.750.80000113.2
507E25.2Very low27.2Very low198 Ų198155.9 Ų155.993%0.92582%0.815SS**  trans-122.194144.1-79.2-173.216800107.5K505K505-E507 PolarHBondContact O-N 3.41Å
508S25Very low26.5Very low103 Ų103152.2 Ų152.272%0.7281%0.814SS**  trans-70.8112.9161.547.30000108.6
509K28.6Very low26.2Very low192 Ų192149 Ų14984%0.83581%0.814SS**  trans-134.794.3152.7-93.1-176.5178.6171.90108.7I511K509-I511 PolarHBondContact O-N 2.8Å
510D25.5Very low26.1Very low141 Ų141148.6 Ų148.675%0.75481%0.812SS**  trans3105.6149.4-54.6-38.4000116
511I31Very low26.3Very low176 Ų176149.1 Ų149.190%0.90382%0.815SS**  trans-118.361.4153.5-46.6176.5000106.8K509K509-I511 PolarHBondContact O-N 2.8Å
512S25.7Very low26Very low85 Ų85154.4 Ų154.459%0.59482%0.822SS**  trans-130.677.5165.259.30000106.4
513N25.4Very low26.1Very low164 Ų164155.5 Ų155.588%0.87782%0.821SS**  trans-174.549.5164.4-91.8-15.1000113
514I29.6Very low26Very low169 Ų169150 Ų15087%0.86781%0.806SS**  trans-132.669.8153.6-54179.6000107.8
515V27Very low25.9Very low120 Ų120143.9 Ų143.973%0.72780%0.795SS**  trans-118.3130.5149.9176.80000103.8
516H25.6Very low25.8Very low182 Ų182140.3 Ų140.384%0.84379%0.786SS**  trans92.285.2-173.4-54.5-70.4000116.3
517A25.7Very low26.2Very low94 Ų94142.9 Ų142.978%0.77779%0.792SS**  -176112.4111.900000109.8
518S22.9Very low26.3Very low116 Ų116141.2 Ų141.281%0.81178%0.784SS**  trans15.6123.9147.7-48.10000119.2
519S23.7Very low26.6Very low109 Ų109143 Ų14376%0.76279%0.786SS**  167.1120.190.356.40000110.6
520S23.3Very low26.6Very low113 Ų113139.5 Ų139.579%0.7978%0.78SS**  trans18.5111144.7-44.10000119
521E30.6Very low26.9Very low195 Ų195140 Ų14091%0.91178%0.781SS**  trans-132.8106.1135.2-77.5-169.7163.800108
522E22.8Very low26.8Very low179 Ų179139.2 Ų139.284%0.83677%0.773SS**  trans-72.7126.3170.3-68.1172.6151.900109.1
523I30Very low26.9Very low156 Ų156143.5 Ų143.580%0.878%0.784SS**  trans-129.986.7153-60.2-179.8000107
524T23.8Very low27.1Very low102 Ų102142.6 Ų142.663%0.62678%0.779SS**  trans13.7114.8133.856.90000117
525T23.2Very low27Very low115 Ų115139.7 Ų139.771%0.70677%0.769SS**  58.1132.199.963.70000113.3
526D23.2Very low27.4Very low132 Ų132142.8 Ų142.871%0.70678%0.776SS**  cis-159.9145.310.8-80.1-41.4000104.2
527D31.6Very low27.8Very low160 Ų160140.4 Ų140.486%0.85677%0.769SS**  trans-160.783.5146.5-99.7-23.2000108N529D527-N529 PolarHBondContact O-N 2.82Å; D527-N529 VanDerWaalsContact O-N 3.14Å
528E28.8Very low27.8Very low163 Ų163139.5 Ų139.576%0.76277%0.769SS**  trans-58.299.9160.1-76.9-85.6161.400109
529N31.7Very low28.2Very low141 Ų141145 Ų14575%0.75477%0.773SS**  trans-116.291156.4-90.1-37.7000108.7D527 I531D527-N529 PolarHBondContact O-N 2.82Å; D527-N529 VanDerWaalsContact O-N 3.14Å; N529-I531 PolarHBondContact O-N 2.97Å
530V28.5Very low28.5Very low118 Ų118144.2 Ų144.272%0.71577%0.768SS**  trans-56.597.2162.3176.80000107.9
531I31.5Very low28.6Very low151 Ų151147.9 Ų147.977%0.77477%0.772SS**  trans-90.3110164.9-61.6175.8000106.1N529 E533N529-I531 PolarHBondContact O-N 2.97Å; I531-E533 PolarHBondContact O-N 3.18Å
532Q28Very low28.4Very low159 Ų159144.8 Ų144.874%0.74376%0.762SS**  trans-56.1119.5174.1-124.7159.7-32.200109.5D534Q532-D534 VanDerWaalsContact C-N 3.33Å; Q532-D534 PolarHBondContact O-N 3.39Å
533E28.3Very low28.5Very low176 Ų176141.7 Ų141.782%0.82276%0.761SS**  trans-68.888.7169.3-67-178.8162.200109.1I531 V535I531-E533 PolarHBondContact O-N 3.18Å; E533-V535 VanDerWaalsContact C-N 3.29Å; E533-V535 HydrophobicContact CB-CG2 4.45Å; E533-V535 PolarHBondContact O-N 3.02Å
534D29.8Very low28.4Very low144 Ų144142 Ų14277%0.7776%0.758SS**  trans-77.588.3163.7-76.4-23000108.4Q532 E536Q532-D534 VanDerWaalsContact C-N 3.33Å; Q532-D534 PolarHBondContact O-N 3.39Å; D534-E536 PolarHBondContact O-N 3.38Å
535V27.7Very low28.4Very low109 Ų109142.1 Ų142.166%0.66176%0.763SS**  trans-69.582.3165.8-174.80000107.9E533 N537E533-V535 VanDerWaalsContact C-N 3.29Å; E533-V535 HydrophobicContact CB-CG2 4.45Å; E533-V535 PolarHBondContact O-N 3.02Å; V535-N537 PolarHBondContact O-N 2.68Å
536E35.1Very low28.7Very low185 Ų185144.3 Ų144.386%0.86477%0.769SS**  trans-86.3106.8166.2-163.9168-172.700108.9D534D534-E536 PolarHBondContact O-N 3.38Å
537N32.7Very low28.9Very low132 Ų132144.2 Ų144.271%0.70677%0.773SS**  trans-56.8143.8-168.6-72.9-41.6000114.3V535V535-N537 PolarHBondContact O-N 2.68Å
538G27.1Very low28.7Very low74 Ų74139.9 Ų139.976%0.76377%0.766SS**  trans-56.2139.7175.500000113.8S540G538-S540 PolarHBondContact O-N 3.09Å; G538-S540 VanDerWaalsContact O-N 3.1Å
539Y29.9Very low28.9Very low231 Ų231141.3 Ų141.391%0.90677%0.769SS**  trans-64105.5167.1-77.2-94.6000109.2E541Y539-E541 PolarHBondContact O-N 3.12Å
540S30Very low29Very low94 Ų94139.6 Ų139.666%0.65776%0.764SS**  trans-67.2124165.455.90000109.4G538 N542G538-S540 PolarHBondContact O-N 3.09Å; G538-S540 VanDerWaalsContact O-N 3.1Å; S540-N542 VanDerWaalsContact C-N 3.3Å; S540-N542 PolarHBondContact O-N 3.08Å
541E27Very low29.5Very low189 Ų189144.3 Ų144.388%0.88377%0.769SS**  trans-61.987.8168.4-69-178159.300110.2Y539 S543Y539-E541 PolarHBondContact O-N 3.12Å; E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 3.27Å
542N26.6Very low30Very low131 Ų131143.3 Ų143.370%0.70176%0.761SS**  trans-73.194.9162.3-93.121.2000108S540 H544S540-N542 VanDerWaalsContact C-N 3.3Å; S540-N542 PolarHBondContact O-N 3.08Å; N542-H544 PolarHBondContact O-N 3.2Å
543S25.1Very low30.4Very low114 Ų114138.5 Ų138.580%0.79775%0.745SS**  trans-58.578.5165.743.90000110.9E541 S545E541-S543 VanDerWaalsContact C-N 3.3Å; E541-S543 PolarHBondContact O-N 3.27Å; S543-S545 PolarHBondContact O-N 3.28Å; S543-S545 VanDerWaalsContact O-N 3.12Å
544H26.7Very low31.4Very low163 Ų163133.9 Ų133.976%0.75573%0.725SS**  trans-75.298.1157.5-92.5-60.3000108.2N542 I546N542-H544 PolarHBondContact O-N 3.2Å; H544-I546 PolarHBondContact O-N 3.49Å
545S24.7Very low32.6Very low104 Ų104130.6 Ų130.673%0.72771%0.707SS**  trans-53.392.3169.959.90000110.8S543 V547S543-S545 PolarHBondContact O-N 3.28Å; S543-S545 VanDerWaalsContact O-N 3.12Å; S545-V547 PolarHBondContact O-N 3.25Å
546I28.8Very low33.8Very low160 Ų160132.4 Ų132.482%0.82171%0.71SS**  trans-83.397.1162-61.8178.6000106.2H544 G548H544-I546 PolarHBondContact O-N 3.49Å; I546-G548 PolarHBondContact O-N 3.39Å
547V26.6Very low34.6Very low131 Ų131125.4 Ų125.479%0.79469%0.687SS**  trans-52.9122.4173172.10000110.2S545S545-V547 PolarHBondContact O-N 3.25Å
548G28.4Very low36.2Very low69 Ų69122.7 Ų122.771%0.71167%0.673SS**  trans62.979.5147.800000117.2I546I546-G548 PolarHBondContact O-N 3.39Å
549K32.7Very low37.9Very low192 Ų192122.8 Ų122.884%0.83566%0.655SS**  trans-127129.3144.3-75.5-175.8-179.9175.90108.4R551K549-R551 PolarHBondContact O-N 2.73Å
550T33.5Very low39Very low105 Ų105117.6 Ų117.664%0.64464%0.641SS**  trans-44122.4173.433.80000109.8E552T550-E552 VanDerWaalsContact C-N 3.33Å; T550-E552 PolarHBondContact O-N 3.18Å
551R38.5Very low40.3Very low217 Ų217121 Ų12182%0.81964%0.639SS**  trans-76.788.9174.7-76.8-178.1157.8-169.1-7.1107.5K549K549-R551 PolarHBondContact O-N 2.73Å
552E41.9Very low42.3Very low130 Ų130114.6 Ų114.661%0.60762%0.615SS**PPolyproline II helixtrans-64.8140.2167.2-73160.9-150.100108.8T550 M554T550-E552 VanDerWaalsContact C-N 3.33Å; T550-E552 PolarHBondContact O-N 3.18Å; E552-M554 PolarHBondContact O-N 2.88Å
553S37.1Very low43.7Very low58 Ų58113 Ų11341%0.40661%0.606SS.*PPolyproline II helixtrans-53.7121.5178.753.70000110.6
554M49.8Very low45.5Very low80 Ų80112.6 Ų112.639%0.39460%0.595SS.*PPolyproline II helixtrans-87.2125.6-179.3-64174.468.200110.2E552 D558 I559E552-M554 PolarHBondContact O-N 2.88Å; M554-D558 HydrophobicContact CB-CB 4.37Å; M554-I559 HydrophobicContact CB-CG1 4.1Å; M554-I559 HydrophobicContact CE-CG1 3.9Å
555N55.2Low47.8Very low74 Ų74109.7 Ų109.740%0.39658%0.582SS.*PPolyproline II helixtrans-71.2154.4164.5-177.3-15.2000109G557 D558 I559N555-G557 PolarHBondContact O-N 3.5Å; N555-G557 VanDerWaalsContact O-N 3.1Å; N555-G557 PolarHBondContact OD1-N 3.24Å; N555-D558 WeakPolarHBondContact CB-OD2 3.47Å; N555-D558 PolarHBondContact N-OD2 3.48Å; N555-D558 VanDerWaalsContact N-OD2 3.15Å; N555-D558 WeakPolarHBondContact O-CA 3.49Å; N555-D558 WeakPolarHBondContact O-CB 3.42Å; N555-D558 PolarHBondContact O-N 3.38Å; N555-I559 PolarHBondContact O-N 3.48Å
556M52.9Low50.1Low147 Ų147107.5 Ų107.572%0.72456%0.564SS**Hα-helixtrans-50.2-33.2171.5-171.5176.2-7400112.5I559 M560M556-I559 PolarHBondContact O-N 2.91Å; M556-M560 PolarHBondContact O-N 2.99Å
557G51.9Low51.7Low38 Ų38104 Ų10439%0.39255%0.547SS..Hα-helixtrans-62.9-37.7171.700000114N555 R561N555-G557 PolarHBondContact O-N 3.5Å; N555-G557 VanDerWaalsContact O-N 3.1Å; N555-G557 PolarHBondContact OD1-N 3.24Å; G557-R561 WeakPolarHBondContact O-CB 3.49Å; G557-R561 PolarHBondContact O-N 3.39Å
558D65.5Low53.5Low76 Ų76102.7 Ų102.741%0.40654%0.535SS..Hα-helixtrans-75.7-32.2177-57-43.6000111.7M554 N555 R561 S562M554-D558 HydrophobicContact CB-CB 4.37Å; N555-D558 WeakPolarHBondContact CB-OD2 3.47Å; N555-D558 PolarHBondContact N-OD2 3.48Å; N555-D558 VanDerWaalsContact N-OD2 3.15Å; N555-D558 WeakPolarHBondContact O-CA 3.49Å; N555-D558 WeakPolarHBondContact O-CB 3.42Å; N555-D558 PolarHBondContact O-N 3.38Å; D558-R561 PolarHBondContact O-N 2.95Å; D558-S562 VanDerWaalsContact O-CB 3.25Å; D558-S562 WeakPolarHBondContact O-CB 3.48Å; D558-S562 PolarHBondContact O-N 3.12Å
