A0A023JCL8_MACFA Loading...

Flavin-containing monooxygenase

Broad spectrum monooxygenase that catalyzes the oxygenation of a wide variety of nitrogen- and sulfur-containing compounds including xenobiotics. Catalyzes the S-oxygenation of hypotaurine to produce taurine, an organic osmolyte involved in cell volume regulation as well as a variety of cytoprotective and developmental processes. In vitro, catalyzes the N-oxygenation of trimethylamine (TMA) to produce trimethylamine N-oxide (TMAO) and could therefore participate to the detoxification of this compound that is generated by the action of gut microbiota from dietary precursors such as choline, choline containing compounds, betaine or L-carnitine.

AlphaFold DB , UniProt , Accession A0A023JCL8, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene FMO1, Length 532 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	60.1	Low	92.3	Very high	210 Å²	210	44.5 Å²	44.5	100%	1.034	22%	0.216	S	C	*	.				0	133.6	0	-76.8	-178.5	-134.2	0	0	106.4
2	A	75.4	Confident	92.9	Very high	11 Å²	11	42.5 Å²	42.5	9%	0.091	21%	0.208	C	C	.	.			trans	-69.5	133.8	179.1	0	0	0	0	0	110.5	L26 D141 A142 L393	A2-L26 WeakPolarHBondContact O-CD2 3.4Å; A2-D141 HydrophobicContact CB-CB 3.66Å; A2-A142 HydrophobicContact CB-CB 3.99Å; A2-L393 HydrophobicContact CB-CB 4.46Å; A2-L393 WeakPolarHBondContact CB-O 3.41Å
3	K	90.1	Very high	93.3	Very high	121 Å²	121	40.3 Å²	40.3	53%	0.526	20%	0.2	S	C	.	.			trans	-112.8	-49.2	171.1	-161.4	-177.3	-169.8	-134.1	0	110	E27 D141	K3-E27 WeakPolarHBondContact CE-OE1 3.38Å; K3-E27 HydrophobicContact CG-CG 4.43Å; K3-E27 IonicContact NZ-OE1 3.03Å; K3-E27 PolarHBondContact NZ-OE1 2.83Å; K3-E27 IonicContact NZ-OE2 2.68Å; K3-E27 WeakPolarHBondContact O-CB 3.42Å; K3-E27 PolarHBondContact O-N 3.19Å; K3-D141 WeakPolarHBondContact CA-OD2 3.09Å; K3-D141 PolarHBondContact N-OD2 3.02Å
4	R	98.4	Very high	93.7	Very high	117 Å²	117	37.4 Å²	37.4	44%	0.442	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.9	179.8	-65.4	169.1	58.5	125.1	-0	110.9	E27 F140 D141 A142	R4-E27 WeakPolarHBondContact CA-O 3.43Å; R4-F140 HydrophobicContact CB-CD1 4.02Å; R4-D141 PolarHBondContact N-OD2 2.68Å; R4-D141 WeakPolarHBondContact O-CB 3.35Å; R4-D141 PolarHBondContact O-N 3.34Å; R4-A142 PolarHBondContact O-N 3.08Å
5	V	98.9	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121	-178.6	-174.2	0	0	0	0	110.4	I7 L26 E27 P28 T29 A142 M144 L393	V5-I7 HydrophobicContact CG1-CG1 4.38Å; V5-L26 HydrophobicContact CG2-CB 4.2Å; V5-L26 HydrophobicContact CG2-CD1 3.93Å; V5-E27 PolarHBondContact N-O 3.12Å; V5-P28 CarbonylContact O-C 3.38Å; V5-P28 WeakPolarHBondContact O-CA 3.4Å; V5-T29 PolarHBondContact O-N 3.39Å; V5-A142 WeakPolarHBondContact CA-O 3.31Å; V5-A142 HydrophobicContact CG1-CB 4.47Å; V5-A142 HydrophobicContact CG2-CB 4.4Å; V5-M144 HydrophobicContact CG1-CG 3.89Å; V5-M144 HydrophobicContact CG1-SD 4.02Å; V5-L393 HydrophobicContact CG1-CD1 4.27Å
6	A	98.9	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.4	169.7	0	0	0	0	0	110.2	T29 F31 V127 F140 A142 V143 M144	A6-T29 CarbonylContact C-O 3.6Å; A6-T29 WeakPolarHBondContact CA-O 3.3Å; A6-F31 HydrophobicContact CB-CE2 4.02Å; A6-V127 HydrophobicContact CB-CG2 3.99Å; A6-F140 HydrophobicContact CB-CB 4.08Å; A6-F140 HydrophobicContact CB-CD1 3.79Å; A6-F140 HydrophobicContact CB-CD2 3.79Å; A6-F140 HydrophobicContact CB-CE1 4.12Å; A6-F140 HydrophobicContact CB-CE2 4.1Å; A6-F140 HydrophobicContact CB-CG 3.61Å; A6-F140 HydrophobicContact CB-CZ 4.26Å; A6-A142 PolarHBondContact N-O 3.33Å; A6-V143 HydrophobicContact CB-CG1 4.47Å; A6-V143 HydrophobicContact CB-CG2 4.27Å; A6-V143 CarbonylContact O-C 3.44Å; A6-V143 WeakPolarHBondContact O-CA 3.06Å; A6-M144 PolarHBondContact O-N 3.16Å
7	I	98.9	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.6	176.8	-60.2	173.1	0	0	0	108.7	V5 I18 P28 T29 C30 F31 M144	V5-I7 HydrophobicContact CG1-CG1 4.38Å; I7-I18 HydrophobicContact CD1-CB 4.15Å; I7-I18 HydrophobicContact CD1-CG1 3.54Å; I7-P28 HydrophobicContact CD1-CB 3.67Å; I7-T29 PolarHBondContact N-O 3.03Å; I7-C30 HydrophobicContact CB-CB 3.99Å; I7-C30 HydrophobicContact CG2-CB 4.32Å; I7-C30 CarbonylContact O-C 3.59Å; I7-C30 VanDerWaalsContact O-CA 3.3Å; I7-C30 WeakPolarHBondContact O-CA 3.35Å; I7-F31 PolarHBondContact O-N 3.34Å; I7-M144 CarbonylContact C-O 3.37Å; I7-M144 WeakPolarHBondContact CA-O 3.41Å; I7-M144 HydrophobicContact CG1-CB 4.29Å
8	V	98.8	Very high	94.9	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	101.8	-176.9	-171.9	0	0	0	0	110.3	V110 V143 M144 V145 C146 T147 F337	V8-V110 HydrophobicContact CB-CG2 4.45Å; V8-V110 HydrophobicContact CG1-CB 4Å; V8-V110 HydrophobicContact CG1-CG2 3.86Å; V8-V110 HydrophobicContact CG2-CG1 4.44Å; V8-V110 HydrophobicContact CG2-CG2 4.12Å; V8-V143 HydrophobicContact CG2-CG1 4.13Å; V8-M144 PolarHBondContact N-O 2.98Å; V8-V145 HydrophobicContact CG2-CG2 4.41Å; V8-C146 CarbonylContact O-C 3.56Å; V8-C146 VanDerWaalsContact O-C 3.28Å; V8-C146 VanDerWaalsContact O-CA 3.25Å; V8-C146 WeakPolarHBondContact O-CA 3.47Å; V8-C146 VanDerWaalsContact O-CB 3.29Å; V8-C146 WeakPolarHBondContact O-CB 3.18Å; V8-C146 PolarHBondContact O-N 2.86Å; V8-T147 HydrophobicContact CG1-CG2 3.81Å; V8-F337 HydrophobicContact CG1-CE1 4.33Å; V8-F337 HydrophobicContact CG1-CE2 4.26Å; V8-F337 HydrophobicContact CG1-CZ 4.01Å
9	G	98.7	Very high	95.1	Very high	11 Å²	11	27.9 Å²	27.9	11%	0.113	14%	0.138	C	C	.	.			trans	98	137.8	180	0	0	0	0	0	113.8	G14 F31	G9-G14 WeakPolarHBondContact O-CA 3.46Å; G9-F31 WeakPolarHBondContact CA-O 3.37Å; G9-F31 PolarHBondContact N-O 2.71Å
10	A	98.8	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.			trans	-105.3	34	178.9	0	0	0	0	0	112.6	E32 L37 G38 I104	A10-E32 HydrophobicContact CB-CB 3.77Å; A10-E32 HydrophobicContact CB-CG 3.97Å; A10-E32 PolarHBondContact N-OE2 2.9Å; A10-L37 HydrophobicContact CB-CB 4.2Å; A10-G38 PolarHBondContact O-N 3.44Å; A10-I104 HydrophobicContact CB-CD1 4.14Å; A10-I104 HydrophobicContact CB-CG2 3.97Å
11	G	98.4	Very high	95.4	Very high	12 Å²	12	25.3 Å²	25.3	12%	0.124	13%	0.125	C	C	.	.	S	Bend	trans	-73	-170.7	166.5	0	0	0	0	0	112.2	S13 G14 L15	G11-S13 VanDerWaalsContact C-N 3.31Å; G11-S13 PolarHBondContact O-N 2.9Å; G11-G14 WeakPolarHBondContact O-CA 3.5Å; G11-G14 PolarHBondContact O-N 3.2Å; G11-L15 WeakPolarHBondContact O-CG 3.48Å; G11-L15 PolarHBondContact O-N 2.94Å
12	V	98.7	Very high	97.3	Very high	21 Å²	21	18 Å²	18	13%	0.127	9%	0.09	C	C	.	.	H	α-helix	trans	-48.6	-50.1	176.9	171.4	0	0	0	0	112.4	G14 A16 Y69 L91 I379	V12-G14 VanDerWaalsContact C-N 3.31Å; V12-G14 PolarHBondContact O-N 2.67Å; V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 3.05Å; V12-A16 VanDerWaalsContact O-N 3.16Å; V12-Y69 WeakPolarHBondContact CA-OH 3.44Å; V12-Y69 HydrophobicContact CG1-CE1 4.47Å; V12-Y69 PolarHBondContact O-OH 2.81Å; V12-L91 HydrophobicContact CG2-CD1 3.92Å; V12-L91 HydrophobicContact CG2-CD2 4.11Å; V12-I379 HydrophobicContact CB-CD1 4.38Å; V12-I379 HydrophobicContact CG1-CB 4.14Å; V12-I379 HydrophobicContact CG1-CD1 3.58Å; V12-I379 HydrophobicContact CG1-CG1 3.71Å; V12-I379 HydrophobicContact CG1-CG2 4.45Å; V12-I379 HydrophobicContact CG2-CD1 3.84Å; V12-I379 HydrophobicContact CG2-CG1 4.48Å
13	S	98.8	Very high	98.4	Very high	14 Å²	14	20.9 Å²	20.9	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-36.7	178.1	-58.6	0	0	0	0	112.7	G11 S17 I369	G11-S13 VanDerWaalsContact C-N 3.31Å; G11-S13 PolarHBondContact O-N 2.9Å; S13-S17 WeakPolarHBondContact O-CB 3.38Å; S13-S17 PolarHBondContact O-N 2.79Å; S13-S17 PolarHBondContact O-OG 2.89Å; S13-I369 PolarHBondContact OG-O 2.81Å
14	G	98.8	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.7	-50.9	-179.4	0	0	0	0	0	112.1	G9 G11 V12 A16 S17 I18	G9-G14 WeakPolarHBondContact O-CA 3.46Å; G11-G14 WeakPolarHBondContact O-CA 3.5Å; G11-G14 PolarHBondContact O-N 3.2Å; V12-G14 VanDerWaalsContact C-N 3.31Å; V12-G14 PolarHBondContact O-N 2.67Å; G14-A16 VanDerWaalsContact C-N 3.28Å; G14-A16 PolarHBondContact O-N 2.98Å; G14-S17 WeakPolarHBondContact O-CA 3.47Å; G14-S17 WeakPolarHBondContact O-CB 3.48Å; G14-S17 PolarHBondContact O-N 3.04Å; G14-I18 WeakPolarHBondContact O-CG1 3.3Å; G14-I18 PolarHBondContact O-N 3.03Å
15	L	98.9	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58	-43.3	176.2	-62.3	174.4	0	0	0	111.3	G11 S17 I18 K19 L37 L91 Y94 A95 L100 I104	G11-L15 WeakPolarHBondContact O-CG 3.48Å; G11-L15 PolarHBondContact O-N 2.94Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 3.07Å; L15-I18 PolarHBondContact O-N 3.02Å; L15-K19 WeakPolarHBondContact O-CB 3.43Å; L15-K19 PolarHBondContact O-N 3.19Å; L15-L37 HydrophobicContact CD1-CD1 3.69Å; L15-L37 HydrophobicContact CD2-CB 4.42Å; L15-L37 HydrophobicContact CD2-CD1 4.34Å; L15-L91 HydrophobicContact CD1-CB 4Å; L15-L91 HydrophobicContact CD1-CD2 4.28Å; L15-Y94 HydrophobicContact CB-CD1 4.26Å; L15-Y94 HydrophobicContact CB-CE1 4.31Å; L15-A95 HydrophobicContact CD2-CB 4.13Å; L15-L100 HydrophobicContact CB-CD1 4.26Å; L15-L100 HydrophobicContact CD2-CD1 4.43Å; L15-L100 WeakPolarHBondContact O-CD1 3.47Å; L15-I104 HydrophobicContact CD2-CD1 4.04Å