559I63Low55.1Low76 Ų76105.3 Ų105.339%0.3953%0.527SS..Hα-helixtrans-62.1-50.5170.4-61.9173.6000109.5M554 N555 M556 R561 S562 L563M554-I559 HydrophobicContact CB-CG1 4.1Å; M554-I559 HydrophobicContact CE-CG1 3.9Å; N555-I559 PolarHBondContact O-N 3.48Å; M556-I559 PolarHBondContact O-N 2.91Å; I559-R561 PolarHBondContact O-N 3.49Å; I559-S562 PolarHBondContact O-N 3.3Å; I559-L563 HydrophobicContact CG2-CD1 3.98Å; I559-L563 HydrophobicContact CG2-CG 4.44Å; I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 VanDerWaalsContact O-CG 3.28Å; I559-L563 WeakPolarHBondContact O-CG 3.35Å; I559-L563 PolarHBondContact O-N 3.25Å
560M52.4Low56.4Low121 Ų121100.6 Ų100.660%0.59651%0.51SS*.Hα-helixtrans-61.7-42.2176.4-88.3-144.5-80.500112.2M556 L563 L564M556-M560 PolarHBondContact O-N 2.99Å; M560-L563 PolarHBondContact O-N 2.95Å; M560-L564 WeakPolarHBondContact O-CB 3.28Å; M560-L564 VanDerWaalsContact O-CG 3.29Å; M560-L564 WeakPolarHBondContact O-CG 3.47Å; M560-L564 PolarHBondContact O-N 3.47Å
561R58.9Low57Low165 Ų165100.9 Ų100.962%0.62351%0.507SS*.Hα-helixtrans-63.8-41.7177-164.9-175.4-62-94.30.3111.9G557 D558 I559 L563 L564 E565G557-R561 WeakPolarHBondContact O-CB 3.49Å; G557-R561 PolarHBondContact O-N 3.39Å; D558-R561 PolarHBondContact O-N 2.95Å; I559-R561 PolarHBondContact O-N 3.49Å; R561-L563 VanDerWaalsContact C-N 3.34Å; R561-L564 PolarHBondContact O-N 3.25Å; R561-E565 WeakPolarHBondContact O-CB 3.43Å; R561-E565 PolarHBondContact O-N 3.23Å
562S69.3Low57.9Low55 Ų5593.5 Ų93.539%0.38549%0.489SS..Hα-helixtrans-63.3-40.5173.8-176.20000111.4D558 I559 E565 T566D558-S562 VanDerWaalsContact O-CB 3.25Å; D558-S562 WeakPolarHBondContact O-CB 3.48Å; D558-S562 PolarHBondContact O-N 3.12Å; I559-S562 PolarHBondContact O-N 3.3Å; S562-E565 PolarHBondContact O-N 3.26Å; S562-T566 VanDerWaalsContact O-CG2 3.31Å; S562-T566 WeakPolarHBondContact O-CG2 3.19Å; S562-T566 PolarHBondContact O-N 3.01Å; S562-T566 PolarHBondContact O-OG1 3.29Å; S562-T566 VanDerWaalsContact O-OG1 3.07Å
563L55.2Low58Low98 Ų9892.8 Ų92.851%0.51349%0.489SS..Hα-helixtrans-66-41.4177.8-73.9171.3000111.5I559 M560 R561 T566 N567I559-L563 HydrophobicContact CG2-CD1 3.98Å; I559-L563 HydrophobicContact CG2-CG 4.44Å; I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 VanDerWaalsContact O-CG 3.28Å; I559-L563 WeakPolarHBondContact O-CG 3.35Å; I559-L563 PolarHBondContact O-N 3.25Å; M560-L563 PolarHBondContact O-N 2.95Å; R561-L563 VanDerWaalsContact C-N 3.34Å; L563-T566 VanDerWaalsContact C-OG1 3.29Å; L563-T566 VanDerWaalsContact CA-OG1 3.27Å; L563-T566 WeakPolarHBondContact CA-OG1 3.48Å; L563-T566 PolarHBondContact O-N 3.36Å; L563-T566 PolarHBondContact O-OG1 3.28Å; L563-N567 PolarHBondContact O-N 3.39Å
564L63.6Low58.1Low106 Ų10696 Ų9656%0.55550%0.502SS*.Hα-helixtrans-66-45.2175-70.7169.8000111.6M560 R561 T566 N567 D568M560-L564 WeakPolarHBondContact O-CB 3.28Å; M560-L564 VanDerWaalsContact O-CG 3.29Å; M560-L564 WeakPolarHBondContact O-CG 3.47Å; M560-L564 PolarHBondContact O-N 3.47Å; R561-L564 PolarHBondContact O-N 3.25Å; L564-T566 VanDerWaalsContact C-N 3.28Å; L564-T566 PolarHBondContact O-N 3.28Å; L564-N567 WeakPolarHBondContact O-CB 3.3Å; L564-N567 PolarHBondContact O-N 3.4Å; L564-N567 VanDerWaalsContact O-N 3.1Å; L564-D568 PolarHBondContact O-N 3.04Å
565E74.2Confident57.4Low102 Ų10299.2 Ų99.248%0.47752%0.521SS..Hα-helixtrans-62.1-34.9174.3-82.6-173-170.300112.6R561 S562 K569R561-E565 WeakPolarHBondContact O-CB 3.43Å; R561-E565 PolarHBondContact O-N 3.23Å; S562-E565 PolarHBondContact O-N 3.26Å; E565-K569 WeakPolarHBondContact O-CB 3.44Å; E565-K569 WeakPolarHBondContact O-CG 3.38Å; E565-K569 PolarHBondContact O-N 3.2Å
566T73.9Confident56.2Low58 Ų58104.6 Ų104.636%0.35654%0.541SS..Hα-helixtrans-68.1-4017350.30000111.6S562 L563 L564 K569 I570S562-T566 VanDerWaalsContact O-CG2 3.31Å; S562-T566 WeakPolarHBondContact O-CG2 3.19Å; S562-T566 PolarHBondContact O-N 3.01Å; S562-T566 PolarHBondContact O-OG1 3.29Å; S562-T566 VanDerWaalsContact O-OG1 3.07Å; L563-T566 VanDerWaalsContact C-OG1 3.29Å; L563-T566 VanDerWaalsContact CA-OG1 3.27Å; L563-T566 WeakPolarHBondContact CA-OG1 3.48Å; L563-T566 PolarHBondContact O-N 3.36Å; L563-T566 PolarHBondContact O-OG1 3.28Å; L564-T566 VanDerWaalsContact C-N 3.28Å; L564-T566 PolarHBondContact O-N 3.28Å; T566-K569 PolarHBondContact O-N 3.4Å; T566-I570 WeakPolarHBondContact O-CD1 3.36Å; T566-I570 WeakPolarHBondContact O-CG1 3.17Å; T566-I570 PolarHBondContact O-N 3.18Å
567N61.4Low55Low86 Ų86100.5 Ų100.546%0.4654%0.535SS..Hα-helixtrans-64.7-41.2175.5-75.4-15.2000111.7L563 L564 K569 I570 L571L563-N567 PolarHBondContact O-N 3.39Å; L564-N567 WeakPolarHBondContact O-CB 3.3Å; L564-N567 PolarHBondContact O-N 3.4Å; L564-N567 VanDerWaalsContact O-N 3.1Å; N567-K569 PolarHBondContact O-N 3.36Å; N567-I570 PolarHBondContact O-N 2.77Å; N567-L571 WeakPolarHBondContact O-CB 3.36Å; N567-L571 VanDerWaalsContact O-CG 3.3Å; N567-L571 WeakPolarHBondContact O-CG 3.36Å; N567-L571 PolarHBondContact O-N 2.99Å
568D64.2Low53.6Low104 Ų104104.4 Ų104.456%0.55656%0.557SS**Hα-helixtrans-65.2-38.2175.2-75.8-20.1000112.1L564 L571 S572L564-D568 PolarHBondContact O-N 3.04Å; D568-L571 PolarHBondContact O-N 2.9Å; D568-S572 VanDerWaalsContact O-CB 3.29Å; D568-S572 WeakPolarHBondContact O-CB 3.04Å; D568-S572 PolarHBondContact O-N 2.9Å; D568-S572 PolarHBondContact O-OG 2.92Å
569K62.7Low51.7Low124 Ų124109.4 Ų109.454%0.53958%0.58SS.*Hα-helixtrans-64.5-40.2172.6-78.6170.5-174.8156.90111.8E565 T566 N567 S572 N573E565-K569 WeakPolarHBondContact O-CB 3.44Å; E565-K569 WeakPolarHBondContact O-CG 3.38Å; E565-K569 PolarHBondContact O-N 3.2Å; T566-K569 PolarHBondContact O-N 3.4Å; N567-K569 PolarHBondContact O-N 3.36Å; K569-S572 WeakPolarHBondContact CA-OG 3.16Å; K569-S572 PolarHBondContact O-N 2.89Å; K569-S572 PolarHBondContact O-OG 3.04Å; K569-N573 WeakPolarHBondContact O-CB 3.46Å; K569-N573 PolarHBondContact O-N 2.93Å
570I59Low49.7Very low92 Ų92115.6 Ų115.647%0.47260%0.604SS.*Hα-helixtrans-64.1-45.7175.3-67.7161.9000110.4T566 N567 S572 N573 N574T566-I570 WeakPolarHBondContact O-CD1 3.36Å; T566-I570 WeakPolarHBondContact O-CG1 3.17Å; T566-I570 PolarHBondContact O-N 3.18Å; N567-I570 PolarHBondContact O-N 2.77Å; I570-S572 VanDerWaalsContact C-N 3.34Å; I570-S572 PolarHBondContact O-N 3.02Å; I570-N573 PolarHBondContact O-N 3.21Å; I570-N574 PolarHBondContact O-N 2.66Å
571L47.6Very low48.3Very low112 Ų112117.3 Ų117.359%0.58662%0.615SS**Hα-helixtrans-62.9-38.7176.3-71.5167.5000112.2N567 D568N567-L571 WeakPolarHBondContact O-CB 3.36Å; N567-L571 VanDerWaalsContact O-CG 3.3Å; N567-L571 WeakPolarHBondContact O-CG 3.36Å; N567-L571 PolarHBondContact O-N 2.99Å; D568-L571 PolarHBondContact O-N 2.9Å
572S56.2Low46.6Very low62 Ų62113.4 Ų113.443%0.43462%0.618SS.*Hα-helixtrans-72.7-30.9177.776.90000113.4D568 K569 I570D568-S572 VanDerWaalsContact O-CB 3.29Å; D568-S572 WeakPolarHBondContact O-CB 3.04Å; D568-S572 PolarHBondContact O-N 2.9Å; D568-S572 PolarHBondContact O-OG 2.92Å; K569-S572 WeakPolarHBondContact CA-OG 3.16Å; K569-S572 PolarHBondContact O-N 2.89Å; K569-S572 PolarHBondContact O-OG 3.04Å; I570-S572 VanDerWaalsContact C-N 3.34Å; I570-S572 PolarHBondContact O-N 3.02Å
573N44.3Very low44.3Very low115 Ų115120.8 Ų120.862%0.61564%0.643SS**Hα-helixtrans-79.2-32177.7-85.3-12.7000112.6K569 I570 N575 K576K569-N573 WeakPolarHBondContact O-CB 3.46Å; K569-N573 PolarHBondContact O-N 2.93Å; I570-N573 PolarHBondContact O-N 3.21Å; N573-N575 PolarHBondContact O-N 3.45Å; N573-K576 PolarHBondContact O-N 2.99Å
574N38.7Very low42.8Very low126 Ų126120.4 Ų120.467%0.67465%0.654SS**Hα-helixtrans-67-20.6174.4-78.2-4.3000113I570 K576I570-N574 PolarHBondContact O-N 2.66Å; N574-K576 PolarHBondContact O-N 3.37Å
575N36Very low41Very low147 Ų147124 Ų12479%0.78667%0.668SS**THydrogen-bonded Turntrans-86.35175.8-81-20.6000115N573N573-N575 PolarHBondContact O-N 3.45Å
576K30.4Very low38.4Very low187 Ų187126.3 Ų126.381%0.81368%0.684SS**THydrogen-bonded Turntrans-118.321.5178-72.6-176.5-179.7170.30114.5N573 N574N573-K576 PolarHBondContact O-N 2.99Å; N574-K576 PolarHBondContact O-N 3.37Å
577G25.8Very low36.2Very low60 Ų60131.6 Ų131.662%0.61971%0.708SS**SBendtrans-118.747.1-177.500000115.4
578S23.9Very low34.4Very low120 Ų120136.3 Ų136.384%0.83972%0.724SS**  trans-179.6104.1152.8-90.40000112.7
579M25.2Very low32.5Very low182 Ų182135.9 Ų135.990%0.89773%0.729SS**  trans-176.280.5132.2-102.2-164.672.700110.2
580K20.1Very low30.7Very low205 Ų205136.9 Ų136.989%0.89175%0.75SS**  trans-123.489.2149.3-85.2-174.3178176.70107.2
581L24Very low28.9Very low158 Ų158140.7 Ų140.783%0.82776%0.764SS**  trans-171.8134.6135.5-134.285.1000112.6
582A23.8Very low27.8Very low82 Ų82139.8 Ų139.868%0.67877%0.772SS**  trans47.2116.414000000121.9A584A582-A584 PolarHBondContact O-N 3.08Å
583K20.8Very low26.2Very low210 Ų210144.5 Ų144.591%0.91379%0.787SS**  -1.6112.3129.5-64.2173.2178175.10115.4
584A24.1Very low25.2Very low90 Ų90144 Ų14474%0.74479%0.793SS**  trans179.5117.8133.600000111.4A582A582-A584 PolarHBondContact O-N 3.08Å
585Q24Very low24.5Very low182 Ų182144.7 Ų144.785%0.8580%0.796SS**  trans25.7110.8139.5-65.7174.7-29.300120
586N20.5Very low23.7Very low151 Ų151143.4 Ų143.481%0.80780%0.798SS**  56.884.6108.8-135-10.3000117.1