16	A	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-42.3	175.7	0	0	0	0	0	111.7	V12 G14 K19 C20 Y69 E383 A386	V12-A16 WeakPolarHBondContact O-CB 3.48Å; V12-A16 PolarHBondContact O-N 3.05Å; V12-A16 VanDerWaalsContact O-N 3.16Å; G14-A16 VanDerWaalsContact C-N 3.28Å; G14-A16 PolarHBondContact O-N 2.98Å; A16-K19 PolarHBondContact O-N 2.95Å; A16-C20 WeakPolarHBondContact O-CB 3.24Å; A16-C20 PolarHBondContact O-N 2.85Å; A16-C20 PolarHBondContact O-SG 2.85Å; A16-Y69 HydrophobicContact CB-CD1 4.5Å; A16-Y69 HydrophobicContact CB-CE1 3.68Å; A16-E383 HydrophobicContact CB-CB 4.24Å; A16-E383 HydrophobicContact CB-CG 4.42Å; A16-A386 HydrophobicContact CB-CB 4.45Å
17	S	98.9	Very high	98.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-43.9	179.2	-59.5	0	0	0	0	112.1	S13 G14 L15 K19 C20 C21 M144 C146	S13-S17 WeakPolarHBondContact O-CB 3.38Å; S13-S17 PolarHBondContact O-N 2.79Å; S13-S17 PolarHBondContact O-OG 2.89Å; G14-S17 WeakPolarHBondContact O-CA 3.47Å; G14-S17 WeakPolarHBondContact O-CB 3.48Å; G14-S17 PolarHBondContact O-N 3.04Å; L15-S17 VanDerWaalsContact C-N 3.3Å; L15-S17 PolarHBondContact O-N 3.07Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.15Å; S17-C20 PolarHBondContact O-N 2.93Å; S17-C21 WeakPolarHBondContact O-CB 3.33Å; S17-C21 PolarHBondContact O-N 2.76Å; S17-C21 PolarHBondContact O-SG 3.41Å; S17-C21 VanDerWaalsContact O-SG 3.37Å; S17-M144 VanDerWaalsContact OG-CE 3.29Å; S17-M144 WeakPolarHBondContact OG-CE 3.33Å; S17-C146 PolarHBondContact OG-SG 2.96Å; S17-C146 VanDerWaalsContact OG-SG 3.36Å
18	I	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-50.9	175.2	-60.1	163.2	0	0	0	109	I7 G14 L15 C20 C21 L22 P28 C30 L100 H103 I104	I7-I18 HydrophobicContact CD1-CB 4.15Å; I7-I18 HydrophobicContact CD1-CG1 3.54Å; G14-I18 WeakPolarHBondContact O-CG1 3.3Å; G14-I18 PolarHBondContact O-N 3.03Å; L15-I18 PolarHBondContact O-N 3.02Å; I18-C20 PolarHBondContact O-N 2.81Å; I18-C21 WeakPolarHBondContact O-CB 3.47Å; I18-C21 PolarHBondContact O-N 3.23Å; I18-L22 HydrophobicContact CG2-CD1 4.18Å; I18-L22 WeakPolarHBondContact O-CG 3.29Å; I18-L22 PolarHBondContact O-N 2.87Å; I18-P28 HydrophobicContact CG2-CB 4.33Å; I18-P28 HydrophobicContact CG2-CG 3.89Å; I18-C30 HydrophobicContact CD1-CB 3.66Å; I18-C30 HydrophobicContact CG1-CB 3.94Å; I18-L100 HydrophobicContact CB-CD2 4.37Å; I18-L100 HydrophobicContact CG2-CB 4.06Å; I18-L100 HydrophobicContact CG2-CD2 3.86Å; I18-L100 HydrophobicContact CG2-CG 4.46Å; I18-H103 HydrophobicContact CG2-CB 3.89Å; I18-I104 HydrophobicContact CD1-CD1 3.96Å; I18-I104 HydrophobicContact CD1-CG1 3.65Å
19	K	98.9	Very high	98.7	Very high	7 Å²	7	20 Å²	20	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-44.1	-178.3	-168.8	-91.6	-166.6	-172	0	112.1	L15 A16 S17 L22 E23 D71 Y94 F98 L100	L15-K19 WeakPolarHBondContact O-CB 3.43Å; L15-K19 PolarHBondContact O-N 3.19Å; A16-K19 PolarHBondContact O-N 2.95Å; S17-K19 VanDerWaalsContact C-N 3.34Å; S17-K19 PolarHBondContact O-N 3.15Å; K19-L22 PolarHBondContact O-N 2.87Å; K19-E23 IonicContact NZ-OE2 2.82Å; K19-E23 PolarHBondContact NZ-OE2 2.89Å; K19-E23 WeakPolarHBondContact O-CB 3.46Å; K19-E23 PolarHBondContact O-N 3.37Å; K19-D71 WeakPolarHBondContact CE-OD2 3.39Å; K19-D71 VanDerWaalsContact NZ-CG 3.27Å; K19-D71 IonicContact NZ-OD1 3.72Å; K19-D71 PolarHBondContact NZ-OD1 3.37Å; K19-D71 IonicContact NZ-OD2 2.67Å; K19-D71 PolarHBondContact NZ-OD2 2.89Å; K19-Y94 HydrophobicContact CB-CE1 4.03Å; K19-Y94 WeakPolarHBondContact CB-OH 3.29Å; K19-Y94 WeakPolarHBondContact CD-OH 3.3Å; K19-Y94 HydrophobicContact CG-CE1 4.19Å; K19-Y94 WeakPolarHBondContact CG-OH 3.25Å; K19-F98 HydrophobicContact CG-CB 3.98Å; K19-F98 HydrophobicContact CG-CD1 4.21Å; K19-F98 HydrophobicContact CG-CD2 4.08Å; K19-F98 HydrophobicContact CG-CG 3.83Å; K19-L100 HydrophobicContact CB-CD1 4.01Å; K19-L100 HydrophobicContact CB-CD2 3.79Å; K19-L100 HydrophobicContact CG-CD2 4.22Å
20	C	98.9	Very high	98.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-37.1	177	-67.9	0	0	0	0	112.4	A16 S17 I18 E23 E24 A386 R387 V390	A16-C20 WeakPolarHBondContact O-CB 3.24Å; A16-C20 PolarHBondContact O-N 2.85Å; A16-C20 PolarHBondContact O-SG 2.85Å; S17-C20 PolarHBondContact O-N 2.93Å; I18-C20 PolarHBondContact O-N 2.81Å; C20-E23 PolarHBondContact O-N 2.81Å; C20-E24 PolarHBondContact O-N 2.79Å; C20-E24 VanDerWaalsContact O-N 3.12Å; C20-A386 HydrophobicContact CB-CB 4.08Å; C20-R387 VanDerWaalsContact SG-CG 3.55Å; C20-V390 HydrophobicContact CB-CG1 4Å; C20-V390 HydrophobicContact CB-CG2 3.97Å
21	C	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-49.2	172.5	-80	0	0	0	0	110.9	S17 I18 E24 G25 L26 P28	S17-C21 WeakPolarHBondContact O-CB 3.33Å; S17-C21 PolarHBondContact O-N 2.76Å; S17-C21 PolarHBondContact O-SG 3.41Å; S17-C21 VanDerWaalsContact O-SG 3.37Å; I18-C21 WeakPolarHBondContact O-CB 3.47Å; I18-C21 PolarHBondContact O-N 3.23Å; C21-E24 CarbonylContact O-C 3.56Å; C21-E24 PolarHBondContact O-N 3.48Å; C21-G25 PolarHBondContact O-N 2.71Å; C21-G25 VanDerWaalsContact O-N 3.11Å; C21-L26 HydrophobicContact CB-CB 4.02Å; C21-L26 WeakPolarHBondContact O-CB 3.45Å; C21-L26 PolarHBondContact O-N 3.42Å; C21-P28 HydrophobicContact CB-CB 3.84Å; C21-P28 HydrophobicContact CB-CG 3.86Å
22	L	98.7	Very high	98.7	Very high	57 Å²	57	19.9 Å²	19.9	30%	0.298	12%	0.117	S	C	.	.	H	α-helix	trans	-62.7	-43.3	179	-65.8	175.5	0	0	0	112.3	I18 K19 E24 G25 P28 L100	I18-L22 HydrophobicContact CG2-CD1 4.18Å; I18-L22 WeakPolarHBondContact O-CG 3.29Å; I18-L22 PolarHBondContact O-N 2.87Å; K19-L22 PolarHBondContact O-N 2.87Å; L22-E24 PolarHBondContact O-N 2.89Å; L22-G25 PolarHBondContact O-N 2.82Å; L22-P28 HydrophobicContact CD2-CG 3.85Å; L22-P28 HydrophobicContact CG-CG 3.99Å; L22-L100 HydrophobicContact CD1-CD2 3.81Å
23	E	98.3	Very high	98.7	Very high	71 Å²	71	23.6 Å²	23.6	33%	0.332	13%	0.129	S	C	.	.	H	α-helix	trans	-60.1	-33	177.8	-172.6	177.3	118.5	0	0	112.3	K19 C20 R474 G479	K19-E23 IonicContact NZ-OE2 2.82Å; K19-E23 PolarHBondContact NZ-OE2 2.89Å; K19-E23 WeakPolarHBondContact O-CB 3.46Å; K19-E23 PolarHBondContact O-N 3.37Å; C20-E23 PolarHBondContact O-N 2.81Å; E23-R474 IonicContact OE1-CZ 3.18Å; E23-R474 IonicContact OE1-NH1 2.92Å; E23-R474 PolarHBondContact OE1-NH1 3.48Å; E23-R474 IonicContact OE1-NH2 2.75Å; E23-R474 IonicContact OE2-CZ 2.64Å; E23-R474 IonicContact OE2-NH1 3.31Å; E23-R474 PolarHBondContact OE2-NH1 2.86Å; E23-R474 IonicContact OE2-NH2 2.65Å; E23-R474 PolarHBondContact OE2-NH2 2.92Å; E23-G479 VanDerWaalsContact OE1-CA 3.26Å; E23-G479 WeakPolarHBondContact OE1-CA 3.43Å
24	E	98.1	Very high	98.6	Very high	25 Å²	25	23.2 Å²	23.2	12%	0.117	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.2	176.1	-72.8	-71.5	172	0	0	113.6	C20 C21 L22 V390 R391 K394	C20-E24 PolarHBondContact O-N 2.79Å; C20-E24 VanDerWaalsContact O-N 3.12Å; C21-E24 CarbonylContact O-C 3.56Å; C21-E24 PolarHBondContact O-N 3.48Å; L22-E24 PolarHBondContact O-N 2.89Å; E24-V390 HydrophobicContact CB-CG2 4.25Å; E24-V390 HydrophobicContact CG-CG2 3.78Å; E24-R391 HydrophobicContact CG-CG 4.05Å; E24-R391 WeakPolarHBondContact OE1-CD 3.12Å; E24-R391 WeakPolarHBondContact OE1-CG 3.37Å; E24-R391 IonicContact OE1-CZ 3.99Å; E24-R391 IonicContact OE1-NE 2.76Å; E24-R391 IonicContact OE1-NH1 3.17Å; E24-R391 PolarHBondContact OE1-NH1 3.35Å; E24-R391 IonicContact OE2-NH1 2.93Å; E24-K394 HydrophobicContact CB-CD 4.22Å; E24-K394 WeakPolarHBondContact O-CE 3.42Å; E24-K394 PolarHBondContact O-NZ 2.84Å; E24-K394 IonicContact OE2-NZ 3.4Å; E24-K394 PolarHBondContact OE2-NZ 3.2Å
25	G	97.8	Very high	98.6	Very high	63 Å²	63	27.2 Å²	27.2	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	28.2	176.2	0	0	0	0	0	114.7	C21 L22	C21-G25 PolarHBondContact O-N 2.71Å; C21-G25 VanDerWaalsContact O-N 3.11Å; L22-G25 PolarHBondContact O-N 2.82Å
26	L	98.4	Very high	98.6	Very high	11 Å²	11	29 Å²	29	6%	0.058	16%	0.157	C	C	.	.			trans	-91.2	164.8	170	-55.9	180	0	0	0	110.7	A2 V5 C21 P28 V390 K394	A2-L26 WeakPolarHBondContact O-CD2 3.4Å; V5-L26 HydrophobicContact CG2-CB 4.2Å; V5-L26 HydrophobicContact CG2-CD1 3.93Å; C21-L26 HydrophobicContact CB-CB 4.02Å; C21-L26 WeakPolarHBondContact O-CB 3.45Å; C21-L26 PolarHBondContact O-N 3.42Å; L26-P28 WeakPolarHBondContact O-CD 3.37Å; L26-V390 HydrophobicContact CD1-CB 4.13Å; L26-K394 HydrophobicContact CD2-CB 4.36Å; L26-K394 HydrophobicContact CD2-CD 4.45Å; L26-K394 HydrophobicContact CD2-CG 4.3Å
27	E	98.6	Very high	98.6	Very high	89 Å²	89	29.1 Å²	29.1	42%	0.416	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	91.7	-179.4	-64.6	172.1	-176.9	0	0	109.8	K3 R4 V5	K3-E27 WeakPolarHBondContact CE-OE1 3.38Å; K3-E27 HydrophobicContact CG-CG 4.43Å; K3-E27 IonicContact NZ-OE1 3.03Å; K3-E27 PolarHBondContact NZ-OE1 2.83Å; K3-E27 IonicContact NZ-OE2 2.68Å; K3-E27 WeakPolarHBondContact O-CB 3.42Å; K3-E27 PolarHBondContact O-N 3.19Å; R4-E27 WeakPolarHBondContact CA-O 3.43Å; V5-E27 PolarHBondContact N-O 3.12Å