587I27.1Very low23.4Very low169 Ų169141 Ų14187%0.86779%0.793SS**  trans-128.7133.9153.6-63.3-179.5000109.1
588K24.9Very low23.5Very low185 Ų185144.8 Ų144.880%0.80480%0.798SS**  trans-76.2142.3-167.5-65.8168.7174.4174.20112.6
589S23.8Very low23.4Very low95 Ų95147.4 Ų147.466%0.66480%0.803SS**  40.7101.6128.7168.50000117.9
590C24.2Very low23.3Very low145 Ų145143.2 Ų143.298%0.9879%0.791SS**  trans-103.2127.8139.6-790000108.6
591K21Very low23.5Very low172 Ų172138.6 Ų138.675%0.74879%0.785SS**  trans-124.4120.6-168.6-169.5-172.7-164.4-177.60105.4
592A25.5Very low23.6Very low92 Ų92140.1 Ų140.176%0.7679%0.788SS**  trans-167.595.5158.600000105.9
593Q21.9Very low23.5Very low161 Ų161145.8 Ų145.875%0.75280%0.8SS**  50.5103.883.3-64.6-177.3-21.200110.5
594S24.4Very low23.7Very low106 Ų106145 Ų14574%0.74180%0.797SS**  172144.399.1-72.10000107.1
595L23.7Very low23.4Very low140 Ų140147.3 Ų147.373%0.73380%0.802SS**  cis-162.6120.51.6-96.4156000105.6L597L595-L597 HydrophobicContact CD2-CD1 4.05Å
596S19.2Very low23.4Very low119 Ų119144.8 Ų144.883%0.83280%0.803SS**  trans-84.4120.8158.2540000108
597L24.4Very low23.5Very low136 Ų136145.2 Ų145.271%0.71281%0.805SS**  trans-143.8125.5171-98.4164.9000111.3L595L595-L597 HydrophobicContact CD2-CD1 4.05Å
598I27.1Very low23.4Very low140 Ų140142.9 Ų142.972%0.71880%0.799SS**  trans85.485.8156.7-49.1160.5000115.7
599N22Very low23.4Very low176 Ų176142.2 Ų142.294%0.94180%0.803SS**  trans-123.3107.4141.7-103.5-19.3000107.6
600S22.6Very low23.5Very low93 Ų93143.1 Ų143.165%0.6580%0.804SS**  trans-138.1119.1168.258.90000110.3
601S23.6Very low23.5Very low109 Ų109140.3 Ų140.376%0.76279%0.787SS**  trans59.7103.7148.863.30000118.9
602Q27.8Very low23.9Very low190 Ų190138.7 Ų138.789%0.88879%0.786SS**  -153.3101.4121.3-102.6176.83500109.5K604Q602-K604 PolarHBondContact O-N 3.41Å
603Q21.5Very low24.2Very low201 Ų201139.6 Ų139.694%0.93979%0.787SS**  trans-68.6113164.3-82.9170.4-36.400108.5
604K23.6Very low24.8Very low193 Ų193137.3 Ų137.384%0.83978%0.78SS**  trans-133.7123.8152.4-88.6-175.4178.1175.80108.4Q602 C606Q602-K604 PolarHBondContact O-N 3.41Å; K604-C606 PolarHBondContact O-N 2.66Å
605T19.1Very low25.3Very low139 Ų139139.9 Ų139.985%0.85378%0.78SS**  trans-61.2115.7-177.3500000111.8
606C24.4Very low25.9Very low128 Ų128137.8 Ų137.887%0.86577%0.77SS**  trans-145.4139.6154.8-82.30000108.1K604K604-C606 PolarHBondContact O-N 2.66Å
607D22.7Very low27.2Very low160 Ų160136.8 Ų136.886%0.85676%0.755SS**  trans-65.8142.7-160.3-63.2-59.1000115.5L609D607-L609 PolarHBondContact O-N 3.46Å
608V23.1Very low27.8Very low121 Ų121134.6 Ų134.673%0.73374%0.744SS**  trans-7.2105.2156.2-1750000115.7
609L26.3Very low28.2Very low170 Ų170133 Ų13389%0.8974%0.735SS**  trans-13995.7139.7-71.1-179.4000107.6D607D607-L609 PolarHBondContact O-N 3.46Å
610T25.7Very low29.3Very low114 Ų114128.4 Ų128.470%0.69971%0.708SS**  trans-53.1125.1159.145.10000108.6
611S23.4Very low30.1Very low87 Ų87125.2 Ų125.261%0.60868%0.684SS**  40.8118.197.776.80000111.8
612D29.3Very low30.8Very low137 Ų137124.5 Ų124.573%0.73367%0.665SS**  -150.5160.255.3-75.4-49000113.2
613S32.1Very low30.9Very low111 Ų111116.3 Ų116.378%0.77663%0.631SS**  trans-94.695180174.10000108.2
614D34.5Very low31.5Very low114 Ų114112 Ų11261%0.6162%0.621SS**  trans-90.6111.2-178.7-63.8-33.5000110.3D616D614-D616 PolarHBondContact O-N 2.92Å; D614-D616 VanDerWaalsContact O-N 3.13Å
615E34.1Very low32Very low160 Ų160110.8 Ų110.875%0.74862%0.618SS**THydrogen-bonded Turntrans-71.513.1169.5-77.1-79.7162.600112.7
616D38.1Very low33Very low95 Ų95105.4 Ų105.451%0.50859%0.586SS.*THydrogen-bonded Turntrans-91.9-7-172.2-73.1-39.4000114.5D614 L618 I619 H620D614-D616 PolarHBondContact O-N 2.92Å; D614-D616 VanDerWaalsContact O-N 3.13Å; D616-L618 PolarHBondContact O-N 3.17Å; D616-I619 PolarHBondContact O-N 3.5Å; D616-H620 PolarHBondContact O-CD2 2.91Å
617D45.3Very low33.7Very low99 Ų99105.3 Ų105.353%0.52957%0.573SS.*THydrogen-bonded Turntrans-62.6-25.6-179.2-82.5-17.5000113.7
618L36.6Very low34.4Very low90 Ų90105.8 Ų105.847%0.47156%0.564SS.*THydrogen-bonded Turntrans-74-30.1-179.2-76.5167.7000113.1D616 H620 L621D616-L618 PolarHBondContact O-N 3.17Å; L618-H620 VanDerWaalsContact C-N 3.35Å; L618-L621 PolarHBondContact O-N 3.39Å
619I36.1Very low34.6Very low106 Ų106103.4 Ų103.454%0.54455%0.553SS.*Hα-helixtrans-73.9-31.6-179.5-62.5172000110.4D616 L621 Y622 G623D616-I619 PolarHBondContact O-N 3.5Å; I619-L621 PolarHBondContact O-N 2.9Å; I619-Y622 PolarHBondContact O-N 3.5Å; I619-G623 PolarHBondContact O-N 2.82Å
620H44.2Very low34.9Very low79 Ų7999.2 Ų99.237%0.36653%0.534SS..Hα-helixtrans-65.3-15.9177.5-82.4-98000114.1D616 L618 S626 E627D616-H620 PolarHBondContact O-CD2 2.91Å; L618-H620 VanDerWaalsContact C-N 3.35Å; H620-S626 WeakPolarHBondContact O-CB 3.47Å; H620-E627 VanDerWaalsContact CE1-CG 3.48Å; H620-E627 WeakPolarHBondContact CE1-CG 3.4Å; H620-E627 IonicContact CE1-OE1 2.87Å; H620-E627 IonicContact CE1-OE2 3.44Å; H620-E627 IonicContact ND1-OE2 3.58Å
621L40.6Very low35Very low27 Ų27101.9 Ų101.914%0.14153%0.533CS..Hα-helixtrans-98.8-30.8179.3-162.365000113.6W225 F229 L618 I619W225-L621 HydrophobicContact CD2-CD2 4.46Å; W225-L621 HydrophobicContact CE3-CD2 3.41Å; W225-L621 VanDerWaalsContact CE3-CD2 3.41Å; W225-L621 HydrophobicContact CZ3-CD2 3.6Å; F229-L621 HydrophobicContact CE2-CD1 4.15Å; L618-L621 PolarHBondContact O-N 3.39Å; I619-L621 PolarHBondContact O-N 2.9Å
622Y37.4Very low35.1Very low93 Ų93107.1 Ų107.137%0.36555%0.545SS..Hα-helixtrans-120.3-1.6-170.4-62.2-71.9000114.9W225 P280 I619W225-Y622 WeakPolarHBondContact CH2-OH 3.33Å; W225-Y622 HydrophobicContact CZ3-CE2 4.46Å; W225-Y622 WeakPolarHBondContact CZ3-OH 3.36Å; P280-Y622 HydrophobicContact CB-CE1 3.83Å; I619-Y622 PolarHBondContact O-N 3.5Å
623G29.8Very low35.2Very low18 Ų18108.3 Ų108.319%0.18654%0.543CS..SBendtrans-88.5146.9-178.400000114I619 H625 S626I619-G623 PolarHBondContact O-N 2.82Å; G623-H625 PolarHBondContact O-N 2.91Å; G623-S626 PolarHBondContact O-N 3.08Å; G623-S626 VanDerWaalsContact O-N 3.15Å; G623-S626 PolarHBondContact O-OG 3.38Å
624P34.8Very low35Very low111 Ų111109.3 Ų109.372%0.72154%0.54SS*.THydrogen-bonded Turntrans-62.1-6.9170.525.1-32.9000114.1
625H33.9Very low34.5Very low168 Ų168108.8 Ų108.878%0.77854%0.544SS*.THydrogen-bonded Turntrans-12021179.4-60.7-44.4000113.5G623G623-H625 PolarHBondContact O-N 2.91Å
626S39.6Very low34.1Very low26 Ų26107.1 Ų107.118%0.18255%0.545CS..  trans-52.6142.9169.556.30000111.3H620 G623 Y628 S629H620-S626 WeakPolarHBondContact O-CB 3.47Å; G623-S626 PolarHBondContact O-N 3.08Å; G623-S626 VanDerWaalsContact O-N 3.15Å; G623-S626 PolarHBondContact O-OG 3.38Å; S626-Y628 PolarHBondContact O-N 3.11Å; S626-S629 VanDerWaalsContact O-CB 3.3Å; S626-S629 WeakPolarHBondContact O-CB 3.25Å; S626-S629 PolarHBondContact O-N 2.89Å
627E39.5Very low33.4Very low126 Ų126106.9 Ų106.959%0.58955%0.551SS**Hα-helixtrans-58.4-10.1-175.4-85.9-179.317400115H620 T630H620-E627 VanDerWaalsContact CE1-CG 3.48Å; H620-E627 WeakPolarHBondContact CE1-CG 3.4Å; H620-E627 IonicContact CE1-OE1 2.87Å; H620-E627 IonicContact CE1-OE2 3.44Å; H620-E627 IonicContact ND1-OE2 3.58Å; E627-T630 PolarHBondContact O-OG1 3.3Å
628Y37Very low32.5Very low169 Ų169112.5 Ų112.566%0.66357%0.571SS**Hα-helixtrans-82.4-14.2171.8-77.4-81.3000114.1S626S626-Y628 PolarHBondContact O-N 3.11Å
629S29.1Very low32Very low72 Ų72112.8 Ų112.850%0.50358%0.581SS.*Hα-helixtrans-74.3-26.8172.8-174.50000112.5S626S626-S629 VanDerWaalsContact O-CB 3.3Å; S626-S629 WeakPolarHBondContact O-CB 3.25Å; S626-S629 PolarHBondContact O-N 2.89Å
630T32.6Very low31.3Very low81 Ų81113.1 Ų113.150%0.49759%0.592SS.*Hα-helixtrans-88.9-18.7178.934.40000114E627 F632 K633E627-T630 PolarHBondContact O-OG1 3.3Å; T630-F632 PolarHBondContact O-N 2.95Å; T630-F632 VanDerWaalsContact O-N 3.09Å; T630-K633 PolarHBondContact O-N 2.94Å
631Y27Very low30.4Very low171 Ų171115.3 Ų115.367%0.67161%0.611SS**THydrogen-bonded Turntrans-64.2-17.1179.3-129.1-87.8000113.9
632F26.2Very low29.4Very low197 Ų197121.3 Ų121.386%0.86464%0.644SS**THydrogen-bonded Turntrans-83.7-5.5172.2-91.4-79.3000114.9T630T630-F632 PolarHBondContact O-N 2.95Å; T630-F632 VanDerWaalsContact O-N 3.09Å
633K31.2Very low28.9Very low161 Ų161122 Ų12270%0.766%0.662SS**THydrogen-bonded Turntrans-92.2-28.6179.9-85.1-179.6177.9172.80114.8T630T630-K633 PolarHBondContact O-N 2.94Å
634D27Very low28.4Very low132 Ų132129.8 Ų129.871%0.70669%0.694SS**SBendtrans-106.12.3-167.8-67.6-14.4000115.5T636D634-T636 VanDerWaalsContact C-N 3.3Å; D634-T636 PolarHBondContact O-N 3.41Å
635C23.5Very low28Very low103 Ų103132.5 Ų132.570%0.69670%0.702SS**SBendtrans-92.145.1170.1-70.10000112.9
636T26.7Very low27.3Very low125 Ų125130.6 Ų130.677%0.76770%0.702SS**SBendtrans-143.858.3158.257.20000111.4D634D634-T636 VanDerWaalsContact C-N 3.3Å; D634-T636 PolarHBondContact O-N 3.41Å
637S23.8Very low26.7Very low90 Ų90138.5 Ų138.563%0.62974%0.738SS**  trans-162.875.9164.149.10000111.6
638F26.6Very low25.7Very low217 Ų217138.3 Ų138.395%0.95274%0.741SS**  trans-118.794.3142.7-88.2-78.5000107.2
639S24.7Very low24.9Very low97 Ų97140.8 Ų140.868%0.67875%0.749SS**  trans-64.2135170.450.90000110.1T641S639-T641 PolarHBondContact O-N 3.42Å
640S21.4Very low24.7Very low112 Ų112143 Ų14378%0.78377%0.765SS**  trans-48.4121.8154.553.40000110.9
641T26.1Very low24.1Very low125 Ų125148.5 Ų148.577%0.76778%0.782SS**  trans-136116.2151.149.40000108.4S639S639-T641 PolarHBondContact O-N 3.42Å
642D20.8Very low24Very low154 Ų154148.1 Ų148.182%0.82479%0.786SS**  trans-46.5142.4164.9-60-55.5000112.3
643S25.4Very low23.8Very low108 Ų108146.2 Ų146.276%0.75578%0.78SS**  164.1117.6114.261.20000110.8
644E20.5Very low23.4Very low181 Ų181143.5 Ų143.585%0.84678%0.781SS**  trans14.1118.8143.7-56.7-175.1157.100118.3
645N25.3Very low23.3Very low168 Ų168146.9 Ų146.990%0.89879%0.79SS**  -156.6126.6125-98.9-40.2000112.1
646V20.8Very low23.1Very low128 Ų128151.3 Ų151.378%0.77680%0.8SS**  trans-69128.9177.1170.80000110
647M25Very low23.2Very low191 Ų191152 Ų15294%0.94180%0.804SS**  trans-144.9129.2141.6-93.3-60.9-98.800109.8
648D19.7Very low23.1Very low122 Ų122157 Ų15765%0.65281%0.814SS**  trans-95.1162.2-164.6-174.620.8000112
649R20.4Very low23Very low221 Ų221152.3 Ų152.383%0.83481%0.809SS**  trans77.6128.2167.4-57.4177.6174-169.9-6.8116.8
650S24.9Very low23.1Very low119 Ų119157.1 Ų157.183%0.83282%0.817SS**  cis-154.4144.240.650.10000113.1
651K19.1Very low23.2Very low196 Ų196156.5 Ų156.585%0.85281%0.813SS**  trans-77.2140.5167.2-68.4171174174.50109.5
652H26.2Very low23.3Very low163 Ų163158.3 Ų158.376%0.75582%0.816SS**  -172.3114.8125.7-102.6-73.6000112.6
653Q21.8Very low23.4Very low158 Ų158158 Ų15874%0.73881%0.813SS**  trans59.9103.1133.8-82.8167.4-15.300121.9
654S21.3Very low23.3Very low103 Ų103160.4 Ų160.472%0.7281%0.812SS**  47.6117.4115.263.60000120
655K25.2Very low23.4Very low204 Ų204157.7 Ų157.789%0.88781%0.812SS**  trans-154.3109.1132.7-104.8169.1-172.5179.50109.7
656E20.4Very low23.3Very low195 Ų195157.8 Ų157.891%0.91181%0.807SS**  trans-57.4131.1164.2-75172.412500110.1
657V27.2Very low23.5Very low141 Ų141162.4 Ų162.486%0.85581%0.81SS**  trans-123.5118.5159.3177.60000107.4
658K22.9Very low23.3Very low193 Ų193159.7 Ų159.784%0.83980%0.804SS**PPolyproline II helixtrans-55.6130-174.1-69.5172.81751780112.6K660K658-K660 PolarHBondContact O-N 3.23Å
659S23.8Very low23.6Very low120 Ų120159.6 Ų159.684%0.83980%0.803SS**PPolyproline II helixtrans-52.1121.8162.241.90000112
660K27Very low23.7Very low197 Ų197154.8 Ų154.886%0.85780%0.803SS**PPolyproline II helixtrans-97.2116.1169.8-79.7-176.6176.1-179.90110.2K658K658-K660 PolarHBondContact O-N 3.23Å
661S24.2Very low23.6Very low100 Ų100155 Ų15570%0.69980%0.799SS**  trans39.699146.261.40000118.7
662I27.3Very low23.9Very low163 Ų163152.5 Ų152.584%0.83680%0.8SS**  trans-76.9116.3152.6-65165.5000106.6
663I23.1Very low23.7Very low148 Ų148149.5 Ų149.576%0.75980%0.798SS**  trans-83.7117171.7-64.3174.7000107.3
664H22.3Very low23.8Very low157 Ų157150 Ų15073%0.72781%0.805SS**  trans-80.1115.4177.1-114.4-11.4000109.9H666H664-H666 PolarHBondContact O-N 3.3Å
665C23.2Very low23.8Very low124 Ų124153.1 Ų153.184%0.83881%0.809SS**  trans-77.4108.9165.7-70.30000109.2R667C665-R667 PolarHBondContact O-N 3.02Å
666H24.5Very low23.7Very low171 Ų171148.5 Ų148.579%0.79280%0.802SS**  trans-67.6119176.6-82.4-88.2000111.1H664 T668H664-H666 PolarHBondContact O-N 3.3Å; H666-T668 PolarHBondContact O-N 2.91Å
667R23.2Very low23.8Very low225 Ų225147.6 Ų147.685%0.84980%0.797SS**  trans-80.4104.4160.6-167.8176.4-169.7167.33.5107.5C665 I669C665-R667 PolarHBondContact O-N 3.02Å; R667-I669 HydrophobicContact CG-CG1 4.4Å; R667-I669 PolarHBondContact O-N 3.25Å; R667-I669 VanDerWaalsContact O-N 3.09Å
668T21.8Very low23.7Very low133 Ų133146 Ų14682%0.81679%0.793SS**  trans-7099.7173.637.50000109.6H666H666-T668 PolarHBondContact O-N 2.91Å
669I26.4Very low23.5Very low121 Ų121142 Ų14262%0.62179%0.789SS**  trans-98.8106.1162.5-60.5176.1000106.6R667 T671R667-I669 HydrophobicContact CG-CG1 4.4Å; R667-I669 PolarHBondContact O-N 3.25Å; R667-I669 VanDerWaalsContact O-N 3.09Å; I669-T671 HydrophobicContact CG2-CG2 4.29Å; I669-T671 PolarHBondContact O-N 2.78Å
670S22.2Very low23.5Very low120 Ų120143 Ų14384%0.83980%0.795SS**  trans-61.4101.6169.411.20000109
671T23.4Very low23.1Very low124 Ų124142 Ų14276%0.76180%0.798SS**  trans-101.6109.5169.436.40000108.3I669 S673I669-T671 HydrophobicContact CG2-CG2 4.29Å; I669-T671 PolarHBondContact O-N 2.78Å; T671-S673 PolarHBondContact O-N 3.3Å
672T24.9Very low23.1Very low142 Ų142142.8 Ų142.887%0.87180%0.803SS**  trans-71.7117.8164.946.50000108.8
673S21.7Very low22.7Very low100 Ų100140 Ų14070%0.69980%0.798SS**  trans-60.5132.5170.152.90000111.9T671T671-S673 PolarHBondContact O-N 3.3Å
674N24.6Very low22.8Very low168 Ų168140.8 Ų140.890%0.89880%0.804SS**  trans-148.3132.1139.6-100.6-23.8000111.6
675Q21Very low22.8Very low169 Ų169141.1 Ų141.179%0.7981%0.811SS**  trans-84.5152.3-171.5-63.2164.6-20.500111.4
676S23.4Very low22.8Very low107 Ų107144.7 Ų144.775%0.74882%0.815SS**  trans156.4107.1132.6490000110.1
677H21.6Very low22.7Very low176 Ų176145.8 Ų145.882%0.81582%0.818SS**  78.8103.890.1-74.2-64.5000115.3
678S24.2Very low22.8Very low108 Ų108140.4 Ų140.476%0.75581%0.812SS**  trans162.8100.6135.545.40000108.2
679S20.1Very low22.8Very low110 Ų110143.1 Ų143.177%0.76982%0.815SS**  63.2101.391.470.40000114.4
680C22.4Very low22.6Very low140 Ų140144.5 Ų144.595%0.94682%0.824SS**  trans-159.7123.7136.2-1020000109.8
681L19.8Very low22.8Very low176 Ų176143.6 Ų143.692%0.92182%0.817SS**  trans-75.8139.1175.8-71.7141.1000110.7
682S23.4Very low22.8Very low116 Ų116144.7 Ų144.781%0.81182%0.817SS**  trans-174.1123.2130.145.70000110
683S20.1Very low22.9Very low105 Ų105148.3 Ų148.373%0.73482%0.816SS**  trans-56.4135166.2460000112
684D24.9Very low23Very low165 Ų165149.7 Ų149.788%0.88282%0.821SS**  -159.4132.4126.8-90.7-27.4000110
685N21.6Very low23.2Very low163 Ų163146.8 Ų146.887%0.87281%0.814SS**  trans-70.9123.5173.7-78.2-49.1000109
686E23.1Very low23.7Very low199 Ų199143.8 Ų143.893%0.9381%0.811SS**  trans-162.8130.4140.3-110.8167.4-162.300110.9
687K22.9Very low24.2Very low195 Ų195148 Ų14885%0.84882%0.816SS**  trans-75.5158.3-176.3-92.4178.7178.2178.10111.4
688P24.7Very low24.9Very low112 Ų112145.4 Ų145.473%0.72781%0.812SS**  trans-81.4135.8-152.932.2-33.4000112.5
689H22.5Very low25.4Very low189 Ų189149.7 Ų149.788%0.87582%0.817SS**  trans-79.4113.3163.1-90.3-87.9000109.4S691H689-S691 PolarHBondContact O-N 3.18Å
690D23Very low26.4Very low151 Ų151152.8 Ų152.881%0.80782%0.817SS**  trans-57.7111165.8-74.2-41.4000109.9
691S24.6Very low27.2Very low100 Ų100151.2 Ų151.270%0.69981%0.807SS**  trans-100.9102.1167.555.40000108.9H689 Y693H689-S691 PolarHBondContact O-N 3.18Å; S691-Y693 PolarHBondContact O-N 3.31Å; S691-Y693 VanDerWaalsContact O-N 3.17Å
692I25.3Very low28.8Very low148 Ų148150.2 Ų150.276%0.75980%0.796SS**  trans-65.5107.9172-64.9168.1000107.8T694I692-T694 HydrophobicContact CG2-CG2 4.47Å; I692-T694 PolarHBondContact O-N 3.48Å; I692-T694 VanDerWaalsContact O-N 3.14Å
693Y26.7Very low30.4Very low218 Ų218147.5 Ų147.586%0.85578%0.777SS**  trans-66.6105.6168.5-99-93.2000109.5S691 S695S691-Y693 PolarHBondContact O-N 3.31Å; S691-Y693 VanDerWaalsContact O-N 3.17Å; Y693-S695 PolarHBondContact O-N 3.01Å
694T22.7Very low31.8Very low129 Ų129147.4 Ų147.479%0.79177%0.766SS**  trans-82.396169.241.20000109.1I692 S696I692-T694 HydrophobicContact CG2-CG2 4.47Å; I692-T694 PolarHBondContact O-N 3.48Å; I692-T694 VanDerWaalsContact O-N 3.14Å; T694-S696 PolarHBondContact O-N 3.39Å
695S30.1Very low33.4Very low107 Ų107147.6 Ų147.675%0.74876%0.759SS**  trans-81.1106.4168.1173.10000109.4Y693 K697Y693-S695 PolarHBondContact O-N 3.01Å; S695-K697 PolarHBondContact O-N 2.86Å; S695-K697 VanDerWaalsContact O-N 3.14Å
696S31.1Very low35.7Very low105 Ų105145.6 Ų145.673%0.73474%0.742SS**  trans-68.4101.8175.655.10000110.7T694 V698T694-S696 PolarHBondContact O-N 3.39Å; S696-V698 PolarHBondContact O-N 3.12Å; S696-V698 VanDerWaalsContact O-N 3.16Å
697K34.4Very low37.5Very low197 Ų197140.3 Ų140.386%0.85772%0.715SS**  trans-68.4103.4173-71.5-177.6177-179.60110.7S695 K699S695-K697 PolarHBondContact O-N 2.86Å; S695-K697 VanDerWaalsContact O-N 3.14Å; K697-K699 PolarHBondContact O-N 3.04Å
698V35.8Very low38.9Very low121 Ų121135.1 Ų135.173%0.73370%0.696SS**  trans-78110.3167.5177.20000108.6S696 K700S696-V698 PolarHBondContact O-N 3.12Å; S696-V698 VanDerWaalsContact O-N 3.16Å; V698-K700 PolarHBondContact O-N 3.08Å; V698-K700 VanDerWaalsContact O-N 3.11Å
699K34.8Very low40.8Very low197 Ų197132.7 Ų132.786%0.85768%0.681SS**  trans-61.6104.6173.2-71.4180176.2-177.80109.8K697K697-K699 PolarHBondContact O-N 3.04Å
700K40.8Very low42.9Very low175 Ų175128.5 Ų128.576%0.76166%0.662SS**PPolyproline II helixtrans-85.6116.4166.8-77.5178178.7170.60108.2V698 F702V698-K700 PolarHBondContact O-N 3.08Å; V698-K700 VanDerWaalsContact O-N 3.11Å; K700-F702 PolarHBondContact O-N 2.99Å
701S39.6Very low44.4Very low107 Ų107123.1 Ų123.175%0.74863%0.633SS**PPolyproline II helixtrans-61.2120.7171.558.70000109.6S703S701-S703 PolarHBondContact O-N 2.98Å
702F52.2Low46.2Very low156 Ų156123.5 Ų123.568%0.68462%0.624SS**PPolyproline II helixtrans-65.2127.6172.3-179.1-99.2000109.3K700 M704 Y707K700-F702 PolarHBondContact O-N 2.99Å; F702-M704 HydrophobicContact CE1-SD 4.39Å; F702-Y707 AromaticContact CE2-CD2 3.96Å; F702-Y707 HydrophobicContact CE2-CD2 3.96Å; F702-Y707 HydrophobicContact CE2-CG 4.11Å; F702-Y707 HydrophobicContact CZ-CD2 4.25Å; F702-Y707 HydrophobicContact CZ-CG 4.05Å