28	P	98.8	Very high	98.5	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.9	179.9	30.5	-33.2	0	0	0	112.4	V5 I7 I18 C21 L22 L26 H103	V5-P28 CarbonylContact O-C 3.38Å; V5-P28 WeakPolarHBondContact O-CA 3.4Å; I7-P28 HydrophobicContact CD1-CB 3.67Å; I18-P28 HydrophobicContact CG2-CB 4.33Å; I18-P28 HydrophobicContact CG2-CG 3.89Å; C21-P28 HydrophobicContact CB-CB 3.84Å; C21-P28 HydrophobicContact CB-CG 3.86Å; L22-P28 HydrophobicContact CD2-CG 3.85Å; L22-P28 HydrophobicContact CG-CG 3.99Å; L26-P28 WeakPolarHBondContact O-CD 3.37Å; P28-H103 HydrophobicContact CG-CB 4.41Å; P28-H103 PolarHBondContact O-ND1 3.49Å
29	T	98.9	Very high	98.4	Very high	36 Å²	36	29.7 Å²	29.7	22%	0.221	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.8	162.1	-56.7	0	0	0	0	108.3	V5 A6 I7 F31 F140	V5-T29 PolarHBondContact O-N 3.39Å; A6-T29 CarbonylContact C-O 3.6Å; A6-T29 WeakPolarHBondContact CA-O 3.3Å; I7-T29 PolarHBondContact N-O 3.03Å; T29-F31 HydrophobicContact CG2-CD1 4.47Å; T29-F31 HydrophobicContact CG2-CE1 3.77Å; T29-F31 HydrophobicContact CG2-CE2 4.3Å; T29-F31 HydrophobicContact CG2-CZ 3.68Å; T29-F140 HydrophobicContact CG2-CZ 4.23Å
30	C	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.1	-179.3	-179	0	0	0	0	111	I7 I18 H103 I104 Q105	I7-C30 HydrophobicContact CB-CB 3.99Å; I7-C30 HydrophobicContact CG2-CB 4.32Å; I7-C30 CarbonylContact O-C 3.59Å; I7-C30 VanDerWaalsContact O-CA 3.3Å; I7-C30 WeakPolarHBondContact O-CA 3.35Å; I18-C30 HydrophobicContact CD1-CB 3.66Å; I18-C30 HydrophobicContact CG1-CB 3.94Å; C30-H103 WeakPolarHBondContact CB-O 2.97Å; C30-H103 PolarHBondContact N-O 2.82Å; C30-I104 HydrophobicContact CB-CG1 4.14Å; C30-I104 CarbonylContact O-C 3.5Å; C30-I104 WeakPolarHBondContact O-CA 3.42Å; C30-Q105 PolarHBondContact O-N 2.85Å
31	F	98.9	Very high	98.4	Very high	10 Å²	10	33.5 Å²	33.5	4%	0.044	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114	177.1	-55	-69	0	0	0	109.2	A6 I7 G9 T29 Q105 T108 V110 V127 T129 F140	A6-F31 HydrophobicContact CB-CE2 4.02Å; I7-F31 PolarHBondContact O-N 3.34Å; G9-F31 WeakPolarHBondContact CA-O 3.37Å; G9-F31 PolarHBondContact N-O 2.71Å; T29-F31 HydrophobicContact CG2-CD1 4.47Å; T29-F31 HydrophobicContact CG2-CE1 3.77Å; T29-F31 HydrophobicContact CG2-CE2 4.3Å; T29-F31 HydrophobicContact CG2-CZ 3.68Å; F31-Q105 HydrophobicContact CD1-CB 4.28Å; F31-Q105 VanDerWaalsContact CE1-OE1 3.27Å; F31-T108 HydrophobicContact CB-CG2 4.34Å; F31-T108 HydrophobicContact CD1-CG2 3.65Å; F31-T108 HydrophobicContact CE1-CG2 4.4Å; F31-T108 HydrophobicContact CG-CG2 4.38Å; F31-V110 HydrophobicContact CB-CG2 3.58Å; F31-V110 HydrophobicContact CD2-CG2 3.92Å; F31-V110 HydrophobicContact CG-CG2 4.01Å; F31-V127 HydrophobicContact CD2-CG1 4.34Å; F31-V127 HydrophobicContact CE2-CG1 3.95Å; F31-T129 HydrophobicContact CD1-CG2 3.86Å; F31-T129 HydrophobicContact CD2-CG2 4.23Å; F31-T129 HydrophobicContact CE1-CG2 3.87Å; F31-T129 HydrophobicContact CE2-CG2 4.26Å; F31-T129 HydrophobicContact CG-CG2 4.03Å; F31-T129 HydrophobicContact CZ-CG2 4.06Å; F31-F140 AromaticContact CE2-CE2 3.98Å; F31-F140 HydrophobicContact CE2-CE2 3.98Å; F31-F140 AromaticContact CE2-CZ 3.97Å; F31-F140 HydrophobicContact CE2-CZ 3.97Å; F31-F140 AromaticContact CZ-CE2 3.86Å; F31-F140 HydrophobicContact CZ-CE2 3.86Å; F31-F140 AromaticContact CZ-CZ 3.71Å; F31-F140 HydrophobicContact CZ-CZ 3.71Å
32	E	98.8	Very high	98.3	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.042	19%	0.185	C	C	.	.			trans	-110.1	123	177.1	174.6	48.5	-121.7	0	0	109.3	A10 S34 I104 Q105 F106 K107 T108	A10-E32 HydrophobicContact CB-CB 3.77Å; A10-E32 HydrophobicContact CB-CG 3.97Å; A10-E32 PolarHBondContact N-OE2 2.9Å; E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.34Å; E32-S34 WeakPolarHBondContact OE1-CB 3.45Å; E32-S34 PolarHBondContact OE1-N 3.39Å; E32-S34 PolarHBondContact OE1-OG 3.13Å; E32-I104 HydrophobicContact CB-CG2 3.99Å; E32-Q105 PolarHBondContact N-O 3.32Å; E32-F106 HydrophobicContact CB-CD1 3.87Å; E32-F106 HydrophobicContact CB-CE1 4.26Å; E32-F106 HydrophobicContact CG-CD1 3.75Å; E32-F106 HydrophobicContact CG-CE1 4.08Å; E32-F106 CarbonylContact O-C 3.48Å; E32-K107 PolarHBondContact O-N 3.42Å; E32-T108 CarbonylContact C-O 3.4Å; E32-T108 PolarHBondContact O-N 3.36Å
33	R	98.3	Very high	98.3	Very high	99 Å²	99	33.2 Å²	33.2	37%	0.374	18%	0.177	S	C	.	.	S	Bend	trans	-68	-28.5	-177.2	67.1	176.6	-66.6	150.6	-0.1	112.8	E49 G50 K109	R33-E49 PolarHBondContact NE-O 2.8Å; R33-E49 PolarHBondContact NH2-O 3.35Å; R33-G50 WeakPolarHBondContact CD-O 3.17Å; R33-K109 HydrophobicContact CB-CB 4.42Å
34	S	97.9	Very high	98.3	Very high	6 Å²	6	31 Å²	31	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-95.5	-179.7	-179.4	71.5	0	0	0	0	111.5	E32 D36 R42 E48 K107	E32-S34 VanDerWaalsContact C-N 3.26Å; E32-S34 PolarHBondContact O-N 3.34Å; E32-S34 WeakPolarHBondContact OE1-CB 3.45Å; E32-S34 PolarHBondContact OE1-N 3.39Å; E32-S34 PolarHBondContact OE1-OG 3.13Å; S34-D36 PolarHBondContact OG-O 3.41Å; S34-R42 PolarHBondContact OG-NH2 2.67Å; S34-E48 WeakPolarHBondContact CB-OE2 3.32Å; S34-K107 PolarHBondContact O-N 3.29Å
35	D	97.9	Very high	98.3	Very high	85 Å²	85	34.5 Å²	34.5	46%	0.455	19%	0.185	S	C	.	.	S	Bend	trans	-87.6	-7.2	-171.6	61.7	-32.3	0	0	0	115	R42 K107	D35-R42 IonicContact OD1-CZ 2.71Å; D35-R42 IonicContact OD1-NH1 3.72Å; D35-R42 PolarHBondContact OD1-NH1 3.11Å; D35-R42 IonicContact OD1-NH2 3.81Å; D35-R42 PolarHBondContact OD1-NH2 2.64Å; D35-K107 HydrophobicContact CB-CG 4.24Å
36	D	98.5	Very high	98.3	Very high	37 Å²	37	38.8 Å²	38.8	20%	0.198	19%	0.188	C	C	.	.	S	Bend	trans	-157.1	161.8	179.4	-169.1	12.8	0	0	0	110.9	S34 R42 K92 F106	S34-D36 PolarHBondContact OG-O 3.41Å; D36-R42 PolarHBondContact O-NE 3.35Å; D36-K92 WeakPolarHBondContact OD2-CE 3.21Å; D36-K92 IonicContact OD2-NZ 3.96Å; D36-K92 PolarHBondContact OD2-NZ 3.25Å; D36-F106 VanDerWaalsContact C-CE1 3.47Å
37	L	98.6	Very high	98.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-73.9	173.6	-176.4	68.2	108.4	0	0	0	113.7	A10 L15 L91 K92 A95 L101 F106	A10-L37 HydrophobicContact CB-CB 4.2Å; L15-L37 HydrophobicContact CD1-CD1 3.69Å; L15-L37 HydrophobicContact CD2-CB 4.42Å; L15-L37 HydrophobicContact CD2-CD1 4.34Å; L37-L91 HydrophobicContact CD1-CB 4.01Å; L37-K92 HydrophobicContact CD1-CG 4.06Å; L37-K92 HydrophobicContact CD2-CG 4.29Å; L37-K92 HydrophobicContact CG-CG 4.35Å; L37-A95 HydrophobicContact CD2-CB 4.15Å; L37-L101 HydrophobicContact CD2-CD2 3.45Å; L37-L101 VanDerWaalsContact CD2-CD2 3.45Å; L37-F106 HydrophobicContact CB-CE1 4.31Å; L37-F106 HydrophobicContact CB-CZ 4.48Å
38	G	97.4	Very high	98.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	20%	0.195	C	C	.	.			trans	100.1	-20.8	170.7	0	0	0	0	0	114.8	A10 L40 W41	A10-G38 PolarHBondContact O-N 3.44Å; G38-L40 PolarHBondContact O-N 3.23Å; G38-W41 PolarHBondContact O-N 3Å
39	G	97.6	Very high	97.9	Very high	11 Å²	11	47.4 Å²	47.4	11%	0.113	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	58.1	-109.3	174.4	0	0	0	0	0	112.5	W41 R42 R51	G39-W41 VanDerWaalsContact C-N 3.33Å; G39-W41 PolarHBondContact O-N 3.49Å; G39-R42 PolarHBondContact O-N 2.92Å; G39-R51 PolarHBondContact O-NE 3.32Å
40	L	97.9	Very high	97.6	Very high	52 Å²	52	46.9 Å²	46.9	27%	0.272	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.2	-43.1	178.9	177.4	68.1	0	0	0	112.8	G38 R42 A52 L54 L150	G38-L40 PolarHBondContact O-N 3.23Å; L40-R42 PolarHBondContact O-N 3.29Å; L40-A52 HydrophobicContact CB-CB 4.07Å; L40-A52 HydrophobicContact CD1-CB 3.63Å; L40-A52 HydrophobicContact CG-CB 4.45Å; L40-L54 HydrophobicContact CD1-CD1 3.65Å; L40-L54 HydrophobicContact CG-CD1 4.05Å; L40-L150 HydrophobicContact CD2-CD1 4.36Å
41	W	98.4	Very high	97.5	Very high	37 Å²	37	47.5 Å²	47.5	14%	0.14	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-75.7	-9.8	-173.8	-69.6	109.8	0	0	0	113.2	G38 G39 F43 V58 N84 F87 L91	G38-W41 PolarHBondContact O-N 3Å; G39-W41 VanDerWaalsContact C-N 3.33Å; G39-W41 PolarHBondContact O-N 3.49Å; W41-F43 PolarHBondContact O-N 2.75Å; W41-V58 HydrophobicContact CZ3-CG1 4.12Å; W41-N84 HydrophobicContact CE3-CB 3.97Å; W41-N84 HydrophobicContact CZ3-CB 4.26Å; W41-F87 HydrophobicContact CB-CB 4.5Å; W41-F87 HydrophobicContact CB-CD1 4.29Å; W41-F87 AromaticContact CD1-CD1 3.84Å; W41-F87 HydrophobicContact CD2-CB 3.87Å; W41-F87 AromaticContact CD2-CD1 3.71Å; W41-F87 HydrophobicContact CD2-CD1 3.71Å; W41-F87 AromaticContact CD2-CD2 3.8Å; W41-F87 HydrophobicContact CD2-CD2 3.8Å; W41-F87 HydrophobicContact CD2-CE1 4.33Å; W41-F87 HydrophobicContact CD2-CE2 4.4Å; W41-F87 AromaticContact CD2-CG 3.48Å; W41-F87 HydrophobicContact CD2-CG 3.48Å; W41-F87 VanDerWaalsContact CD2-CG 3.48Å; W41-F87 AromaticContact CE2-CD1 3.88Å; W41-F87 AromaticContact CE2-CD2 3.65Å; W41-F87 AromaticContact CE2-CE2 3.82Å; W41-F87 AromaticContact CE2-CG 3.75Å; W41-F87 HydrophobicContact CE3-CB 3.55Å; W41-F87 HydrophobicContact CE3-CD1 4.28Å; W41-F87 AromaticContact CE3-CD2 3.78Å; W41-F87 HydrophobicContact CE3-CD2 3.78Å; W41-F87 AromaticContact CE3-CG 3.58Å; W41-F87 HydrophobicContact CE3-CG 3.58Å; W41-F87 HydrophobicContact CG-CB 4.3Å; W41-F87 AromaticContact CG-CD1 3.7Å; W41-F87 HydrophobicContact CG-CD1 3.7Å; W41-F87 HydrophobicContact CG-CE1 4.32Å; W41-F87 AromaticContact CG-CG 3.95Å; W41-F87 HydrophobicContact CG-CG 3.95Å; W41-F87 AromaticContact CH2-CD2 3.51Å; W41-F87 HydrophobicContact CH2-CD2 3.51Å; W41-F87 AromaticContact CH2-CE2 3.93Å; W41-F87 HydrophobicContact CH2-CE2 3.93Å; W41-F87 HydrophobicContact CH2-CG 4.19Å; W41-F87 AromaticContact CZ2-CD2 3.53Å; W41-F87 HydrophobicContact CZ2-CD2 3.53Å; W41-F87 AromaticContact CZ2-CE2 3.57Å; W41-F87 HydrophobicContact CZ2-CE2 3.57Å; W41-F87 HydrophobicContact CZ2-CG 4.12Å; W41-F87 HydrophobicContact CZ2-CZ 4.15Å; W41-F87 HydrophobicContact CZ3-CB 4.02Å; W41-F87 AromaticContact CZ3-CD2 3.63Å; W41-F87 HydrophobicContact CZ3-CD2 3.63Å; W41-F87 HydrophobicContact CZ3-CE2 4.48Å; W41-F87 AromaticContact CZ3-CG 3.93Å; W41-F87 HydrophobicContact CZ3-CG 3.93Å; W41-F87 AromaticContact NE1-CD1 3.93Å; W41-F87 AromaticContact NE1-CE1 3.82Å; W41-L91 HydrophobicContact CB-CD1 4.05Å; W41-L91 HydrophobicContact CG-CD1 4.35Å
42	R	98.3	Very high	97.4	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	24%	0.239	C	C	.	.	S	Bend	trans	-85.8	92.9	171.1	-170.9	168.8	66.8	95.4	-8.6	110	S34 D35 D36 G39 L40 T44 E48 R51 L88	S34-R42 PolarHBondContact OG-NH2 2.67Å; D35-R42 IonicContact OD1-CZ 2.71Å; D35-R42 IonicContact OD1-NH1 3.72Å; D35-R42 PolarHBondContact OD1-NH1 3.11Å; D35-R42 IonicContact OD1-NH2 3.81Å; D35-R42 PolarHBondContact OD1-NH2 2.64Å; D36-R42 PolarHBondContact O-NE 3.35Å; G39-R42 PolarHBondContact O-N 2.92Å; L40-R42 PolarHBondContact O-N 3.29Å; R42-T44 PolarHBondContact O-N 2.95Å; R42-E48 IonicContact NH2-OE2 2.61Å; R42-R51 VanDerWaalsContact CZ-NH1 3.32Å; R42-R51 PolarHBondContact O-NH2 3Å; R42-L88 HydrophobicContact CB-CD1 3.95Å; R42-L88 HydrophobicContact CB-CD2 4.18Å; R42-L88 HydrophobicContact CG-CD1 4.37Å; R42-L88 HydrophobicContact CG-CD2 3.9Å
43	F	98.5	Very high	97.4	Very high	32 Å²	32	47.7 Å²	47.7	14%	0.14	24%	0.24	C	C	.	.			trans	-63.2	130.5	171.7	173.8	-91.3	0	0	0	110.5	W41 E45 L54 K56 N84 K177	W41-F43 PolarHBondContact O-N 2.75Å; F43-E45 HydrophobicContact CE1-CG 4.48Å; F43-E45 VanDerWaalsContact CE1-OE1 3.23Å; F43-E45 WeakPolarHBondContact CE1-OE1 3.41Å; F43-E45 WeakPolarHBondContact CZ-OE1 3.4Å; F43-L54 WeakPolarHBondContact CD2-O 3.4Å; F43-K56 HydrophobicContact CD1-CD 3.87Å; F43-K56 HydrophobicContact CD2-CD 4.4Å; F43-K56 HydrophobicContact CE1-CD 3.52Å; F43-K56 HydrophobicContact CE2-CB 3.88Å; F43-K56 HydrophobicContact CE2-CD 4.09Å; F43-K56 HydrophobicContact CG-CD 4.3Å; F43-K56 HydrophobicContact CZ-CB 3.97Å; F43-K56 HydrophobicContact CZ-CD 3.64Å; F43-K56 HydrophobicContact CZ-CG 4.38Å; F43-N84 WeakPolarHBondContact CB-OD1 3.49Å; F43-K177 HydrophobicContact CE2-CD 3.94Å; F43-K177 HydrophobicContact CZ-CD 4.4Å
44	T	98.3	Very high	97.4	Very high	26 Å²	26	43.8 Å²	43.8	16%	0.16	23%	0.227	C	C	.	.			trans	-132	149.7	169.2	55.8	0	0	0	0	108.7	R42 H46 R51 K177	R42-T44 PolarHBondContact O-N 2.95Å; T44-H46 VanDerWaalsContact C-N 3.32Å; T44-H46 PolarHBondContact O-N 2.84Å; T44-H46 PolarHBondContact OG1-O 2.71Å; T44-R51 VanDerWaalsContact CG2-NH2 3.27Å; T44-R51 PolarHBondContact OG1-NH2 3.21Å; T44-K177 WeakPolarHBondContact O-CE 3.15Å; T44-K177 PolarHBondContact O-NZ 2.92Å
45	E	97.9	Very high	97.4	Very high	98 Å²	98	44.3 Å²	44.3	46%	0.458	23%	0.228	S	C	.	.	S	Bend	trans	-62.2	-42	176.5	-67.9	-58.4	152.3	0	0	111.6	F43 K177 H178	F43-E45 HydrophobicContact CE1-CG 4.48Å; F43-E45 VanDerWaalsContact CE1-OE1 3.23Å; F43-E45 WeakPolarHBondContact CE1-OE1 3.41Å; F43-E45 WeakPolarHBondContact CZ-OE1 3.4Å; E45-K177 WeakPolarHBondContact O-CD 3.38Å; E45-K177 WeakPolarHBondContact O-CE 3.48Å; E45-H178 IonicContact OE1-CE1 3.34Å; E45-H178 IonicContact OE1-NE2 2.78Å; E45-H178 PolarHBondContact OE1-NE2 2.68Å; E45-H178 IonicContact OE2-CD2 3.32Å; E45-H178 PolarHBondContact OE2-CD2 2.74Å; E45-H178 IonicContact OE2-CE1 2.69Å; E45-H178 IonicContact OE2-NE2 3.07Å; E45-H178 PolarHBondContact OE2-NE2 3.37Å
46	H	97.3	Very high	97.5	Very high	153 Å²	153	45.1 Å²	45.1	71%	0.708	23%	0.227	S	C	*	.	S	Bend	trans	-89.3	147.7	177.9	-57.4	-60.7	0	0	0	112.1	T44 E48	T44-H46 VanDerWaalsContact C-N 3.32Å; T44-H46 PolarHBondContact O-N 2.84Å; T44-H46 PolarHBondContact OG1-O 2.71Å; H46-E48 PolarHBondContact O-N 2.86Å
47	V	97.8	Very high	97.5	Very high	57 Å²	57	46 Å²	46	35%	0.345	24%	0.237	S	C	.	.			trans	-80.3	113.9	171.8	-179.8	0	0	0	0	108.5	R174	V47-R174 HydrophobicContact CG1-CG 4.34Å
48	E	96.4	Very high	97.5	Very high	59 Å²	59	46.6 Å²	46.6	28%	0.276	24%	0.24	S	C	.	.			trans	-86.7	129.1	173.8	-76.1	174.4	-135.6	0	0	111	S34 R42 H46 G50 R51 R174	S34-E48 WeakPolarHBondContact CB-OE2 3.32Å; R42-E48 IonicContact NH2-OE2 2.61Å; H46-E48 PolarHBondContact O-N 2.86Å; E48-G50 PolarHBondContact O-N 2.81Å; E48-R51 HydrophobicContact CB-CB 4.22Å; E48-R51 PolarHBondContact O-N 2.78Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NH1 2.71Å; E48-R51 PolarHBondContact OE1-NH1 2.81Å; E48-R51 IonicContact OE2-CZ 3.24Å; E48-R51 IonicContact OE2-NH1 3.47Å; E48-R51 PolarHBondContact OE2-NH1 2.88Å; E48-R174 PolarHBondContact O-NH2 2.84Å
49	E	94	Very high	97.5	Very high	167 Å²	167	49 Å²	49	78%	0.78	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	137.9	178.4	-164.2	-172.3	159.8	0	0	111.1	R33 R51	R33-E49 PolarHBondContact NE-O 2.8Å; R33-E49 PolarHBondContact NH2-O 3.35Å; E49-R51 PolarHBondContact O-N 2.9Å
50	G	92.6	Very high	97.5	Very high	26 Å²	26	48.5 Å²	48.5	27%	0.268	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	9.9	179.4	0	0	0	0	0	116.2	R33 E48	R33-G50 WeakPolarHBondContact CD-O 3.17Å; E48-G50 PolarHBondContact O-N 2.81Å
51	R	97.3	Very high	97.5	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.045	25%	0.251	C	S	.	.	S	Bend	trans	-108.5	146.8	159.1	-160.1	-174	85	-144.5	1.8	109.4	G39 R42 T44 E48 E49 R174	G39-R51 PolarHBondContact O-NE 3.32Å; R42-R51 VanDerWaalsContact CZ-NH1 3.32Å; R42-R51 PolarHBondContact O-NH2 3Å; T44-R51 VanDerWaalsContact CG2-NH2 3.27Å; T44-R51 PolarHBondContact OG1-NH2 3.21Å; E48-R51 HydrophobicContact CB-CB 4.22Å; E48-R51 PolarHBondContact O-N 2.78Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NH1 2.71Å; E48-R51 PolarHBondContact OE1-NH1 2.81Å; E48-R51 IonicContact OE2-CZ 3.24Å; E48-R51 IonicContact OE2-NH1 3.47Å; E48-R51 PolarHBondContact OE2-NH1 2.88Å; E49-R51 PolarHBondContact O-N 2.9Å; R51-R174 VanDerWaalsContact O-CZ 3.24Å; R51-R174 PolarHBondContact O-NH1 3.47Å; R51-R174 PolarHBondContact O-NH2 3.25Å
52	A	96.7	Very high	97.4	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	25%	0.247	C	C	.	.			trans	-66.6	145.5	175.9	0	0	0	0	0	109.7	L40 L150 T151	L40-A52 HydrophobicContact CB-CB 4.07Å; L40-A52 HydrophobicContact CD1-CB 3.63Å; L40-A52 HydrophobicContact CG-CB 4.45Å; A52-L150 HydrophobicContact CB-CB 4.4Å; A52-L150 VanDerWaalsContact CB-O 3.3Å; A52-L150 WeakPolarHBondContact CB-O 3.34Å; A52-T151 HydrophobicContact CB-CG2 4.2Å
53	S	98.2	Very high	97.4	Very high	11 Å²	11	46.5 Å²	46.5	8%	0.077	24%	0.243	C	C	.	.			trans	-107	150.5	-179.1	-173.3	0	0	0	0	110.2	R174 K177	S53-R174 WeakPolarHBondContact CB-O 3.48Å; S53-R174 PolarHBondContact OG-O 2.94Å; S53-K177 WeakPolarHBondContact OG-CE 3.4Å; S53-K177 PolarHBondContact OG-NZ 3.12Å
54	L	97.9	Very high	97.4	Very high	16 Å²	16	45 Å²	45	8%	0.084	24%	0.237	C	C	.	.			trans	-133.7	145.9	-178.5	-153.1	73.1	0	0	0	110.3	L40 F43 V58 N84 K177	L40-L54 HydrophobicContact CD1-CD1 3.65Å; L40-L54 HydrophobicContact CG-CD1 4.05Å; F43-L54 WeakPolarHBondContact CD2-O 3.4Å; L54-V58 HydrophobicContact CD1-CB 4.12Å; L54-V58 HydrophobicContact CD1-CG1 4.1Å; L54-V58 HydrophobicContact CD1-CG2 3.73Å; L54-V58 HydrophobicContact CD2-CB 3.9Å; L54-V58 HydrophobicContact CD2-CG1 4.22Å; L54-V58 HydrophobicContact CD2-CG2 4.23Å; L54-V58 HydrophobicContact CG-CB 3.92Å; L54-V58 HydrophobicContact CG-CG1 4.37Å; L54-V58 HydrophobicContact CG-CG2 3.67Å; L54-N84 HydrophobicContact CD2-CB 3.37Å; L54-K177 WeakPolarHBondContact O-CD 3.39Å; L54-K177 PolarHBondContact O-NZ 2.61Å
55	Y	98.5	Very high	97.4	Very high	17 Å²	17	43.7 Å²	43.7	7%	0.067	23%	0.229	C	C	.	.			trans	-89.1	155.5	168	52.3	-87.6	0	0	0	110.9	S57 V58 Y176 D198 I199	Y55-S57 VanDerWaalsContact C-N 3.3Å; Y55-S57 WeakPolarHBondContact CD2-OG 3.4Å; Y55-S57 PolarHBondContact O-N 2.82Å; Y55-V58 HydrophobicContact CD1-CG2 3.94Å; Y55-V58 HydrophobicContact CD2-CG2 3.55Å; Y55-V58 HydrophobicContact CE1-CG2 3.67Å; Y55-V58 HydrophobicContact CE2-CB 4.39Å; Y55-V58 HydrophobicContact CE2-CG2 3.24Å; Y55-V58 HydrophobicContact CG-CG2 3.87Å; Y55-V58 WeakPolarHBondContact O-CG2 3.41Å; Y55-V58 PolarHBondContact O-N 2.76Å; Y55-Y176 AromaticContact CD1-CD1 3.96Å; Y55-Y176 HydrophobicContact CD1-CD1 3.96Å; Y55-Y176 HydrophobicContact CD1-CE1 4.5Å; Y55-Y176 HydrophobicContact CD2-CD1 4.3Å; Y55-Y176 HydrophobicContact CD2-CE1 4.04Å; Y55-Y176 AromaticContact CG-CD1 3.62Å; Y55-Y176 HydrophobicContact CG-CD1 3.62Å; Y55-Y176 AromaticContact CG-CE1 3.81Å; Y55-Y176 HydrophobicContact CG-CE1 3.81Å; Y55-D198 HydrophobicContact CE2-CB 4.16Å; Y55-D198 WeakPolarHBondContact OH-CB 3.26Å; Y55-D198 PolarHBondContact OH-OD2 2.82Å; Y55-D198 VanDerWaalsContact OH-OD2 3.08Å; Y55-I199 HydrophobicContact CD1-CG1 4.5Å; Y55-I199 HydrophobicContact CE1-CG1 4.4Å