703S57.3Low48.1Very low59 Ų59121.7 Ų121.741%0.41362%0.616SS.*  trans-125.5124174177.90000107.5S701 K705 K706 Y707S701-S703 PolarHBondContact O-N 2.98Å; S703-K705 PolarHBondContact O-N 3.47Å; S703-K705 VanDerWaalsContact O-N 3.17Å; S703-K706 WeakPolarHBondContact O-CA 3.09Å; S703-K706 WeakPolarHBondContact O-CB 3.32Å; S703-K706 PolarHBondContact O-N 2.94Å; S703-Y707 PolarHBondContact O-N 3.3Å; S703-Y707 VanDerWaalsContact O-N 3.09Å
704M50.7Low49.7Very low102 Ų102114.1 Ų114.150%0.50259%0.588SS.*Hα-helixtrans-52.9-38.5-178.6-166.268.2-127.200112.2F702 K706 Y707 L708F702-M704 HydrophobicContact CE1-SD 4.39Å; M704-K706 VanDerWaalsContact C-N 3.33Å; M704-K706 PolarHBondContact O-N 3.09Å; M704-Y707 HydrophobicContact CE-CD1 3.41Å; M704-Y707 VanDerWaalsContact CE-CD1 3.41Å; M704-Y707 HydrophobicContact CE-CE1 4.07Å; M704-Y707 HydrophobicContact CE-CG 4.26Å; M704-Y707 PolarHBondContact O-N 3.41Å; M704-L708 HydrophobicContact CE-CD1 4.35Å; M704-L708 HydrophobicContact CE-CD2 4.03Å; M704-L708 HydrophobicContact CE-CG 3.88Å; M704-L708 HydrophobicContact CG-CD1 4.45Å; M704-L708 WeakPolarHBondContact O-CG 3.17Å; M704-L708 PolarHBondContact O-N 3.09Å
705K56.7Low51.1Low169 Ų169110.9 Ų110.974%0.73557%0.566SS**Hα-helixtrans-60.7-40.5174.5-77.6-172.7174.8-174.90112.8S703 L708 S709S703-K705 PolarHBondContact O-N 3.47Å; S703-K705 VanDerWaalsContact O-N 3.17Å; K705-L708 PolarHBondContact O-N 3.39Å; K705-S709 PolarHBondContact O-N 3.39Å; K705-S709 PolarHBondContact O-OG 2.6Å; K705-S709 VanDerWaalsContact O-OG 3.12Å
706K71.2Confident52.4Low121 Ų121110 Ų11053%0.52655%0.548SS..Hα-helixtrans-69-37.9178.9-172.4178.1179.2178.50111.4S703 M704 Q710S703-K706 WeakPolarHBondContact O-CA 3.09Å; S703-K706 WeakPolarHBondContact O-CB 3.32Å; S703-K706 PolarHBondContact O-N 2.94Å; M704-K706 VanDerWaalsContact C-N 3.33Å; M704-K706 PolarHBondContact O-N 3.09Å; K706-Q710 WeakPolarHBondContact O-CB 3.34Å; K706-Q710 PolarHBondContact O-N 3.41Å
707Y61.2Low53.4Low89 Ų89111.3 Ų111.335%0.34955%0.547SS..Hα-helixtrans-63.9-45.1174.6177.6-96.3000111.5F702 S703 M704 Q710 L711F702-Y707 AromaticContact CE2-CD2 3.96Å; F702-Y707 HydrophobicContact CE2-CD2 3.96Å; F702-Y707 HydrophobicContact CE2-CG 4.11Å; F702-Y707 HydrophobicContact CZ-CD2 4.25Å; F702-Y707 HydrophobicContact CZ-CG 4.05Å; S703-Y707 PolarHBondContact O-N 3.3Å; S703-Y707 VanDerWaalsContact O-N 3.09Å; M704-Y707 HydrophobicContact CE-CD1 3.41Å; M704-Y707 VanDerWaalsContact CE-CD1 3.41Å; M704-Y707 HydrophobicContact CE-CE1 4.07Å; M704-Y707 HydrophobicContact CE-CG 4.26Å; M704-Y707 PolarHBondContact O-N 3.41Å; Y707-Q710 PolarHBondContact O-N 3.34Å; Y707-L711 HydrophobicContact CD1-CD1 3.81Å; Y707-L711 HydrophobicContact CE1-CD1 3.2Å; Y707-L711 HydrophobicContact CE1-CG 4.09Å; Y707-L711 PolarHBondContact O-N 3.47Å
708L50.7Low54.1Low86 Ų86103.3 Ų103.345%0.4551%0.513SS..Hα-helixtrans-65.3-45.8177.3-68.8173.1000112.2M704 K705 Q710 L711 E712M704-L708 HydrophobicContact CE-CD1 4.35Å; M704-L708 HydrophobicContact CE-CD2 4.03Å; M704-L708 HydrophobicContact CE-CG 3.88Å; M704-L708 HydrophobicContact CG-CD1 4.45Å; M704-L708 WeakPolarHBondContact O-CG 3.17Å; M704-L708 PolarHBondContact O-N 3.09Å; K705-L708 PolarHBondContact O-N 3.39Å; L708-Q710 VanDerWaalsContact C-N 3.26Å; L708-Q710 PolarHBondContact O-N 3.08Å; L708-L711 WeakPolarHBondContact O-CB 3.26Å; L708-L711 PolarHBondContact O-N 3.08Å; L708-L711 VanDerWaalsContact O-N 3.17Å; L708-E712 WeakPolarHBondContact O-CG 3.06Å; L708-E712 PolarHBondContact O-N 3.14Å
709S66.5Low54.3Low61 Ų61102.8 Ų102.843%0.42751%0.512SS..Hα-helixtrans-62.6-34.6175.1-61.40000112.6K705 E712 D713K705-S709 PolarHBondContact O-N 3.39Å; K705-S709 PolarHBondContact O-OG 2.6Å; K705-S709 VanDerWaalsContact O-OG 3.12Å; S709-E712 PolarHBondContact O-N 3.31Å; S709-D713 WeakPolarHBondContact O-CB 3.24Å; S709-D713 PolarHBondContact O-N 3.23Å
710Q65.4Low54.9Low100 Ų10097 Ų9747%0.46749%0.493SS..Hα-helixtrans-69.6-39.5175.2-177.8167.2-4.500111.6K706 Y707 L708 D713 E714K706-Q710 WeakPolarHBondContact O-CB 3.34Å; K706-Q710 PolarHBondContact O-N 3.41Å; Y707-Q710 PolarHBondContact O-N 3.34Å; L708-Q710 VanDerWaalsContact C-N 3.26Å; L708-Q710 PolarHBondContact O-N 3.08Å; Q710-D713 PolarHBondContact O-N 2.91Å; Q710-E714 HydrophobicContact CG-CG 4.45Å; Q710-E714 WeakPolarHBondContact CG-OE1 3.34Å; Q710-E714 PolarHBondContact NE2-OE1 3.2Å; Q710-E714 VanDerWaalsContact O-CB 3.3Å; Q710-E714 WeakPolarHBondContact O-CB 3.47Å; Q710-E714 VanDerWaalsContact O-CG 3.22Å; Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 3.14Å
711L53.8Low54.7Low39 Ų3990.9 Ų90.920%0.20447%0.468CS..Hα-helixtrans-62.2-43.3171.7-90174000112.2Y707 L708 E714 L715Y707-L711 HydrophobicContact CD1-CD1 3.81Å; Y707-L711 HydrophobicContact CE1-CD1 3.2Å; Y707-L711 HydrophobicContact CE1-CG 4.09Å; Y707-L711 PolarHBondContact O-N 3.47Å; L708-L711 WeakPolarHBondContact O-CB 3.26Å; L708-L711 PolarHBondContact O-N 3.08Å; L708-L711 VanDerWaalsContact O-N 3.17Å; L711-E714 PolarHBondContact O-N 3.5Å; L711-L715 VanDerWaalsContact O-CB 3.31Å; L711-L715 WeakPolarHBondContact O-CB 3.39Å; L711-L715 VanDerWaalsContact O-CG 3.23Å; L711-L715 WeakPolarHBondContact O-CG 3Å; L711-L715 PolarHBondContact O-N 3.37Å
712E62.4Low54.6Low108 Ų10888.5 Ų88.551%0.50545%0.449SS..Hα-helixtrans-62.1-44.6175.8-74.8177.1158.300111.7L708 S709 K716L708-E712 WeakPolarHBondContact O-CG 3.06Å; L708-E712 PolarHBondContact O-N 3.14Å; S709-E712 PolarHBondContact O-N 3.31Å; E712-K716 PolarHBondContact O-N 3.09Å; E712-K716 VanDerWaalsContact O-N 3.14Å
713D65.5Low53.7Low109 Ų10983.9 Ų83.958%0.58345%0.446SS*.Hα-helixtrans-65.7-36.1176.8-80.2-27000112.4S709 Q710 K716S709-D713 WeakPolarHBondContact O-CB 3.24Å; S709-D713 PolarHBondContact O-N 3.23Å; Q710-D713 PolarHBondContact O-N 2.91Å; D713-K716 WeakPolarHBondContact O-CB 3.4Å
714E62Low52.6Low60 Ų6085.8 Ų85.828%0.2844%0.444SS..Hα-helixtrans-70-44.9176.5-77.8168.9-165.700111.3R297 Q710 L711 K716 N717R297-E714 IonicContact NH2-OE2 3.35Å; R297-E714 PolarHBondContact NH2-OE2 3.04Å; Q710-E714 HydrophobicContact CG-CG 4.45Å; Q710-E714 WeakPolarHBondContact CG-OE1 3.34Å; Q710-E714 PolarHBondContact NE2-OE1 3.2Å; Q710-E714 VanDerWaalsContact O-CB 3.3Å; Q710-E714 WeakPolarHBondContact O-CB 3.47Å; Q710-E714 VanDerWaalsContact O-CG 3.22Å; Q710-E714 WeakPolarHBondContact O-CG 3.34Å; Q710-E714 PolarHBondContact O-N 3.14Å; L711-E714 PolarHBondContact O-N 3.5Å; E714-K716 VanDerWaalsContact C-N 3.25Å; E714-K716 PolarHBondContact O-N 3.16Å; E714-N717 PolarHBondContact O-N 3.37Å
715L51.3Low51.9Low61 Ų6185.8 Ų85.832%0.31944%0.441SS..Hα-helixtrans-68.1-23179.4-74170000113.2A294 L711 N717 E718 N721A294-L715 HydrophobicContact CB-CD2 3.77Å; L711-L715 VanDerWaalsContact O-CB 3.31Å; L711-L715 WeakPolarHBondContact O-CB 3.39Å; L711-L715 VanDerWaalsContact O-CG 3.23Å; L711-L715 WeakPolarHBondContact O-CG 3Å; L711-L715 PolarHBondContact O-N 3.37Å; L715-N717 PolarHBondContact O-N 2.82Å; L715-E718 PolarHBondContact O-N 3.1Å; L715-N721 VanDerWaalsContact O-CB 3.29Å; L715-N721 WeakPolarHBondContact O-CB 3.49Å
716K57.4Low50.7Low87 Ų8784.5 Ų84.538%0.37844%0.441SS..THydrogen-bonded Turntrans-59.4-28.7178.9-173.3177.4179.4178.30114E712 D713 E714 F725E712-K716 PolarHBondContact O-N 3.09Å; E712-K716 VanDerWaalsContact O-N 3.14Å; D713-K716 WeakPolarHBondContact O-CB 3.4Å; E714-K716 VanDerWaalsContact C-N 3.25Å; E714-K716 PolarHBondContact O-N 3.16Å; K716-F725 HydrophobicContact CD-CD2 4.08Å; K716-F725 HydrophobicContact CD-CE1 4.47Å; K716-F725 HydrophobicContact CD-CE2 3.79Å; K716-F725 HydrophobicContact CD-CZ 4.01Å; K716-F725 VanDerWaalsContact CE-CZ 3.5Å; K716-F725 HydrophobicContact CG-CD2 3.91Å; K716-F725 HydrophobicContact CG-CE2 4.14Å; K716-F725 HydrophobicContact CG-CG 4.25Å
717N51.2Low48.9Very low134 Ų13482.4 Ų82.472%0.71744%0.44SS*.THydrogen-bonded Turntrans-100.9-0.8-174.7-60.1-33.6000113.4E714 L715E714-N717 PolarHBondContact O-N 3.37Å; L715-N717 PolarHBondContact O-N 2.82Å
718E50.5Low47.5Very low29 Ų2983 Ų8314%0.13645%0.452CS..SBendtrans-80134.4177.9-79.8-85.4-170.300110.8L293 L715 V720 N721 V722L293-E718 WeakPolarHBondContact CD1-OE1 3.35Å; L293-E718 WeakPolarHBondContact CG-OE1 3.49Å; L715-E718 PolarHBondContact O-N 3.1Å; E718-V720 PolarHBondContact O-N 2.86Å; E718-N721 PolarHBondContact O-N 3.41Å; E718-V722 VanDerWaalsContact O-CG2 3.28Å; E718-V722 WeakPolarHBondContact O-CG2 3.39Å; E718-V722 PolarHBondContact O-N 3.41Å
719P39.5Very low46.4Very low109 Ų10987 Ų8771%0.70847%0.471SS*.THydrogen-bonded Turntrans-54.5-28.4178.820.7-33000113.3N721P719-N721 VanDerWaalsContact C-N 3.27Å; P719-N721 PolarHBondContact O-N 2.93Å
720V47.2Very low44.7Very low75 Ų7592.3 Ų92.346%0.45549%0.489SS..THydrogen-bonded Turntrans-66.2-25.2177.6-177.20000112.6E718E718-V720 PolarHBondContact O-N 2.86Å
721N36.4Very low42.8Very low47 Ų4797 Ų9725%0.25151%0.507SS..THydrogen-bonded Turntrans-116.4-4.7-172.6-87.4-37.3000115.4L715 E718 P719 G723 R724L715-N721 VanDerWaalsContact O-CB 3.29Å; L715-N721 WeakPolarHBondContact O-CB 3.49Å; E718-N721 PolarHBondContact O-N 3.41Å; P719-N721 VanDerWaalsContact C-N 3.27Å; P719-N721 PolarHBondContact O-N 2.93Å; N721-G723 PolarHBondContact O-N 2.96Å; N721-G723 VanDerWaalsContact O-N 3.09Å; N721-R724 PolarHBondContact O-N 3.33Å