56	K	98.6	Very high	97.4	Very high	103 Å²	103	39.3 Å²	39.3	45%	0.448	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.3	-162.6	-178	65.7	179.2	-167.9	0	114	F43 N84 K177	F43-K56 HydrophobicContact CD1-CD 3.87Å; F43-K56 HydrophobicContact CD2-CD 4.4Å; F43-K56 HydrophobicContact CE1-CD 3.52Å; F43-K56 HydrophobicContact CE2-CB 3.88Å; F43-K56 HydrophobicContact CE2-CD 4.09Å; F43-K56 HydrophobicContact CG-CD 4.3Å; F43-K56 HydrophobicContact CZ-CB 3.97Å; F43-K56 HydrophobicContact CZ-CD 3.64Å; F43-K56 HydrophobicContact CZ-CG 4.38Å; K56-N84 PolarHBondContact O-ND2 2.7Å; K56-K177 PolarHBondContact N-O 2.73Å
57	S	98.4	Very high	97.5	Very high	56 Å²	56	32 Å²	32	39%	0.392	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.3	-171	51.4	0	0	0	0	115	Y55 V59 E202	Y55-S57 VanDerWaalsContact C-N 3.3Å; Y55-S57 WeakPolarHBondContact CD2-OG 3.4Å; Y55-S57 PolarHBondContact O-N 2.82Å; S57-V59 PolarHBondContact O-N 3.19Å; S57-E202 WeakPolarHBondContact CB-OE1 3.48Å; S57-E202 PolarHBondContact OG-OE1 3.14Å; S57-E202 PolarHBondContact OG-OE2 2.88Å
58	V	98.5	Very high	97.5	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.085	16%	0.159	C	C	.	.			trans	-56	126.3	-177.6	173.6	0	0	0	0	111.5	W41 L54 Y55 N84	W41-V58 HydrophobicContact CZ3-CG1 4.12Å; L54-V58 HydrophobicContact CD1-CB 4.12Å; L54-V58 HydrophobicContact CD1-CG1 4.1Å; L54-V58 HydrophobicContact CD1-CG2 3.73Å; L54-V58 HydrophobicContact CD2-CB 3.9Å; L54-V58 HydrophobicContact CD2-CG1 4.22Å; L54-V58 HydrophobicContact CD2-CG2 4.23Å; L54-V58 HydrophobicContact CG-CB 3.92Å; L54-V58 HydrophobicContact CG-CG1 4.37Å; L54-V58 HydrophobicContact CG-CG2 3.67Å; Y55-V58 HydrophobicContact CD1-CG2 3.94Å; Y55-V58 HydrophobicContact CD2-CG2 3.55Å; Y55-V58 HydrophobicContact CE1-CG2 3.67Å; Y55-V58 HydrophobicContact CE2-CB 4.39Å; Y55-V58 HydrophobicContact CE2-CG2 3.24Å; Y55-V58 HydrophobicContact CG-CG2 3.87Å; Y55-V58 WeakPolarHBondContact O-CG2 3.41Å; Y55-V58 PolarHBondContact O-N 2.76Å; V58-N84 PolarHBondContact O-N 3.44Å; V58-N84 PolarHBondContact O-ND2 3.17Å
59	V	98.2	Very high	97.7	Very high	50 Å²	50	26.5 Å²	26.5	30%	0.303	15%	0.146	S	C	.	.	B	Isolated β-bridge	trans	-115.3	152.5	165.3	-59.7	0	0	0	0	109.6	S57 V82 P83	S57-V59 PolarHBondContact O-N 3.19Å; V59-V82 CarbonylContact C-O 3.5Å; V59-V82 WeakPolarHBondContact CA-O 3.23Å; V59-P83 HydrophobicContact CG1-CB 4.28Å; V59-P83 HydrophobicContact CG1-CG 4.16Å
60	S	98.1	Very high	97.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	11%	0.108	C	C	.	.			trans	-57.4	146.8	178.3	72	0	0	0	0	111.5	S62 Y81 V82 R223	S60-S62 WeakPolarHBondContact CB-O 3.28Å; S60-S62 PolarHBondContact OG-O 3.47Å; S60-Y81 VanDerWaalsContact O-CD1 3.24Å; S60-Y81 WeakPolarHBondContact O-CD1 3.49Å; S60-Y81 WeakPolarHBondContact OG-CA 3.34Å; S60-V82 PolarHBondContact N-O 2.93Å; S60-V82 PolarHBondContact OG-N 3.48Å; S60-R223 PolarHBondContact O-NE 3.48Å
61	N	97.1	Very high	98.2	Very high	56 Å²	56	18.1 Å²	18.1	30%	0.299	10%	0.1	S	C	.	.	S	Bend	trans	-99.3	-6.5	172	65	-12.9	0	0	0	111.7	W231 L284	N61-W231 PolarHBondContact O-NE1 2.94Å; N61-L284 HydrophobicContact CB-CB 4.12Å; N61-L284 HydrophobicContact CB-CD1 3.73Å; N61-L284 WeakPolarHBondContact O-CD1 3.11Å
62	S	97.6	Very high	98.2	Very high	8 Å²	8	19 Å²	19	6%	0.056	10%	0.104	C	C	.	.	S	Bend	trans	-109.8	146.1	166.7	-55.8	0	0	0	0	111	S60 D232	S60-S62 WeakPolarHBondContact CB-O 3.28Å; S60-S62 PolarHBondContact OG-O 3.47Å; S62-D232 WeakPolarHBondContact CA-OD2 3.42Å; S62-D232 WeakPolarHBondContact CB-OD2 3.47Å
63	C	98	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.			trans	-66.3	149.4	179.6	170.8	0	0	0	0	112.4	E65 M66 S67 N80 Y81 P230 D232 M233	C63-E65 PolarHBondContact O-N 3.17Å; C63-M66 HydrophobicContact CB-CB 4.1Å; C63-M66 HydrophobicContact CB-CG 3.97Å; C63-M66 CarbonylContact O-C 3.57Å; C63-M66 WeakPolarHBondContact O-CA 3.45Å; C63-M66 PolarHBondContact O-N 3.02Å; C63-S67 WeakPolarHBondContact O-CB 3.38Å; C63-S67 PolarHBondContact O-N 2.99Å; C63-S67 PolarHBondContact O-OG 2.7Å; C63-N80 CarbonylContact C-O 3.54Å; C63-N80 WeakPolarHBondContact CA-O 3.44Å; C63-Y81 HydrophobicContact CB-CE1 4.46Å; C63-P230 HydrophobicContact CB-CB 3.64Å; C63-P230 HydrophobicContact CB-CG 4.25Å; C63-D232 WeakPolarHBondContact CB-OD1 3.4Å; C63-D232 PolarHBondContact N-OD2 3.03Å; C63-M233 HydrophobicContact CB-CG 4.25Å; C63-M233 PolarHBondContact SG-SD 3.48Å
64	K	98.1	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-51.7	-50.5	178.3	81	179.2	177.4	179.7	0	112.3	M66 S67 C68 F74 E76 Y78 N80 V82 R494	K64-M66 PolarHBondContact O-N 2.64Å; K64-M66 VanDerWaalsContact O-N 3.15Å; K64-S67 PolarHBondContact O-N 2.84Å; K64-C68 PolarHBondContact O-N 2.9Å; K64-F74 HydrophobicContact CB-CB 4.11Å; K64-F74 HydrophobicContact CB-CD2 3.72Å; K64-F74 HydrophobicContact CB-CE2 4.35Å; K64-F74 HydrophobicContact CB-CG 4.02Å; K64-F74 HydrophobicContact CD-CB 4.42Å; K64-F74 WeakPolarHBondContact O-CD2 3.23Å; K64-F74 WeakPolarHBondContact O-CE2 3.41Å; K64-E76 PolarHBondContact NZ-O 3.35Å; K64-Y78 WeakPolarHBondContact CD-O 3.17Å; K64-Y78 PolarHBondContact NZ-O 3.1Å; K64-N80 PolarHBondContact N-O 3.17Å; K64-V82 HydrophobicContact CB-CG1 4.35Å; K64-R494 WeakPolarHBondContact CE-O 3.25Å; K64-R494 PolarHBondContact NZ-O 3Å
65	E	98.4	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-72.4	-10.2	-178	-56.7	-64.3	148.9	0	0	112.8	C63 M233 S469 P470 Y471 Q491 R494	C63-E65 PolarHBondContact O-N 3.17Å; E65-M233 HydrophobicContact CB-CE 4.4Å; E65-S469 WeakPolarHBondContact O-CB 3.33Å; E65-P470 VanDerWaalsContact O-CD 3.23Å; E65-P470 WeakPolarHBondContact O-CD 3.4Å; E65-Y471 VanDerWaalsContact OE2-CE2 3.31Å; E65-Y471 WeakPolarHBondContact OE2-CE2 3.42Å; E65-Y471 PolarHBondContact OE2-OH 2.84Å; E65-Q491 HydrophobicContact CG-CB 4.47Å; E65-R494 VanDerWaalsContact OE1-CB 3.31Å; E65-R494 WeakPolarHBondContact OE1-CB 3.34Å; E65-R494 IonicContact OE1-CZ 3.17Å; E65-R494 IonicContact OE1-NE 2.6Å; E65-R494 PolarHBondContact OE1-NE 3.23Å; E65-R494 IonicContact OE2-CZ 3.41Å; E65-R494 IonicContact OE2-NE 2.87Å; E65-R494 PolarHBondContact OE2-NE 3.31Å; E65-R494 IonicContact OE2-NH2 3.69Å; E65-R494 PolarHBondContact OE2-NH2 3.42Å
66	M	98.5	Very high	98.4	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.025	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-106	-9	179.3	-60.8	-57.8	-68.1	0	0	113.2	C63 K64 D232 M233 M236 P467	C63-M66 HydrophobicContact CB-CB 4.1Å; C63-M66 HydrophobicContact CB-CG 3.97Å; C63-M66 CarbonylContact O-C 3.57Å; C63-M66 WeakPolarHBondContact O-CA 3.45Å; C63-M66 PolarHBondContact O-N 3.02Å; K64-M66 PolarHBondContact O-N 2.64Å; K64-M66 VanDerWaalsContact O-N 3.15Å; M66-D232 WeakPolarHBondContact CB-OD2 3.45Å; M66-D232 HydrophobicContact CG-CB 4.47Å; M66-M233 HydrophobicContact CG-CG 3.52Å; M66-M233 HydrophobicContact SD-CG 3.99Å; M66-M236 HydrophobicContact CE-CB 4.09Å; M66-P467 HydrophobicContact CE-CB 4.36Å; M66-P467 HydrophobicContact SD-CB 3.71Å
67	S	98.3	Very high	98.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.139	C	C	.	.	S	Bend	trans	-131.4	17.7	-170.4	61.6	0	0	0	0	114.6	C63 K64 S377 I379	C63-S67 WeakPolarHBondContact O-CB 3.38Å; C63-S67 PolarHBondContact O-N 2.99Å; C63-S67 PolarHBondContact O-OG 2.7Å; K64-S67 PolarHBondContact O-N 2.84Å; S67-S377 WeakPolarHBondContact CA-OG 3.24Å; S67-S377 WeakPolarHBondContact CB-OG 3.19Å; S67-I379 VanDerWaalsContact O-CB 3.27Å; S67-I379 WeakPolarHBondContact O-CB 3.49Å; S67-I379 WeakPolarHBondContact O-CG1 3.5Å; S67-I379 WeakPolarHBondContact O-CG2 3.35Å
68	C	98.8	Very high	98.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-89.3	162.9	171.3	62.9	0	0	0	0	112.1	K64 F74 Y90 I379 P470 Y471	K64-C68 PolarHBondContact O-N 2.9Å; C68-F74 HydrophobicContact CB-CD2 3.7Å; C68-F74 HydrophobicContact CB-CE2 3.84Å; C68-Y90 WeakPolarHBondContact CA-OH 3.42Å; C68-Y90 WeakPolarHBondContact CB-OH 3.44Å; C68-I379 VanDerWaalsContact C-CG2 3.47Å; C68-P470 WeakPolarHBondContact O-CG 3.37Å; C68-Y471 WeakPolarHBondContact SG-CE1 3.34Å; C68-Y471 VanDerWaalsContact SG-CZ 3.57Å; C68-Y471 PolarHBondContact SG-OH 3.19Å; C68-Y471 VanDerWaalsContact SG-OH 3.41Å