722V38.4Very low41.5Very low57 Ų57100.2 Ų100.235%0.34553%0.533SS..G310 helixtrans-57.8-29.2-178.1-171.80000112.2E718 R724E718-V722 VanDerWaalsContact O-CG2 3.28Å; E718-V722 WeakPolarHBondContact O-CG2 3.39Å; E718-V722 PolarHBondContact O-N 3.41Å; V722-R724 VanDerWaalsContact C-N 3.32Å; V722-R724 PolarHBondContact O-N 2.84Å
723G33.2Very low39.9Very low59 Ų59100.4 Ų100.461%0.60855%0.547SS*.G310 helixtrans-72.4-13.6177.200000115.9N721N721-G723 PolarHBondContact O-N 2.96Å; N721-G723 VanDerWaalsContact O-N 3.09Å
724R34.3Very low38Very low99 Ų99102.9 Ų102.937%0.37456%0.558SS.*G310 helixtrans-111.3-5.8-170.8-75-174.4171.7-175-2.5115.4S447 F450 N721 V722 I726S447-R724 PolarHBondContact O-NH2 3.2Å; F450-R724 PolarHBondContact O-NH2 3.4Å; N721-R724 PolarHBondContact O-N 3.33Å; V722-R724 VanDerWaalsContact C-N 3.32Å; V722-R724 PolarHBondContact O-N 2.84Å; R724-I726 PolarHBondContact O-N 3.45Å
725F34.9Very low36.4Very low103 Ų103108.4 Ų108.445%0.45258%0.584SS.*  trans-79.3107.8-176.4-170.4-93.9000112.4K716 P727K716-F725 HydrophobicContact CD-CD2 4.08Å; K716-F725 HydrophobicContact CD-CE1 4.47Å; K716-F725 HydrophobicContact CD-CE2 3.79Å; K716-F725 HydrophobicContact CD-CZ 4.01Å; K716-F725 VanDerWaalsContact CE-CZ 3.5Å; K716-F725 HydrophobicContact CG-CD2 3.91Å; K716-F725 HydrophobicContact CG-CE2 4.14Å; K716-F725 HydrophobicContact CG-CG 4.25Å; F725-P727 HydrophobicContact CD1-CG 4.22Å; F725-P727 HydrophobicContact CE1-CB 4.05Å; F725-P727 HydrophobicContact CE1-CG 4.03Å
726I32.7Very low35Very low141 Ų141109 Ų10972%0.72361%0.605SS**  trans-95.6115.7167.6-56.9174.4000108.3R724 T728R724-I726 PolarHBondContact O-N 3.45Å; I726-T728 PolarHBondContact O-N 3.4Å
727P32.6Very low33.5Very low78 Ų78114.7 Ų114.751%0.50663%0.63SS.*  trans-63.7120.6178.3-15.227.3000110.9F725 M729F725-P727 HydrophobicContact CD1-CG 4.22Å; F725-P727 HydrophobicContact CE1-CB 4.05Å; F725-P727 HydrophobicContact CE1-CG 4.03Å; P727-M729 PolarHBondContact O-N 2.78Å
728T30.8Very low32.2Very low100 Ų100114 Ų11461%0.61364%0.635SS**  trans-70.1100.3168.448.70000109I726 H730I726-T728 PolarHBondContact O-N 3.4Å; T728-H730 VanDerWaalsContact C-N 3.29Å; T728-H730 PolarHBondContact O-N 2.54Å
729M29Very low31.1Very low171 Ų171117.7 Ų117.784%0.84267%0.665SS**  trans-64.290.7167.7-80.3-81136.100108.8P727 K731P727-M729 PolarHBondContact O-N 2.78Å; M729-K731 PolarHBondContact O-N 2.79Å
730H30.7Very low30.4Very low173 Ų173121 Ų12180%0.80167%0.668SS**  trans-62.2103169.9-89.8-74.3000109.3T728 S732T728-H730 VanDerWaalsContact C-N 3.29Å; T728-H730 PolarHBondContact O-N 2.54Å; H730-S732 PolarHBondContact O-N 3.31Å; H730-S732 VanDerWaalsContact O-N 3.09Å
731K25.4Very low29.4Very low197 Ų197126.8 Ų126.886%0.85768%0.683SS**  trans-54.8111.9165.3-78.4179.3176.4175.10109.4M729M729-K731 PolarHBondContact O-N 2.79Å
732S26Very low28.8Very low107 Ų107133.1 Ų133.175%0.74871%0.708SS**  trans27.8118.8147.761.30000118.5H730H730-S732 PolarHBondContact O-N 3.31Å; H730-S732 VanDerWaalsContact O-N 3.09Å
733S28.6Very low28Very low113 Ų113135 Ų13579%0.7973%0.729SS**  trans-146.7104.3133-169.40000110.7H735S733-H735 PolarHBondContact O-N 3.11Å
734I25.8Very low27.7Very low160 Ų160141.4 Ų141.482%0.82174%0.74SS**  trans-63.5103.3166.2-65.2161.4000106.9
735H28Very low27.2Very low177 Ų177143.2 Ų143.282%0.81976%0.757SS**  trans-144.992.1155.9-10622.6000110S733S733-H735 PolarHBondContact O-N 3.11Å
736G22.8Very low26.9Very low74 Ų74144.8 Ų144.876%0.76377%0.769SS**  trans-67.3127.3169.600000111
737K26.3Very low26.4Very low205 Ų205146.8 Ų146.889%0.89177%0.773SS**  trans-135.1110.1149.5-74.6-170.9-179.9173.90108.9
738S22.6Very low26.1Very low120 Ų120151 Ų15184%0.83979%0.791SS**  trans-69.5134.9173.754.10000112.5
739S27.9Very low25.7Very low107 Ų107150.3 Ų150.375%0.74880%0.795SS**  trans-167.493.7149.7178.10000109.2
740K26Very low25.6Very low178 Ų178152 Ų15277%0.77480%0.798SS**  55.8105.8104.8-66.1-177.6-179.3175.10114.9
741Y25Very low25.2Very low197 Ų197153.3 Ų153.377%0.77380%0.802SS**  173.6130.8101.8-104.7-84.9000114.2
742K24.7Very low25.2Very low180 Ų180149.9 Ų149.978%0.78380%0.8SS**  trans58.7113.9152.5-81166.8-179.7179.10119.7
743A20.9Very low25Very low95 Ų95156.6 Ų156.679%0.78581%0.808SS**  cis77.2104.84700000115.9
744K26.3Very low24.9Very low195 Ų195154.5 Ų154.585%0.84880%0.804SS**  trans175.4131.4150.8-99.5-178.9179.9-177.50105
745L24.6Very low24.8Very low136 Ų136155.1 Ų155.171%0.71281%0.809SS**  cis-161139.323.3-91.5137.8000110.2
746L27.6Very low24.8Very low137 Ų137154.1 Ų154.172%0.71781%0.808SS**  trans59104.4140.7-49.1175.8000120.4
747F23.3Very low25Very low182 Ų182156.3 Ų156.380%0.79881%0.809SS**  72.8102.292.7-83.5-76.2000115.6
748N26.6Very low24.9Very low167 Ų167154.8 Ų154.889%0.89381%0.81SS**  -159.2114.4106.9-105.8-18.2000111.8
749A22.6Very low25Very low85 Ų85153.9 Ų153.970%0.70281%0.81SS**  trans-87.9128.7172.300000109.5
750K26.1Very low24.9Very low208 Ų208157.2 Ų157.290%0.90481%0.814SS**  trans-133.8106.6146-79.5-170.3177.61790108.2
751K21.8Very low25Very low200 Ų200154.2 Ų154.287%0.8781%0.812SS**  trans-78.7139.1158.8-72.6178.2175.5178.50107.9
752P25.1Very low25.2Very low125 Ų125153.7 Ų153.781%0.81282%0.817SS**  trans-115.9128.2140.621.1-4.2000109.7
753R22.1Very low25.2Very low248 Ų248151.9 Ų151.994%0.93682%0.816SS**  trans-79.1146157.7-76.5174.7168.3150.4-6.5107.5
754G26.5Very low25.5Very low68 Ų68155.3 Ų155.370%0.70182%0.819SS**  trans157.5101.2163.400000112.4I756G754-I756 PolarHBondContact O-N 3.14Å
755N24.4Very low25.2Very low173 Ų173152.8 Ų152.893%0.92582%0.815SS**  trans-57.2124.5162.2-71.8-12.8000109.3
756I27.9Very low25.3Very low156 Ų156153.5 Ų153.580%0.882%0.818SS**  trans-134.8130.3157.7-58.5178.2000107G754G754-I756 PolarHBondContact O-N 3.14Å
757P27.2Very low25.1Very low121 Ų121151.9 Ų151.979%0.78682%0.817SS**PPolyproline II helixtrans-71.9151.2-170.4-10.927.6000113.2A759P757-A759 PolarHBondContact O-N 3.41Å
758L24.6Very low25.3Very low173 Ų173152.8 Ų152.891%0.90682%0.824SS**PPolyproline II helixtrans-58.5129.4169.1-99.779.5000110
759A24.1Very low25.3Very low101 Ų101151.3 Ų151.384%0.83582%0.815SS**PPolyproline II helixtrans-74.2129.1169.600000109.8P757P757-A759 PolarHBondContact O-N 3.41Å
760E25.5Very low25.5Very low177 Ų177154 Ų15483%0.82782%0.816SS**PPolyproline II helixtrans-70.7148.2171.1-67.8-173162.200110.7
761P29.2Very low25.5Very low114 Ų114149.4 Ų149.474%0.7481%0.806SS**PPolyproline II helixtrans-73.3127-175.628.6-32.1000111.4D763P761-D763 PolarHBondContact O-N 3.31Å
762E28.5Very low25.7Very low187 Ų187146.1 Ų146.187%0.87480%0.798SS**PPolyproline II helixtrans-69.5119.1169.9-68.8-179.4167.900110I764E762-I764 PolarHBondContact O-N 3.21Å
763D25.2Very low25.9Very low142 Ų142148 Ų14876%0.75980%0.796SS**  trans-62.3110.8176-68.6-48.8000111.8P761 N765P761-D763 PolarHBondContact O-N 3.31Å; D763-N765 PolarHBondContact O-N 3.28Å
764I25.7Very low25.9Very low167 Ų167145.1 Ų145.186%0.85679%0.793SS**  trans-8889.1162.1-59.2179000108.1E762E762-I764 PolarHBondContact O-N 3.21Å
765N21.6Very low26Very low142 Ų142147.1 Ų147.176%0.75980%0.796SS**  trans-72.1115.1163.4-101.8-48.3000110.4D763D763-N765 PolarHBondContact O-N 3.28Å
766I26Very low26Very low151 Ų151145.7 Ų145.777%0.77479%0.788SS**  trans-151.2103.2146.4-57.6-171.4000111
767C23.7Very low26Very low103 Ų103149 Ų14970%0.69679%0.792SS**  trans65100.5142.5-57.30000121.4
768Q26.3Very low25.6Very low201 Ų201148.2 Ų148.294%0.93979%0.79SS**  trans-110118.3137.6-90.3173-22.700108.8
769D27.7Very low25.6Very low135 Ų135149.1 Ų149.172%0.72279%0.787SS**  trans-82.3118.6177.1-82.7-37.4000111.4
770I26.3Very low25.4Very low141 Ų141151.9 Ų151.972%0.72378%0.783SS**  trans68.2137.5130.3-44.7173.4000119
771V27Very low25.4Very low113 Ų113147.8 Ų147.869%0.68577%0.773SS**  trans94.3112.4160-166.40000112.4
772D25.2Very low25Very low131 Ų131150.2 Ų150.270%0.70178%0.775SS**  cis-170.5164.519.2-106.3-14.8000111.1
773Q28.4Very low24.7Very low164 Ų164149.7 Ų149.777%0.76677%0.772SS**  trans80.598.4158.3-70.8159.431.600117.8
774E22.6Very low24.7Very low187 Ų187148.4 Ų148.487%0.87478%0.775SS**  86.313374.3-84.2-169.417000114.8
775S29.6Very low24.6Very low111 Ų111146.5 Ų146.578%0.77678%0.776SS**  trans97.485.8166700000119.5
776D23.3Very low24.5Very low142 Ų142145.3 Ų145.376%0.75978%0.779SS**  26.2116.8116.9-56.5-22.7000119.2
777Y27.2Very low24.4Very low225 Ų225143.4 Ų143.488%0.88278%0.779SS**  173.7130.498.7-106.8-86.6000110.9
778S20.6Very low24.3Very low105 Ų105143.8 Ų143.873%0.73478%0.783SS**  trans-67.5144.3172.6-42.60000112.6
779F24.1Very low24.3Very low193 Ų193141.6 Ų141.685%0.84678%0.778SS**  -170.7150.6110.3-134.6-99.1000111.9
780E20.3Very low24.3Very low158 Ų158140.7 Ų140.774%0.73878%0.782SS**  trans-73.7172-171.8-59.4172.7141.200114.6
781S23.8Very low24.4Very low91 Ų91141.1 Ų141.164%0.63678%0.784SS**  trans106.5114.5137.769.10000118.5
782E21.6Very low24.6Very low165 Ų165141 Ų14177%0.77178%0.784SS**  79.1105128.1-68.5-179.8-171.700117.6
783E21.6Very low24.9Very low176 Ų176143.6 Ų143.682%0.82279%0.792SS**  72100.799.4-73.7-167.8169.500113.1
784S25.3Very low25.2Very low116 Ų116140.3 Ų140.381%0.81178%0.782SS**  170.8101.3111.842.50000108.8S786S784-S786 PolarHBondContact O-N 2.68Å
785S23.7Very low26.3Very low127 Ų127135.6 Ų135.689%0.88877%0.77SS**  trans-63.5109170.849.80000110.9
786S19.9Very low27Very low116 Ų116136 Ų13681%0.81176%0.764SS**  trans-126.890.4152.966.40000108.7S784S784-S786 PolarHBondContact O-N 2.68Å