69	Y	98.9	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-61.3	144.1	161.4	-66.4	-67	0	0	0	110.1	V12 A16 D71 F72 Y90 L91 Y94 I379 E383	V12-Y69 WeakPolarHBondContact CA-OH 3.44Å; V12-Y69 HydrophobicContact CG1-CE1 4.47Å; V12-Y69 PolarHBondContact O-OH 2.81Å; A16-Y69 HydrophobicContact CB-CD1 4.5Å; A16-Y69 HydrophobicContact CB-CE1 3.68Å; Y69-D71 PolarHBondContact O-N 3.27Å; Y69-D71 VanDerWaalsContact O-N 3.11Å; Y69-F72 PolarHBondContact O-N 3.5Å; Y69-F72 VanDerWaalsContact O-N 3.07Å; Y69-Y90 AromaticContact CD2-CE1 3.9Å; Y69-Y90 HydrophobicContact CD2-CE1 3.9Å; Y69-Y90 AromaticContact CD2-CZ 3.98Å; Y69-Y90 WeakPolarHBondContact CD2-OH 3.41Å; Y69-Y90 HydrophobicContact CE2-CE1 4.2Å; Y69-Y90 PolarHBondContact N-OH 3.39Å; Y69-L91 HydrophobicContact CE2-CD2 3.92Å; Y69-Y94 HydrophobicContact CD1-CE2 4.24Å; Y69-Y94 AromaticContact CD2-CD1 3.85Å; Y69-Y94 HydrophobicContact CD2-CD1 3.85Å; Y69-Y94 AromaticContact CD2-CD2 3.28Å; Y69-Y94 HydrophobicContact CD2-CD2 3.28Å; Y69-Y94 AromaticContact CD2-CE1 3.91Å; Y69-Y94 HydrophobicContact CD2-CE1 3.91Å; Y69-Y94 AromaticContact CD2-CE2 3.34Å; Y69-Y94 HydrophobicContact CD2-CE2 3.34Å; Y69-Y94 AromaticContact CD2-CG 3.52Å; Y69-Y94 HydrophobicContact CD2-CG 3.52Å; Y69-Y94 AromaticContact CD2-CZ 3.65Å; Y69-Y94 HydrophobicContact CE1-CE1 4.39Å; Y69-Y94 AromaticContact CE2-CD1 3.54Å; Y69-Y94 HydrophobicContact CE2-CD1 3.54Å; Y69-Y94 AromaticContact CE2-CD2 3.89Å; Y69-Y94 HydrophobicContact CE2-CD2 3.89Å; Y69-Y94 AromaticContact CE2-CE1 3.72Å; Y69-Y94 HydrophobicContact CE2-CE1 3.72Å; Y69-Y94 HydrophobicContact CE2-CE2 4.04Å; Y69-Y94 AromaticContact CE2-CG 3.61Å; Y69-Y94 HydrophobicContact CE2-CG 3.61Å; Y69-Y94 AromaticContact CE2-CZ 3.94Å; Y69-Y94 AromaticContact CG-CD2 3.89Å; Y69-Y94 HydrophobicContact CG-CD2 3.89Å; Y69-Y94 HydrophobicContact CG-CE1 4.31Å; Y69-Y94 AromaticContact CG-CE2 3.45Å; Y69-Y94 HydrophobicContact CG-CE2 3.45Å; Y69-Y94 VanDerWaalsContact CG-CE2 3.45Å; Y69-Y94 HydrophobicContact CG-CG 4.46Å; Y69-Y94 AromaticContact CG-CZ 3.67Å; Y69-Y94 AromaticContact CZ-CE1 3.97Å; Y69-I379 HydrophobicContact CD1-CG2 3.64Å; Y69-I379 HydrophobicContact CD2-CG2 4.21Å; Y69-I379 HydrophobicContact CE1-CG2 3.75Å; Y69-I379 HydrophobicContact CE2-CG2 4.33Å; Y69-I379 HydrophobicContact CG-CG2 3.89Å; Y69-E383 HydrophobicContact CD1-CB 3.92Å; Y69-E383 HydrophobicContact CD1-CG 3.98Å; Y69-E383 HydrophobicContact CE1-CB 4.3Å
70	S	98.8	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.1	-168.2	55.4	0	0	0	0	115.7	E383 P470 Y471 R474	S70-E383 VanDerWaalsContact CB-OE2 3.25Å; S70-E383 WeakPolarHBondContact CB-OE2 3.43Å; S70-E383 PolarHBondContact N-OE2 3.28Å; S70-E383 PolarHBondContact OG-OE1 2.82Å; S70-E383 PolarHBondContact OG-OE2 2.94Å; S70-P470 WeakPolarHBondContact CB-O 3.45Å; S70-Y471 WeakPolarHBondContact O-CA 3.41Å; S70-R474 WeakPolarHBondContact OG-CD 3.27Å; S70-R474 WeakPolarHBondContact OG-CG 3.46Å; S70-R474 PolarHBondContact OG-NE 2.97Å
71	D	98.8	Very high	98.4	Very high	16 Å²	16	23.9 Å²	23.9	9%	0.086	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	17	174.4	59.5	-29.2	0	0	0	114	K19 Y69 F98 R474 W481	K19-D71 WeakPolarHBondContact CE-OD2 3.39Å; K19-D71 VanDerWaalsContact NZ-CG 3.27Å; K19-D71 IonicContact NZ-OD1 3.72Å; K19-D71 PolarHBondContact NZ-OD1 3.37Å; K19-D71 IonicContact NZ-OD2 2.67Å; K19-D71 PolarHBondContact NZ-OD2 2.89Å; Y69-D71 PolarHBondContact O-N 3.27Å; Y69-D71 VanDerWaalsContact O-N 3.11Å; D71-F98 WeakPolarHBondContact OD2-CZ 3.29Å; D71-R474 IonicContact OD1-CZ 3.94Å; D71-R474 IonicContact OD1-NE 3.85Å; D71-R474 IonicContact OD2-CZ 2.64Å; D71-W481 HydrophobicContact CB-CB 3.88Å; D71-W481 HydrophobicContact CB-CD2 3.9Å; D71-W481 HydrophobicContact CB-CE3 4.25Å; D71-W481 HydrophobicContact CB-CG 3.72Å
72	F	98.8	Very high	98.4	Very high	32 Å²	32	21.2 Å²	21.2	14%	0.14	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-146	85.7	-179	-162.2	-108.9	0	0	0	110.7	Y69 Y90 M93 Y94 H97 F98	Y69-F72 PolarHBondContact O-N 3.5Å; Y69-F72 VanDerWaalsContact O-N 3.07Å; F72-Y90 HydrophobicContact CD1-CD2 4.22Å; F72-Y90 AromaticContact CD1-CE2 3.48Å; F72-Y90 HydrophobicContact CD1-CE2 3.48Å; F72-Y90 VanDerWaalsContact CD1-CE2 3.48Å; F72-Y90 AromaticContact CD1-CZ 3.94Å; F72-Y90 HydrophobicContact CE1-CD2 4.19Å; F72-Y90 AromaticContact CE1-CE2 3.9Å; F72-Y90 HydrophobicContact CE1-CE2 3.9Å; F72-Y90 WeakPolarHBondContact O-CE2 3.48Å; F72-Y90 PolarHBondContact O-OH 3.1Å; F72-M93 HydrophobicContact CE1-CB 3.92Å; F72-M93 HydrophobicContact CZ-CB 4.01Å; F72-Y94 HydrophobicContact CB-CD2 3.76Å; F72-Y94 HydrophobicContact CB-CE2 4.04Å; F72-Y94 AromaticContact CD1-CD2 3.69Å; F72-Y94 HydrophobicContact CD1-CD2 3.69Å; F72-Y94 HydrophobicContact CD1-CG 4.35Å; F72-Y94 HydrophobicContact CE1-CD2 4.49Å; F72-Y94 AromaticContact CG-CD2 3.81Å; F72-Y94 HydrophobicContact CG-CD2 3.81Å; F72-H97 AromaticContact CD2-CD2 3.97Å; F72-H97 HydrophobicContact CE2-CB 3.79Å; F72-H97 AromaticContact CE2-CD2 3.85Å; F72-H97 AromaticContact CE2-CG 3.55Å; F72-H97 AromaticContact CE2-ND1 3.87Å; F72-H97 HydrophobicContact CZ-CB 4.05Å; F72-F98 HydrophobicContact CB-CE2 4.08Å; F72-F98 HydrophobicContact CD2-CE2 4.09Å; F72-F98 HydrophobicContact CG-CE2 4.18Å
73	P	98.7	Very high	98.5	Very high	38 Å²	38	22.7 Å²	22.7	25%	0.247	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-62.2	155.4	179	28	-35.4	0	0	0	111.3	Y471 W481	P73-Y471 HydrophobicContact CB-CE1 3.84Å; P73-Y471 VanDerWaalsContact CB-OH 3.31Å; P73-Y471 WeakPolarHBondContact CB-OH 3.47Å; P73-W481 HydrophobicContact CG-CH2 4.41Å
74	F	98.8	Very high	98.5	Very high	3 Å²	3	23 Å²	23	1%	0.013	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-62.1	155.1	166.2	-77.4	-87	0	0	0	110.8	K64 C68 Y78 V82 F87 Y90	K64-F74 HydrophobicContact CB-CB 4.11Å; K64-F74 HydrophobicContact CB-CD2 3.72Å; K64-F74 HydrophobicContact CB-CE2 4.35Å; K64-F74 HydrophobicContact CB-CG 4.02Å; K64-F74 HydrophobicContact CD-CB 4.42Å; K64-F74 WeakPolarHBondContact O-CD2 3.23Å; K64-F74 WeakPolarHBondContact O-CE2 3.41Å; C68-F74 HydrophobicContact CB-CD2 3.7Å; C68-F74 HydrophobicContact CB-CE2 3.84Å; F74-Y78 HydrophobicContact CB-CD2 4.44Å; F74-Y78 AromaticContact CD1-CD2 3.66Å; F74-Y78 HydrophobicContact CD1-CD2 3.66Å; F74-Y78 HydrophobicContact CD1-CE2 4.05Å; F74-Y78 HydrophobicContact CE1-CD2 4.43Å; F74-Y78 HydrophobicContact CG-CD2 4.47Å; F74-V82 HydrophobicContact CD1-CG1 4.42Å; F74-V82 HydrophobicContact CE1-CG1 4.38Å; F74-V82 HydrophobicContact CE1-CG2 4.17Å; F74-V82 HydrophobicContact CZ-CG2 4.32Å; F74-F87 HydrophobicContact CZ-CE1 4.32Å; F74-F87 HydrophobicContact CZ-CE2 4.09Å; F74-F87 AromaticContact CZ-CZ 3.93Å; F74-F87 HydrophobicContact CZ-CZ 3.93Å; F74-Y90 HydrophobicContact CB-CD2 4.49Å; F74-Y90 HydrophobicContact CD1-CD1 4.09Å; F74-Y90 AromaticContact CD1-CD2 3.4Å; F74-Y90 HydrophobicContact CD1-CD2 3.4Å; F74-Y90 VanDerWaalsContact CD1-CD2 3.4Å; F74-Y90 HydrophobicContact CD1-CE2 4.01Å; F74-Y90 AromaticContact CD1-CG 3.44Å; F74-Y90 HydrophobicContact CD1-CG 3.44Å; F74-Y90 VanDerWaalsContact CD1-CG 3.44Å; F74-Y90 HydrophobicContact CD2-CE2 4.37Å; F74-Y90 VanDerWaalsContact CE1-CB 3.45Å; F74-Y90 AromaticContact CE1-CD1 3.44Å; F74-Y90 HydrophobicContact CE1-CD1 3.44Å; F74-Y90 VanDerWaalsContact CE1-CD1 3.44Å; F74-Y90 AromaticContact CE1-CD2 3.68Å; F74-Y90 HydrophobicContact CE1-CD2 3.68Å; F74-Y90 HydrophobicContact CE1-CE1 4.08Å; F74-Y90 HydrophobicContact CE1-CE2 4.27Å; F74-Y90 AromaticContact CE1-CG 3.2Å; F74-Y90 HydrophobicContact CE1-CG 3.2Å; F74-Y90 HydrophobicContact CE2-CD1 4.48Å; F74-Y90 HydrophobicContact CE2-CE1 4.35Å; F74-Y90 AromaticContact CG-CD2 3.91Å; F74-Y90 HydrophobicContact CG-CD2 3.91Å; F74-Y90 HydrophobicContact CG-CE2 4.08Å; F74-Y90 HydrophobicContact CG-CG 4.31Å; F74-Y90 AromaticContact CZ-CD1 3.67Å; F74-Y90 HydrophobicContact CZ-CD1 3.67Å; F74-Y90 HydrophobicContact CZ-CD2 4.35Å; F74-Y90 AromaticContact CZ-CE1 3.92Å; F74-Y90 HydrophobicContact CZ-CE1 3.92Å; F74-Y90 AromaticContact CZ-CG 3.91Å; F74-Y90 HydrophobicContact CZ-CG 3.91Å
75	P	98.6	Very high	98.5	Very high	32 Å²	32	26.6 Å²	26.6	21%	0.208	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-52.6	145.7	170.9	-26.3	35.5	0	0	0	112.4	D77 Y78 M93	P75-D77 WeakPolarHBondContact CB-OD1 3.47Å; P75-D77 PolarHBondContact O-N 3.35Å; P75-Y78 HydrophobicContact CB-CD1 3.69Å; P75-Y78 HydrophobicContact CB-CE1 4.01Å; P75-Y78 HydrophobicContact CB-CG 4.15Å; P75-Y78 HydrophobicContact CG-CD1 3.87Å; P75-Y78 HydrophobicContact CG-CD2 4.42Å; P75-Y78 HydrophobicContact CG-CE1 3.77Å; P75-Y78 HydrophobicContact CG-CE2 4.28Å; P75-Y78 HydrophobicContact CG-CG 4.22Å; P75-Y78 WeakPolarHBondContact O-CB 3.44Å; P75-Y78 PolarHBondContact O-N 3.42Å; P75-Y78 VanDerWaalsContact O-N 3.17Å; P75-M93 HydrophobicContact CG-CE 4.18Å; P75-M93 HydrophobicContact CG-SD 3.82Å
76	E	97.9	Very high	98.5	Very high	91 Å²	91	29.1 Å²	29.1	43%	0.425	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.6	-174.4	-58.4	-165	158	0	0	112.9	K64 Y78 R494 K497 V498	K64-E76 PolarHBondContact NZ-O 3.35Å; E76-Y78 VanDerWaalsContact C-N 3.32Å; E76-R494 HydrophobicContact CB-CG 4.41Å; E76-R494 HydrophobicContact CG-CG 3.95Å; E76-K497 HydrophobicContact CB-CD 4.17Å; E76-K497 IonicContact OE2-NZ 2.7Å; E76-K497 PolarHBondContact OE2-NZ 2.94Å; E76-V498 WeakPolarHBondContact O-CG1 3.43Å
77	D	97.6	Very high	98.5	Very high	117 Å²	117	29 Å²	29	63%	0.626	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.4	180	63.9	-49.8	0	0	0	113.7	P75	P75-D77 WeakPolarHBondContact CB-OD1 3.47Å; P75-D77 PolarHBondContact O-N 3.35Å