787S24.4Very low28.6Very low112 Ų112131.8 Ų131.878%0.78375%0.746SS**  trans-163112.7159.556.40000111
788S22.2Very low29.6Very low111 Ų111128 Ų12878%0.77674%0.736SS**  trans-48.6131.9152-46.60000111.1
789N24.9Very low31.2Very low155 Ų155128.4 Ų128.483%0.82973%0.729SS**  trans167.182.2138.8-84.9-12.6000108.6I791N789-I791 PolarHBondContact O-N 2.98Å
790S29.1Very low32.8Very low115 Ų115124.5 Ų124.580%0.80472%0.717SS**  trans-80.595.6164.762.10000108.2V792S790-V792 PolarHBondContact O-N 3.41Å
791I28.1Very low34.5Very low151 Ų151122.4 Ų122.477%0.77471%0.707SS**  trans-62.1126161.6-73.3169000106.9N789 E793N789-I791 PolarHBondContact O-N 2.98Å; I791-E793 PolarHBondContact O-N 3.08Å
792V31.3Very low35.9Very low111 Ų111123.7 Ų123.767%0.67370%0.699SS**  trans-75.899.4177174.50000107.3S790 T794S790-V792 PolarHBondContact O-N 3.41Å; V792-T794 HydrophobicContact CG1-CG2 3.57Å; V792-T794 PolarHBondContact O-N 3.25Å
793E31.4Very low37.8Very low185 Ų185118.4 Ų118.486%0.86468%0.678SS**  trans-79.797.2160.7-78.1179.5167.200108I791I791-E793 PolarHBondContact O-N 3.08Å
794T33.9Very low39.7Very low94 Ų94112.3 Ų112.358%0.57766%0.657SS**  trans-134.279.9169.1570000108.5V792V792-T794 HydrophobicContact CG1-CG2 3.57Å; V792-T794 PolarHBondContact O-N 3.25Å
795S46.7Very low41.1Very low88 Ų88115.1 Ų115.162%0.61565%0.65SS**SBendtrans-126.6-29.6165.156.40000112.3
796D44.7Very low42.4Very low121 Ų121111 Ų11165%0.64762%0.618SS**Hα-helixtrans-89.4-25.2-172.6-63.3-1.4000112.5E798 D800D796-E798 PolarHBondContact O-N 3.06Å; D796-D800 PolarHBondContact O-N 3.36Å
797S54.9Low43.9Very low53 Ų53105.7 Ų105.737%0.37158%0.581SS.*Hα-helixtrans-70.7-26.2-177.364.90000114.7Q801S797-Q801 WeakPolarHBondContact O-CB 3.34Å; S797-Q801 WeakPolarHBondContact O-CG 2.92Å; S797-Q801 PolarHBondContact O-N 3.39Å
798E49.8Very low45.3Very low146 Ų146102.7 Ų102.768%0.68256%0.562SS**Hα-helixtrans-76.6-40.5-179.4-78.5-168.6157.700111.8D796 Q801 Y802D796-E798 PolarHBondContact O-N 3.06Å; E798-Q801 PolarHBondContact O-N 2.97Å; E798-Y802 WeakPolarHBondContact O-CB 3.47Å; E798-Y802 PolarHBondContact O-N 3.19Å
799L52.8Low46.6Very low113 Ų113101.9 Ų101.959%0.59255%0.553SS**Hα-helixtrans-64.8-44176.6-173.564.7000110.7Q801 Y802 V803L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.45Å; L799-Y802 WeakPolarHBondContact O-CB 3.5Å; L799-Y802 PolarHBondContact O-N 3.17Å; L799-Y802 VanDerWaalsContact O-N 3.17Å; L799-V803 HydrophobicContact CD1-CG2 4.5Å; L799-V803 WeakPolarHBondContact O-CG2 3.38Å; L799-V803 PolarHBondContact O-N 3.42Å
800D58.4Low47.7Very low111 Ų11196.8 Ų96.859%0.59453%0.529SS*.Hα-helixtrans-59.8-42.5175.7-75-18.8000112D796 A804D796-D800 PolarHBondContact O-N 3.36Å; D800-A804 VanDerWaalsContact O-CB 3.25Å; D800-A804 WeakPolarHBondContact O-CB 3.45Å; D800-A804 PolarHBondContact O-N 2.98Å
801Q55.8Low48.3Very low114 Ų11495.7 Ų95.753%0.53351%0.513SS..Hα-helixtrans-66.7-37.4175.9-76.7177.434.600112.6S797 E798 L799 R805S797-Q801 WeakPolarHBondContact O-CB 3.34Å; S797-Q801 WeakPolarHBondContact O-CG 2.92Å; S797-Q801 PolarHBondContact O-N 3.39Å; E798-Q801 PolarHBondContact O-N 2.97Å; L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.45Å; Q801-R805 WeakPolarHBondContact O-CB 3.45Å; Q801-R805 PolarHBondContact O-N 2.89Å
802Y53.4Low48.9Very low118 Ų11896.7 Ų96.746%0.46351%0.514SS..Hα-helixtrans-66.7-46.3177.5-179-96.2000111.5E798 L799 R805 N806E798-Y802 WeakPolarHBondContact O-CB 3.47Å; E798-Y802 PolarHBondContact O-N 3.19Å; L799-Y802 WeakPolarHBondContact O-CB 3.5Å; L799-Y802 PolarHBondContact O-N 3.17Å; L799-Y802 VanDerWaalsContact O-N 3.17Å; Y802-R805 PolarHBondContact O-N 2.87Å; Y802-N806 WeakPolarHBondContact CD1-ND2 3.47Å; Y802-N806 WeakPolarHBondContact CE1-ND2 3.13Å; Y802-N806 PolarHBondContact O-N 3.38Å; Y802-N806 VanDerWaalsContact O-N 3.09Å; Y802-N806 PolarHBondContact O-ND2 3.03Å
803V60.6Low49.4Very low54 Ų5499.2 Ų99.233%0.32752%0.524SS..Hα-helixtrans-63.4-44.1176.3174.60000110.6L799 R805 N806 L807 L830L799-V803 HydrophobicContact CD1-CG2 4.5Å; L799-V803 WeakPolarHBondContact O-CG2 3.38Å; L799-V803 PolarHBondContact O-N 3.42Å; V803-R805 PolarHBondContact O-N 3.22Å; V803-N806 PolarHBondContact O-N 2.8Å; V803-L807 HydrophobicContact CG1-CD1 3.99Å; V803-L807 WeakPolarHBondContact O-CB 3.29Å; V803-L807 PolarHBondContact O-N 3.32Å; V803-L830 HydrophobicContact CG1-CD1 4.49Å
804A61.7Low49.6Very low47 Ų4795.7 Ų95.739%0.38851%0.507SS..Hα-helixtrans-63.1-39.4178.200000112.9D800 A808D800-A804 VanDerWaalsContact O-CB 3.25Å; D800-A804 WeakPolarHBondContact O-CB 3.45Å; D800-A804 PolarHBondContact O-N 2.98Å; A804-A808 WeakPolarHBondContact O-CB 3Å; A804-A808 PolarHBondContact O-N 2.67Å
805R55.9Low49.7Very low176 Ų17696.4 Ų96.466%0.66452%0.516SS*.Hα-helixtrans-63.8-48.3174.9-95.1-169.3177.2112.4-0.1112.1Q801 Y802 V803 L807 A808 V809Q801-R805 WeakPolarHBondContact O-CB 3.45Å; Q801-R805 PolarHBondContact O-N 2.89Å; Y802-R805 PolarHBondContact O-N 2.87Å; V803-R805 PolarHBondContact O-N 3.22Å; R805-L807 VanDerWaalsContact C-N 3.29Å; R805-L807 PolarHBondContact O-N 3.07Å; R805-A808 PolarHBondContact O-N 2.94Å; R805-A808 VanDerWaalsContact O-N 3.13Å; R805-V809 WeakPolarHBondContact O-CG2 3.33Å; R805-V809 PolarHBondContact O-N 3.03Å
806N50.2Low49.1Very low41 Ų4199 Ų9922%0.21952%0.523CS..Hα-helixtrans-64.6-34.6-179.1-75.3-49.1000112.3Y802 V803 S810Y802-N806 WeakPolarHBondContact CD1-ND2 3.47Å; Y802-N806 WeakPolarHBondContact CE1-ND2 3.13Å; Y802-N806 PolarHBondContact O-N 3.38Å; Y802-N806 VanDerWaalsContact O-N 3.09Å; Y802-N806 PolarHBondContact O-ND2 3.03Å; V803-N806 PolarHBondContact O-N 2.8Å; N806-S810 PolarHBondContact O-N 3.37Å; N806-S810 PolarHBondContact O-OG 3.33Å
807L52.8Low48.5Very low4 Ų4100.9 Ų100.92%0.02153%0.528CS..Hα-helixtrans-66.8-41.8171.2-80.7166.5000112.3V803 R805 S810 L830 F841V803-L807 HydrophobicContact CG1-CD1 3.99Å; V803-L807 WeakPolarHBondContact O-CB 3.29Å; V803-L807 PolarHBondContact O-N 3.32Å; R805-L807 VanDerWaalsContact C-N 3.29Å; R805-L807 PolarHBondContact O-N 3.07Å; L807-S810 WeakPolarHBondContact O-CB 3.39Å; L807-S810 PolarHBondContact O-N 3.09Å; L807-L830 HydrophobicContact CD1-CD1 4.07Å; L807-L830 HydrophobicContact CD2-CD1 4.25Å; L807-L830 HydrophobicContact CG-CD1 4.44Å; L807-F841 HydrophobicContact CB-CE2 4.29Å
808A52.3Low47.6Very low48 Ų48106.1 Ų106.140%0.39755%0.55SS..Hα-helixtrans-67.2-40179.800000113A804 R805 S810 M811 E812A804-A808 WeakPolarHBondContact O-CB 3Å; A804-A808 PolarHBondContact O-N 2.67Å; R805-A808 PolarHBondContact O-N 2.94Å; R805-A808 VanDerWaalsContact O-N 3.13Å; A808-S810 PolarHBondContact O-N 3.43Å; A808-M811 PolarHBondContact O-N 3.14Å; A808-E812 PolarHBondContact O-N 2.91Å
809V50.1Low47Very low95 Ų95108.1 Ų108.158%0.57656%0.559SS**Hα-helixtrans-62.8-31.6175.1173.50000111.1R805 M811R805-V809 WeakPolarHBondContact O-CG2 3.33Å; R805-V809 PolarHBondContact O-N 3.03Å; V809-M811 PolarHBondContact O-N 3.19Å
810S47.8Very low46.4Very low47 Ų47107.2 Ų107.233%0.32955%0.554SS.*THydrogen-bonded Turntrans-70.5-6.6174-55.60000113.7N806 L807 A808N806-S810 PolarHBondContact O-N 3.37Å; N806-S810 PolarHBondContact O-OG 3.33Å; L807-S810 WeakPolarHBondContact O-CB 3.39Å; L807-S810 PolarHBondContact O-N 3.09Å; A808-S810 PolarHBondContact O-N 3.43Å
811M41.6Very low45.9Very low93 Ų93109.8 Ų109.846%0.45856%0.562SS.*THydrogen-bonded Turntrans-114-11.3-176.8-65.1-15378.600115.3A808 V809 D813A808-M811 PolarHBondContact O-N 3.14Å; V809-M811 PolarHBondContact O-N 3.19Å; M811-D813 PolarHBondContact O-N 3.35Å
812E39.7Very low45.8Very low172 Ų172106.2 Ų106.280%0.80455%0.549SS*.THydrogen-bonded Turntrans-71.3-5.7-168.5-142.8169-164.500114.3A808A808-E812 PolarHBondContact O-N 2.91Å
813D41.9Very low45.7Very low164 Ų164104.8 Ų104.888%0.87755%0.553SS**THydrogen-bonded Turntrans-111.835.4179.5-96.4-16.3000114.8M811M811-D813 PolarHBondContact O-N 3.35Å
814Q35.9Very low46.1Very low111 Ų111103 Ų10352%0.51955%0.545SS..  trans-139.663.7168.5-66.1-165.55.500112.8N816Q814-N816 PolarHBondContact O-N 3.13Å
815S36.2Very low46.1Very low109 Ų109106 Ų10676%0.76256%0.561SS**  trans-70119.7162.464.50000109.4
816N34.7Very low46.4Very low142 Ų14299.3 Ų99.376%0.75954%0.543SS*.SBendtrans87.282.8-177.7-47.8-39.5000115.2Q814Q814-N816 PolarHBondContact O-N 3.13Å
817H31.2Very low47.3Very low161 Ų16197.4 Ų97.475%0.74553%0.533SS*.  179.5128.7127.8-92.5-68.3000108.6H819 L820H817-H819 PolarHBondContact O-N 2.95Å; H817-L820 HydrophobicContact CB-CD1 3.73Å
818I36.4Very low48Very low163 Ų163102.4 Ų102.484%0.83656%0.56SS**SBendtrans-74124.4-176.5-60.1165.3000107.5
819H37.8Very low48.6Very low188 Ų188104.6 Ų104.687%0.8756%0.564SS**  trans8558.8-176.3-67.6-79.5000118.6H817H817-H819 PolarHBondContact O-N 2.95Å
820L40Very low49.4Very low93 Ų93101.1 Ų101.149%0.48754%0.542SS..  trans-109132.5163.4-80.6130.3000111.9H817H817-L820 HydrophobicContact CB-CD1 3.73Å
821Q47.8Very low50.5Low165 Ų165102.2 Ų102.277%0.77155%0.55SS**  trans-69147.5173.9-68.5-176-1400109.8T823Q821-T823 PolarHBondContact O-N 3.36Å
822P53.2Low51.6Low40 Ų40102.5 Ų102.526%0.2656%0.561SS.*  trans-59.6120.7172.6-21.734.5000109.9A827 I837P822-A827 HydrophobicContact CB-CB 3.99Å; P822-A827 VanDerWaalsContact O-CB 3.23Å; P822-A827 WeakPolarHBondContact O-CB 3.48Å; P822-I837 HydrophobicContact CB-CG2 4.18Å; P822-I837 HydrophobicContact CG-CG2 3.72Å
823T52.1Low53.1Low87 Ų87100.3 Ų100.353%0.53455%0.552SS.*  trans-115.4129.8176.853.20000109.8Q821Q821-T823 PolarHBondContact O-N 3.36Å