78	Y	98.4	Very high	98.6	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.02	17%	0.166	C	C	.	.	S	Bend	trans	-70.7	140.9	176	-85.8	29.7	0	0	0	112	K64 F74 P75 E76 V82 Q86 E89 V498	K64-Y78 WeakPolarHBondContact CD-O 3.17Å; K64-Y78 PolarHBondContact NZ-O 3.1Å; F74-Y78 HydrophobicContact CB-CD2 4.44Å; F74-Y78 AromaticContact CD1-CD2 3.66Å; F74-Y78 HydrophobicContact CD1-CD2 3.66Å; F74-Y78 HydrophobicContact CD1-CE2 4.05Å; F74-Y78 HydrophobicContact CE1-CD2 4.43Å; F74-Y78 HydrophobicContact CG-CD2 4.47Å; P75-Y78 HydrophobicContact CB-CD1 3.69Å; P75-Y78 HydrophobicContact CB-CE1 4.01Å; P75-Y78 HydrophobicContact CB-CG 4.15Å; P75-Y78 HydrophobicContact CG-CD1 3.87Å; P75-Y78 HydrophobicContact CG-CD2 4.42Å; P75-Y78 HydrophobicContact CG-CE1 3.77Å; P75-Y78 HydrophobicContact CG-CE2 4.28Å; P75-Y78 HydrophobicContact CG-CG 4.22Å; P75-Y78 WeakPolarHBondContact O-CB 3.44Å; P75-Y78 PolarHBondContact O-N 3.42Å; P75-Y78 VanDerWaalsContact O-N 3.17Å; E76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-V82 HydrophobicContact CD2-CG1 3.99Å; Y78-Q86 HydrophobicContact CD2-CB 4.16Å; Y78-Q86 HydrophobicContact CE1-CG 4.49Å; Y78-Q86 HydrophobicContact CE2-CB 3.68Å; Y78-Q86 HydrophobicContact CE2-CG 4.38Å; Y78-Q86 VanDerWaalsContact CE2-O 3.31Å; Y78-Q86 WeakPolarHBondContact CE2-O 3.39Å; Y78-Q86 PolarHBondContact OH-O 2.71Å; Y78-E89 WeakPolarHBondContact OH-CB 3.37Å; Y78-E89 WeakPolarHBondContact OH-CG 3.38Å; Y78-E89 PolarHBondContact OH-OE2 3.37Å; Y78-V498 WeakPolarHBondContact O-CG1 3.42Å
79	P	98.4	Very high	98.6	Very high	44 Å²	44	34.8 Å²	34.8	29%	0.286	19%	0.188	S	C	.	.			trans	-62.2	156.3	176.3	29.4	-35.9	0	0	0	110.9	Y81 V82	P79-Y81 WeakPolarHBondContact CG-O 3.21Å; P79-Y81 PolarHBondContact O-N 2.95Å; P79-V82 HydrophobicContact CG-CG1 4.41Å; P79-V82 VanDerWaalsContact O-CG1 3.28Å; P79-V82 WeakPolarHBondContact O-CG1 3.48Å
80	N	98.5	Very high	98.6	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-61.7	-29.5	-180	-71.9	-34.6	0	0	0	113	C63 K64 P230 T495	C63-N80 CarbonylContact C-O 3.54Å; C63-N80 WeakPolarHBondContact CA-O 3.44Å; K64-N80 PolarHBondContact N-O 3.17Å; N80-P230 HydrophobicContact CB-CG 4.21Å; N80-T495 PolarHBondContact ND2-O 2.97Å; N80-T495 WeakPolarHBondContact OD1-CA 3.27Å; N80-T495 PolarHBondContact OD1-O 2.93Å
81	Y	98.6	Very high	98.6	Very high	36 Å²	36	34.8 Å²	34.8	14%	0.141	19%	0.188	C	C	.	.	S	Bend	trans	-119.6	116.3	171	-66.5	-84	0	0	0	108	S60 C63 P79 R223 P230 W231	S60-Y81 VanDerWaalsContact O-CD1 3.24Å; S60-Y81 WeakPolarHBondContact O-CD1 3.49Å; S60-Y81 WeakPolarHBondContact OG-CA 3.34Å; C63-Y81 HydrophobicContact CB-CE1 4.46Å; P79-Y81 WeakPolarHBondContact CG-O 3.21Å; P79-Y81 PolarHBondContact O-N 2.95Å; Y81-R223 HydrophobicContact CD1-CG 4.13Å; Y81-R223 HydrophobicContact CD2-CB 3.98Å; Y81-R223 HydrophobicContact CD2-CG 4.36Å; Y81-R223 HydrophobicContact CE1-CB 4.15Å; Y81-R223 HydrophobicContact CE1-CG 3.93Å; Y81-R223 HydrophobicContact CE2-CB 3.57Å; Y81-R223 HydrophobicContact CE2-CG 4.2Å; Y81-R223 HydrophobicContact CG-CB 4.45Å; Y81-R223 HydrophobicContact CG-CG 4.33Å; Y81-R223 PolarHBondContact OH-O 3.28Å; Y81-P230 HydrophobicContact CE2-CB 3.98Å; Y81-P230 HydrophobicContact CE2-CG 4.4Å; Y81-P230 VanDerWaalsContact OH-CA 3.26Å; Y81-P230 WeakPolarHBondContact OH-CA 3.47Å; Y81-P230 VanDerWaalsContact OH-CB 3.28Å; Y81-P230 WeakPolarHBondContact OH-CB 3.34Å; Y81-W231 VanDerWaalsContact OH-CD1 3.23Å; Y81-W231 PolarHBondContact OH-N 2.95Å; Y81-W231 VanDerWaalsContact OH-N 3.14Å
82	V	98.5	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.			trans	-94.7	130.2	-164.5	-57.7	0	0	0	0	110.6	V59 S60 K64 F74 Y78 P79 F87	V59-V82 CarbonylContact C-O 3.5Å; V59-V82 WeakPolarHBondContact CA-O 3.23Å; S60-V82 PolarHBondContact N-O 2.93Å; S60-V82 PolarHBondContact OG-N 3.48Å; K64-V82 HydrophobicContact CB-CG1 4.35Å; F74-V82 HydrophobicContact CD1-CG1 4.42Å; F74-V82 HydrophobicContact CE1-CG1 4.38Å; F74-V82 HydrophobicContact CE1-CG2 4.17Å; F74-V82 HydrophobicContact CZ-CG2 4.32Å; Y78-V82 HydrophobicContact CD2-CG1 3.99Å; P79-V82 HydrophobicContact CG-CG1 4.41Å; P79-V82 VanDerWaalsContact O-CG1 3.28Å; P79-V82 WeakPolarHBondContact O-CG1 3.48Å; V82-F87 HydrophobicContact CG2-CB 4Å; V82-F87 HydrophobicContact CG2-CD2 3.24Å; V82-F87 HydrophobicContact CG2-CE2 3.86Å; V82-F87 HydrophobicContact CG2-CG 3.92Å
83	P	98.7	Very high	98.6	Very high	39 Å²	39	39.7 Å²	39.7	25%	0.253	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-59.5	154.9	168.7	-21.8	32.8	0	0	0	112	V59 S85 Q86 F87	V59-P83 HydrophobicContact CG1-CB 4.28Å; V59-P83 HydrophobicContact CG1-CG 4.16Å; P83-S85 PolarHBondContact O-N 2.87Å; P83-S85 VanDerWaalsContact O-N 3.13Å; P83-Q86 VanDerWaalsContact CD-OE1 3.27Å; P83-Q86 PolarHBondContact O-N 3.24Å; P83-Q86 VanDerWaalsContact O-N 3.13Å; P83-F87 PolarHBondContact O-N 3.42Å
84	N	98.3	Very high	98.6	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.043	20%	0.198	C	C	.	.	H	α-helix	trans	-54.1	-34.3	179.9	61.9	85	0	0	0	114.4	W41 F43 L54 K56 V58 F87 L88	W41-N84 HydrophobicContact CE3-CB 3.97Å; W41-N84 HydrophobicContact CZ3-CB 4.26Å; F43-N84 WeakPolarHBondContact CB-OD1 3.49Å; L54-N84 HydrophobicContact CD2-CB 3.37Å; K56-N84 PolarHBondContact O-ND2 2.7Å; V58-N84 PolarHBondContact O-N 3.44Å; V58-N84 PolarHBondContact O-ND2 3.17Å; N84-F87 PolarHBondContact O-N 3.07Å; N84-L88 PolarHBondContact O-N 2.9Å
85	S	98.3	Very high	98.6	Very high	75 Å²	75	37.7 Å²	37.7	52%	0.524	20%	0.198	S	C	.	.	H	α-helix	trans	-63.5	-49.9	176.6	51.9	0	0	0	0	112.5	P83 F87 L88 E89	P83-S85 PolarHBondContact O-N 2.87Å; P83-S85 VanDerWaalsContact O-N 3.13Å; S85-F87 VanDerWaalsContact C-N 3.33Å; S85-L88 PolarHBondContact O-N 2.6Å; S85-E89 PolarHBondContact O-N 3.32Å; S85-E89 VanDerWaalsContact O-N 3.1Å
86	Q	98.8	Very high	98.6	Very high	52 Å²	52	41.8 Å²	41.8	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-34.7	175.9	-74.2	-174.4	-48.2	0	0	111.3	Y78 P83 L88 E89 Y90	Y78-Q86 HydrophobicContact CD2-CB 4.16Å; Y78-Q86 HydrophobicContact CE1-CG 4.49Å; Y78-Q86 HydrophobicContact CE2-CB 3.68Å; Y78-Q86 HydrophobicContact CE2-CG 4.38Å; Y78-Q86 VanDerWaalsContact CE2-O 3.31Å; Y78-Q86 WeakPolarHBondContact CE2-O 3.39Å; Y78-Q86 PolarHBondContact OH-O 2.71Å; P83-Q86 VanDerWaalsContact CD-OE1 3.27Å; P83-Q86 PolarHBondContact O-N 3.24Å; P83-Q86 VanDerWaalsContact O-N 3.13Å; Q86-L88 PolarHBondContact O-N 3.48Å; Q86-E89 PolarHBondContact O-N 3.28Å; Q86-Y90 PolarHBondContact O-N 3.39Å
87	F	98.8	Very high	98.6	Very high	3 Å²	3	43 Å²	43	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-47.9	173.8	-149.5	-55.9	0	0	0	111	W41 F74 V82 P83 N84 S85 E89 Y90 L91 I379	W41-F87 HydrophobicContact CB-CB 4.5Å; W41-F87 HydrophobicContact CB-CD1 4.29Å; W41-F87 AromaticContact CD1-CD1 3.84Å; W41-F87 HydrophobicContact CD2-CB 3.87Å; W41-F87 AromaticContact CD2-CD1 3.71Å; W41-F87 HydrophobicContact CD2-CD1 3.71Å; W41-F87 AromaticContact CD2-CD2 3.8Å; W41-F87 HydrophobicContact CD2-CD2 3.8Å; W41-F87 HydrophobicContact CD2-CE1 4.33Å; W41-F87 HydrophobicContact CD2-CE2 4.4Å; W41-F87 AromaticContact CD2-CG 3.48Å; W41-F87 HydrophobicContact CD2-CG 3.48Å; W41-F87 VanDerWaalsContact CD2-CG 3.48Å; W41-F87 AromaticContact CE2-CD1 3.88Å; W41-F87 AromaticContact CE2-CD2 3.65Å; W41-F87 AromaticContact CE2-CE2 3.82Å; W41-F87 AromaticContact CE2-CG 3.75Å; W41-F87 HydrophobicContact CE3-CB 3.55Å; W41-F87 HydrophobicContact CE3-CD1 4.28Å; W41-F87 AromaticContact CE3-CD2 3.78Å; W41-F87 HydrophobicContact CE3-CD2 3.78Å; W41-F87 AromaticContact CE3-CG 3.58Å; W41-F87 HydrophobicContact CE3-CG 3.58Å; W41-F87 HydrophobicContact CG-CB 4.3Å; W41-F87 AromaticContact CG-CD1 3.7Å; W41-F87 HydrophobicContact CG-CD1 3.7Å; W41-F87 HydrophobicContact CG-CE1 4.32Å; W41-F87 AromaticContact CG-CG 3.95Å; W41-F87 HydrophobicContact CG-CG 3.95Å; W41-F87 AromaticContact CH2-CD2 3.51Å; W41-F87 HydrophobicContact CH2-CD2 3.51Å; W41-F87 AromaticContact CH2-CE2 3.93Å; W41-F87 HydrophobicContact CH2-CE2 3.93Å; W41-F87 HydrophobicContact CH2-CG 4.19Å; W41-F87 AromaticContact CZ2-CD2 3.53Å; W41-F87 HydrophobicContact CZ2-CD2 3.53Å; W41-F87 AromaticContact CZ2-CE2 3.57Å; W41-F87 HydrophobicContact CZ2-CE2 3.57Å; W41-F87 HydrophobicContact CZ2-CG 4.12Å; W41-F87 HydrophobicContact CZ2-CZ 4.15Å; W41-F87 HydrophobicContact CZ3-CB 4.02Å; W41-F87 AromaticContact CZ3-CD2 3.63Å; W41-F87 HydrophobicContact CZ3-CD2 3.63Å; W41-F87 HydrophobicContact CZ3-CE2 4.48Å; W41-F87 AromaticContact CZ3-CG 3.93Å; W41-F87 HydrophobicContact CZ3-CG 3.93Å; W41-F87 AromaticContact NE1-CD1 3.93Å; W41-F87 AromaticContact NE1-CE1 3.82Å; F74-F87 HydrophobicContact CZ-CE1 4.32Å; F74-F87 HydrophobicContact CZ-CE2 4.09Å; F74-F87 AromaticContact CZ-CZ 3.93Å; F74-F87 HydrophobicContact CZ-CZ 3.93Å; V82-F87 HydrophobicContact CG2-CB 4Å; V82-F87 HydrophobicContact CG2-CD2 3.24Å; V82-F87 HydrophobicContact CG2-CE2 3.86Å; V82-F87 HydrophobicContact CG2-CG 3.92Å; P83-F87 PolarHBondContact O-N 3.42Å; N84-F87 PolarHBondContact O-N 3.07Å; S85-F87 VanDerWaalsContact C-N 3.33Å; F87-E89 VanDerWaalsContact C-N 3.31Å; F87-E89 PolarHBondContact O-N 3.29Å; F87-Y90 HydrophobicContact CE1-CD1 4.36Å; F87-Y90 WeakPolarHBondContact O-CB 3.4Å; F87-Y90 PolarHBondContact O-N 3.42Å; F87-L91 HydrophobicContact CD1-CD1 4.15Å; F87-L91 HydrophobicContact CD1-CG 4.09Å; F87-L91 HydrophobicContact CE1-CD1 4.4Å; F87-L91 HydrophobicContact CE1-CD2 4.19Å; F87-L91 HydrophobicContact CE1-CG 4.23Å; F87-L91 WeakPolarHBondContact O-CG 3.33Å; F87-L91 PolarHBondContact O-N 3.43Å; F87-L91 VanDerWaalsContact O-N 3.07Å; F87-I379 HydrophobicContact CE1-CD1 3.33Å; F87-I379 HydrophobicContact CE1-CG1 4.31Å; F87-I379 HydrophobicContact CZ-CD1 3.36Å; F87-I379 HydrophobicContact CZ-CG1 3.89Å