824G68.8Low53.7Low17 Ų1795.6 Ų95.618%0.17554%0.542CS..SBendtrans158.9167.218000000111.9A826 A827 N828G824-A826 VanDerWaalsContact C-N 3.28Å; G824-A826 PolarHBondContact O-N 3.2Å; G824-A827 PolarHBondContact O-N 2.77Å; G824-A827 VanDerWaalsContact O-N 3.09Å; G824-N828 PolarHBondContact O-N 2.86Å
825P61.3Low55Low111 Ų11194.4 Ų94.472%0.72154%0.539SS*.Hα-helixtrans-55.6-41.7-177.9-24.333000112.9N828 L829P825-N828 PolarHBondContact O-N 3.15Å; P825-L829 VanDerWaalsContact O-CB 3.3Å; P825-L829 WeakPolarHBondContact O-CB 3.41Å; P825-L829 PolarHBondContact O-N 3.32Å
826A63.2Low55.7Low35 Ų3591.7 Ų91.729%0.28952%0.519SS..Hα-helixtrans-65.6-41.8176.800000112.4G824 L829 L830G824-A826 VanDerWaalsContact C-N 3.28Å; G824-A826 PolarHBondContact O-N 3.2Å; A826-L829 PolarHBondContact O-N 3.07Å; A826-L830 WeakPolarHBondContact O-CG 3.35Å; A826-L830 PolarHBondContact O-N 3.18Å
827A68Low56.8Low0 Ų085.6 Ų85.60%049%0.486CS..Hα-helixtrans-68.1-37.2176.700000112.2P822 G824 L829 S831 I837P822-A827 HydrophobicContact CB-CB 3.99Å; P822-A827 VanDerWaalsContact O-CB 3.23Å; P822-A827 WeakPolarHBondContact O-CB 3.48Å; G824-A827 PolarHBondContact O-N 2.77Å; G824-A827 VanDerWaalsContact O-N 3.09Å; A827-L829 VanDerWaalsContact C-N 3.34Å; A827-S831 VanDerWaalsContact O-CB 3.3Å; A827-S831 WeakPolarHBondContact O-CB 3.25Å; A827-S831 PolarHBondContact O-N 3Å; A827-S831 PolarHBondContact O-OG 3.37Å; A827-I837 HydrophobicContact CB-CD1 4.06Å; A827-I837 WeakPolarHBondContact O-CD1 3.26Å
828N67.8Low58.1Low110 Ų11083.8 Ų83.859%0.58848%0.478SS*.Hα-helixtrans-65.4-38.9174.4-74.5-10.6000111.8G824 P825 S831 S832G824-N828 PolarHBondContact O-N 2.86Å; P825-N828 PolarHBondContact O-N 3.15Å; N828-S831 PolarHBondContact O-N 2.92Å; N828-S832 WeakPolarHBondContact O-CB 3.16Å; N828-S832 PolarHBondContact O-N 3.21Å; N828-S832 PolarHBondContact O-OG 2.93Å
829L65.3Low58.7Low93 Ų9381.8 Ų81.849%0.48747%0.465SS..Hα-helixtrans-71-40.3178.6-165.9146.4000112.1P825 A826 A827 S832 M833P825-L829 VanDerWaalsContact O-CB 3.3Å; P825-L829 WeakPolarHBondContact O-CB 3.41Å; P825-L829 PolarHBondContact O-N 3.32Å; A826-L829 PolarHBondContact O-N 3.07Å; A827-L829 VanDerWaalsContact C-N 3.34Å; L829-S832 WeakPolarHBondContact CA-OG 3.36Å; L829-S832 PolarHBondContact O-N 3.38Å; L829-S832 PolarHBondContact O-OG 3.28Å; L829-M833 HydrophobicContact CD2-CE 3.41Å; L829-M833 VanDerWaalsContact CD2-CE 3.41Å; L829-M833 HydrophobicContact CD2-SD 3.81Å; L829-M833 HydrophobicContact CG-CE 4.32Å; L829-M833 VanDerWaalsContact O-CG 3.29Å; L829-M833 WeakPolarHBondContact O-CG 3.24Å; L829-M833 PolarHBondContact O-N 3.04Å
830L67Low59.3Low23 Ų2376.5 Ų76.512%0.1244%0.442CS..Hα-helixtrans-68.4-35.8173.8-68.9170.3000112.2V803 L807 A826 M833 G834 L835 I837V803-L830 HydrophobicContact CG1-CD1 4.49Å; L807-L830 HydrophobicContact CD1-CD1 4.07Å; L807-L830 HydrophobicContact CD2-CD1 4.25Å; L807-L830 HydrophobicContact CG-CD1 4.44Å; A826-L830 WeakPolarHBondContact O-CG 3.35Å; A826-L830 PolarHBondContact O-N 3.18Å; L830-M833 PolarHBondContact O-N 2.94Å; L830-G834 PolarHBondContact O-N 3.35Å; L830-L835 HydrophobicContact CD2-CD1 3.67Å; L830-L835 PolarHBondContact O-N 2.79Å; L830-L835 VanDerWaalsContact O-N 3.07Å; L830-I837 HydrophobicContact CB-CD1 3.96Å; L830-I837 HydrophobicContact CB-CG1 4.17Å
831S70.4Confident59.4Low70 Ų7077.2 Ų77.249%0.4944%0.441SS..Hα-helixtrans-66.7-40.3173.8-650000111.9A827 N828 M833 G834 I837A827-S831 VanDerWaalsContact O-CB 3.3Å; A827-S831 WeakPolarHBondContact O-CB 3.25Å; A827-S831 PolarHBondContact O-N 3Å; A827-S831 PolarHBondContact O-OG 3.37Å; N828-S831 PolarHBondContact O-N 2.92Å; S831-M833 VanDerWaalsContact C-N 3.26Å; S831-M833 PolarHBondContact O-N 3.3Å; S831-G834 PolarHBondContact O-N 3.46Å; S831-I837 WeakPolarHBondContact OG-CD1 3.43Å
832S64.3Low58.8Low98 Ų9873.3 Ų73.369%0.68543%0.426SS*.Hα-helixtrans-69.3-26176.868.60000112.6N828 L829 G834N828-S832 WeakPolarHBondContact O-CB 3.16Å; N828-S832 PolarHBondContact O-N 3.21Å; N828-S832 PolarHBondContact O-OG 2.93Å; L829-S832 WeakPolarHBondContact CA-OG 3.36Å; L829-S832 PolarHBondContact O-N 3.38Å; L829-S832 PolarHBondContact O-OG 3.28Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 3.29Å
833M70.8Confident57.9Low127 Ų12776.2 Ų76.263%0.62645%0.447SS*.THydrogen-bonded Turntrans-78.4-2.6169.6-69.9179.9176.700114L829 L830 S831L829-M833 HydrophobicContact CD2-CE 3.41Å; L829-M833 VanDerWaalsContact CD2-CE 3.41Å; L829-M833 HydrophobicContact CD2-SD 3.81Å; L829-M833 HydrophobicContact CG-CE 4.32Å; L829-M833 VanDerWaalsContact O-CG 3.29Å; L829-M833 WeakPolarHBondContact O-CG 3.24Å; L829-M833 PolarHBondContact O-N 3.04Å; L830-M833 PolarHBondContact O-N 2.94Å; S831-M833 VanDerWaalsContact C-N 3.26Å; S831-M833 PolarHBondContact O-N 3.3Å
834G56.2Low57Low64 Ų6480.8 Ų80.866%0.6646%0.46SS*.THydrogen-bonded Turntrans77.315.4177.600000115.1L830 S831 S832L830-G834 PolarHBondContact O-N 3.35Å; S831-G834 PolarHBondContact O-N 3.46Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 3.29Å
835L61.9Low55.3Low86 Ų8687 Ų8745%0.4548%0.484SS..  trans-83.5127.9179.8-67.1170.3000110.7L830 I837L830-L835 HydrophobicContact CD2-CD1 3.67Å; L830-L835 PolarHBondContact O-N 2.79Å; L830-L835 VanDerWaalsContact O-N 3.07Å; L835-I837 WeakPolarHBondContact O-CG1 3.35Å; L835-I837 PolarHBondContact O-N 3.35Å
836P51.9Low53.6Low52 Ų5288.9 Ų88.934%0.33849%0.488SS..  trans-7590.6-177.929.7-33.6000110.9H838 Q839P836-H838 PolarHBondContact O-N 3.14Å; P836-Q839 HydrophobicContact CB-CG 4.15Å; P836-Q839 HydrophobicContact CG-CB 4.42Å; P836-Q839 HydrophobicContact CG-CG 4.2Å; P836-Q839 WeakPolarHBondContact O-CB 3.34Å; P836-Q839 PolarHBondContact O-N 3.17Å
837I57.3Low52.1Low15 Ų1593.5 Ų93.58%0.07751%0.513CS..Hα-helixtrans-56.4-30.8-173.4-48.7-177000113P822 A827 L830 S831 L835 Q839 I840P822-I837 HydrophobicContact CB-CG2 4.18Å; P822-I837 HydrophobicContact CG-CG2 3.72Å; A827-I837 HydrophobicContact CB-CD1 4.06Å; A827-I837 WeakPolarHBondContact O-CD1 3.26Å; L830-I837 HydrophobicContact CB-CD1 3.96Å; L830-I837 HydrophobicContact CB-CG1 4.17Å; S831-I837 WeakPolarHBondContact OG-CD1 3.43Å; L835-I837 WeakPolarHBondContact O-CG1 3.35Å; L835-I837 PolarHBondContact O-N 3.35Å; I837-Q839 VanDerWaalsContact C-N 3.25Å; I837-Q839 PolarHBondContact O-N 3.06Å; I837-I840 PolarHBondContact O-N 3.41Å
838H59.6Low50.4Low122 Ų12298.3 Ų98.357%0.56555%0.547SS*.Hα-helixtrans-65.7-23.8177.572-85.5000113.8P836P836-H838 PolarHBondContact O-N 3.14Å
839Q47.3Very low48.6Very low121 Ų121104.2 Ų104.257%0.56556%0.561SS**Hα-helixtrans-79.9-27.8178.4-64.4-175.1-4.700112.3P836 I837 F841 N842P836-Q839 HydrophobicContact CB-CG 4.15Å; P836-Q839 HydrophobicContact CG-CB 4.42Å; P836-Q839 HydrophobicContact CG-CG 4.2Å; P836-Q839 WeakPolarHBondContact O-CB 3.34Å; P836-Q839 PolarHBondContact O-N 3.17Å; I837-Q839 VanDerWaalsContact C-N 3.25Å; I837-Q839 PolarHBondContact O-N 3.06Å; Q839-F841 PolarHBondContact O-N 3.09Å; Q839-N842 PolarHBondContact O-N 3.44Å
840I50.8Low46.7Very low78 Ų78106.8 Ų106.840%0.458%0.575SS.*Hα-helixtrans-63.9-31.9-176.7-57.7177.4000111.1I837I837-I840 PolarHBondContact O-N 3.41Å
841F42.1Very low45.1Very low107 Ų107114.9 Ų114.947%0.46961%0.612SS.*Hα-helixtrans-102.2-15.9178.8-96.3-89.6000115.5L807 Q839 S843L807-F841 HydrophobicContact CB-CE2 4.29Å; Q839-F841 PolarHBondContact O-N 3.09Å; F841-S843 PolarHBondContact O-N 3.34Å
842N35.7Very low42.8Very low84 Ų84117 Ų11745%0.44963%0.627SS.*Hα-helixtrans-75-6.4177.3-91.8-6.5000114.3Q839 K844 Q845Q839-N842 PolarHBondContact O-N 3.44Å; N842-K844 PolarHBondContact O-N 3.18Å; N842-Q845 PolarHBondContact O-N 3.41Å
843S33.4Very low41.1Very low101 Ų101124.4 Ų124.471%0.70665%0.65SS**THydrogen-bonded Turntrans-67.2-9.4173.461.80000114.1F841F841-S843 PolarHBondContact O-N 3.34Å
844K34.7Very low39.6Very low182 Ų182124.3 Ų124.379%0.79165%0.652SS**THydrogen-bonded Turntrans-113.8-3.8175.7-80.7-173.7177.8175.50116.4N842N842-K844 PolarHBondContact O-N 3.18Å
845Q32.1Very low38.7Very low149 Ų149127.4 Ų127.470%0.69665%0.651SS**THydrogen-bonded Turntrans-109.8-5.7-178.6-75.8-166.55.100116N842 T847N842-Q845 PolarHBondContact O-N 3.41Å; Q845-T847 VanDerWaalsContact C-N 3.32Å; Q845-T847 PolarHBondContact O-N 3.49Å
846N26.9Very low37.4Very low150 Ų150129.7 Ų129.780%0.80266%0.662SS**SBendtrans-86.612.3175.5-90.6-1.7000115.8
847T30.7Very low36.6Very low131 Ų131134.3 Ų134.380%0.80468%0.681SS**SBendtrans-106.443.8171.153.50000112.4Q845Q845-T847 VanDerWaalsContact C-N 3.32Å; Q845-T847 PolarHBondContact O-N 3.49Å
848S32.9Very low35.3Very low102 Ų102141.8 Ų141.871%0.71372%0.719SS**SBendtrans-16244.2165.864.70000115.1
849R29.1Very low33.7Very low234 Ų234143.1 Ų143.188%0.88373%0.729SS**SBendtrans-16578.9164.4-110.5167.1-169.4-1753.3109.9
850N26Very low32.7Very low146 Ų146144.6 Ų144.678%0.78174%0.741SS**  trans-172.578.6153.8-91.1-14.3000107.6
851H32.2Very low31.3Very low194 Ų194149.8 Ų149.890%0.89877%0.767SS**  trans-152.178151.8-87.1-56.2000106.2
852S23.1Very low30.4Very low115 Ų115153.3 Ų153.380%0.80479%0.792SS**  trans-127.474.5161.157.70000106.8
853E28.2Very low29.9Very low252 Ų252159.6 Ų159.6100%1.17882%0.823SS**  trans-166.40151.9-98.7-179-170.400104.9

Retrieved 853 of 853 residues in 513.8 ms (Link to these results)

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