88	L	98.8	Very high	98.7	Very high	26 Å²	26	39.8 Å²	39.8	14%	0.136	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-42.2	176	179.6	64.7	0	0	0	111.9	R42 N84 S85 Q86 Y90 L91 K92	R42-L88 HydrophobicContact CB-CD1 3.95Å; R42-L88 HydrophobicContact CB-CD2 4.18Å; R42-L88 HydrophobicContact CG-CD1 4.37Å; R42-L88 HydrophobicContact CG-CD2 3.9Å; N84-L88 PolarHBondContact O-N 2.9Å; S85-L88 PolarHBondContact O-N 2.6Å; Q86-L88 PolarHBondContact O-N 3.48Å; L88-Y90 PolarHBondContact O-N 3.03Å; L88-L91 PolarHBondContact O-N 3.26Å; L88-K92 HydrophobicContact CG-CD 4.42Å; L88-K92 WeakPolarHBondContact O-CG 3.5Å; L88-K92 PolarHBondContact O-N 2.99Å
89	E	98.8	Very high	98.7	Very high	96 Å²	96	43.7 Å²	43.7	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-45.6	176.8	-175.8	-178.1	-168.6	0	0	111.4	Y78 S85 Q86 F87 L91 K92 M93	Y78-E89 WeakPolarHBondContact OH-CB 3.37Å; Y78-E89 WeakPolarHBondContact OH-CG 3.38Å; Y78-E89 PolarHBondContact OH-OE2 3.37Å; S85-E89 PolarHBondContact O-N 3.32Å; S85-E89 VanDerWaalsContact O-N 3.1Å; Q86-E89 PolarHBondContact O-N 3.28Å; F87-E89 VanDerWaalsContact C-N 3.31Å; F87-E89 PolarHBondContact O-N 3.29Å; E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 2.92Å; E89-K92 CarbonylContact O-C 3.6Å; E89-K92 WeakPolarHBondContact O-CB 3.42Å; E89-K92 PolarHBondContact O-N 3.16Å; E89-K92 VanDerWaalsContact O-N 3.1Å; E89-M93 HydrophobicContact CG-CE 3.83Å; E89-M93 WeakPolarHBondContact O-CG 3.37Å; E89-M93 PolarHBondContact O-N 3.49Å; E89-M93 WeakPolarHBondContact OE1-CE 3.35Å
90	Y	98.9	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-42.2	172.8	167.8	-99.4	0	0	0	112.9	C68 Y69 F72 F74 Q86 F87 L88 K92 M93 Y94	C68-Y90 WeakPolarHBondContact CA-OH 3.42Å; C68-Y90 WeakPolarHBondContact CB-OH 3.44Å; Y69-Y90 AromaticContact CD2-CE1 3.9Å; Y69-Y90 HydrophobicContact CD2-CE1 3.9Å; Y69-Y90 AromaticContact CD2-CZ 3.98Å; Y69-Y90 WeakPolarHBondContact CD2-OH 3.41Å; Y69-Y90 HydrophobicContact CE2-CE1 4.2Å; Y69-Y90 PolarHBondContact N-OH 3.39Å; F72-Y90 HydrophobicContact CD1-CD2 4.22Å; F72-Y90 AromaticContact CD1-CE2 3.48Å; F72-Y90 HydrophobicContact CD1-CE2 3.48Å; F72-Y90 VanDerWaalsContact CD1-CE2 3.48Å; F72-Y90 AromaticContact CD1-CZ 3.94Å; F72-Y90 HydrophobicContact CE1-CD2 4.19Å; F72-Y90 AromaticContact CE1-CE2 3.9Å; F72-Y90 HydrophobicContact CE1-CE2 3.9Å; F72-Y90 WeakPolarHBondContact O-CE2 3.48Å; F72-Y90 PolarHBondContact O-OH 3.1Å; F74-Y90 HydrophobicContact CB-CD2 4.49Å; F74-Y90 HydrophobicContact CD1-CD1 4.09Å; F74-Y90 AromaticContact CD1-CD2 3.4Å; F74-Y90 HydrophobicContact CD1-CD2 3.4Å; F74-Y90 VanDerWaalsContact CD1-CD2 3.4Å; F74-Y90 HydrophobicContact CD1-CE2 4.01Å; F74-Y90 AromaticContact CD1-CG 3.44Å; F74-Y90 HydrophobicContact CD1-CG 3.44Å; F74-Y90 VanDerWaalsContact CD1-CG 3.44Å; F74-Y90 HydrophobicContact CD2-CE2 4.37Å; F74-Y90 VanDerWaalsContact CE1-CB 3.45Å; F74-Y90 AromaticContact CE1-CD1 3.44Å; F74-Y90 HydrophobicContact CE1-CD1 3.44Å; F74-Y90 VanDerWaalsContact CE1-CD1 3.44Å; F74-Y90 AromaticContact CE1-CD2 3.68Å; F74-Y90 HydrophobicContact CE1-CD2 3.68Å; F74-Y90 HydrophobicContact CE1-CE1 4.08Å; F74-Y90 HydrophobicContact CE1-CE2 4.27Å; F74-Y90 AromaticContact CE1-CG 3.2Å; F74-Y90 HydrophobicContact CE1-CG 3.2Å; F74-Y90 HydrophobicContact CE2-CD1 4.48Å; F74-Y90 HydrophobicContact CE2-CE1 4.35Å; F74-Y90 AromaticContact CG-CD2 3.91Å; F74-Y90 HydrophobicContact CG-CD2 3.91Å; F74-Y90 HydrophobicContact CG-CE2 4.08Å; F74-Y90 HydrophobicContact CG-CG 4.31Å; F74-Y90 AromaticContact CZ-CD1 3.67Å; F74-Y90 HydrophobicContact CZ-CD1 3.67Å; F74-Y90 HydrophobicContact CZ-CD2 4.35Å; F74-Y90 AromaticContact CZ-CE1 3.92Å; F74-Y90 HydrophobicContact CZ-CE1 3.92Å; F74-Y90 AromaticContact CZ-CG 3.91Å; F74-Y90 HydrophobicContact CZ-CG 3.91Å; Q86-Y90 PolarHBondContact O-N 3.39Å; F87-Y90 HydrophobicContact CE1-CD1 4.36Å; F87-Y90 WeakPolarHBondContact O-CB 3.4Å; F87-Y90 PolarHBondContact O-N 3.42Å; L88-Y90 PolarHBondContact O-N 3.03Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.12Å; Y90-M93 WeakPolarHBondContact O-CB 3.29Å; Y90-M93 PolarHBondContact O-N 2.73Å; Y90-Y94 PolarHBondContact O-N 2.86Å
91	L	98.9	Very high	98.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-37	176.5	-64.5	178.7	0	0	0	112.2	V12 L15 L37 W41 Y69 F87 L88 E89 Y94 A95 I379	V12-L91 HydrophobicContact CG2-CD1 3.92Å; V12-L91 HydrophobicContact CG2-CD2 4.11Å; L15-L91 HydrophobicContact CD1-CB 4Å; L15-L91 HydrophobicContact CD1-CD2 4.28Å; L37-L91 HydrophobicContact CD1-CB 4.01Å; W41-L91 HydrophobicContact CB-CD1 4.05Å; W41-L91 HydrophobicContact CG-CD1 4.35Å; Y69-L91 HydrophobicContact CE2-CD2 3.92Å; F87-L91 HydrophobicContact CD1-CD1 4.15Å; F87-L91 HydrophobicContact CD1-CG 4.09Å; F87-L91 HydrophobicContact CE1-CD1 4.4Å; F87-L91 HydrophobicContact CE1-CD2 4.19Å; F87-L91 HydrophobicContact CE1-CG 4.23Å; F87-L91 WeakPolarHBondContact O-CG 3.33Å; F87-L91 PolarHBondContact O-N 3.43Å; F87-L91 VanDerWaalsContact O-N 3.07Å; L88-L91 PolarHBondContact O-N 3.26Å; E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 2.92Å; L91-Y94 PolarHBondContact O-N 3.46Å; L91-A95 WeakPolarHBondContact O-CB 3.37Å; L91-A95 PolarHBondContact O-N 3.11Å; L91-I379 HydrophobicContact CD2-CD1 4.14Å
92	K	98.9	Very high	98.7	Very high	85 Å²	85	49 Å²	49	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-39.9	173.4	-70.5	-178.4	176.1	-168.2	0	111.6	D36 L37 L88 E89 Y90 A95 N96	D36-K92 WeakPolarHBondContact OD2-CE 3.21Å; D36-K92 IonicContact OD2-NZ 3.96Å; D36-K92 PolarHBondContact OD2-NZ 3.25Å; L37-K92 HydrophobicContact CD1-CG 4.06Å; L37-K92 HydrophobicContact CD2-CG 4.29Å; L37-K92 HydrophobicContact CG-CG 4.35Å; L88-K92 HydrophobicContact CG-CD 4.42Å; L88-K92 WeakPolarHBondContact O-CG 3.5Å; L88-K92 PolarHBondContact O-N 2.99Å; E89-K92 CarbonylContact O-C 3.6Å; E89-K92 WeakPolarHBondContact O-CB 3.42Å; E89-K92 PolarHBondContact O-N 3.16Å; E89-K92 VanDerWaalsContact O-N 3.1Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K92 PolarHBondContact O-N 3.12Å; K92-A95 PolarHBondContact O-N 2.87Å; K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 PolarHBondContact O-N 2.7Å
93	M	98.9	Very high	98.7	Very high	66 Å²	66	50.8 Å²	50.8	33%	0.325	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-46.7	172.9	-70.3	173.1	174.4	0	0	110.9	F72 P75 E89 Y90 N96 H97	F72-M93 HydrophobicContact CE1-CB 3.92Å; F72-M93 HydrophobicContact CZ-CB 4.01Å; P75-M93 HydrophobicContact CG-CE 4.18Å; P75-M93 HydrophobicContact CG-SD 3.82Å; E89-M93 HydrophobicContact CG-CE 3.83Å; E89-M93 WeakPolarHBondContact O-CG 3.37Å; E89-M93 PolarHBondContact O-N 3.49Å; E89-M93 WeakPolarHBondContact OE1-CE 3.35Å; Y90-M93 WeakPolarHBondContact O-CB 3.29Å; Y90-M93 PolarHBondContact O-N 2.73Å; M93-N96 PolarHBondContact O-N 3.46Å; M93-H97 VanDerWaalsContact O-CB 3.23Å; M93-H97 WeakPolarHBondContact O-CB 3.41Å; M93-H97 PolarHBondContact O-N 2.96Å
94	Y	98.9	Very high	98.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-47.7	176	-176.4	-99.4	0	0	0	111.7	L15 K19 Y69 F72 Y90 L91 N96 H97 F98 L100	L15-Y94 HydrophobicContact CB-CD1 4.26Å; L15-Y94 HydrophobicContact CB-CE1 4.31Å; K19-Y94 HydrophobicContact CB-CE1 4.03Å; K19-Y94 WeakPolarHBondContact CB-OH 3.29Å; K19-Y94 WeakPolarHBondContact CD-OH 3.3Å; K19-Y94 HydrophobicContact CG-CE1 4.19Å; K19-Y94 WeakPolarHBondContact CG-OH 3.25Å; Y69-Y94 HydrophobicContact CD1-CE2 4.24Å; Y69-Y94 AromaticContact CD2-CD1 3.85Å; Y69-Y94 HydrophobicContact CD2-CD1 3.85Å; Y69-Y94 AromaticContact CD2-CD2 3.28Å; Y69-Y94 HydrophobicContact CD2-CD2 3.28Å; Y69-Y94 AromaticContact CD2-CE1 3.91Å; Y69-Y94 HydrophobicContact CD2-CE1 3.91Å; Y69-Y94 AromaticContact CD2-CE2 3.34Å; Y69-Y94 HydrophobicContact CD2-CE2 3.34Å; Y69-Y94 AromaticContact CD2-CG 3.52Å; Y69-Y94 HydrophobicContact CD2-CG 3.52Å; Y69-Y94 AromaticContact CD2-CZ 3.65Å; Y69-Y94 HydrophobicContact CE1-CE1 4.39Å; Y69-Y94 AromaticContact CE2-CD1 3.54Å; Y69-Y94 HydrophobicContact CE2-CD1 3.54Å; Y69-Y94 AromaticContact CE2-CD2 3.89Å; Y69-Y94 HydrophobicContact CE2-CD2 3.89Å; Y69-Y94 AromaticContact CE2-CE1 3.72Å; Y69-Y94 HydrophobicContact CE2-CE1 3.72Å; Y69-Y94 HydrophobicContact CE2-CE2 4.04Å; Y69-Y94 AromaticContact CE2-CG 3.61Å; Y69-Y94 HydrophobicContact CE2-CG 3.61Å; Y69-Y94 AromaticContact CE2-CZ 3.94Å; Y69-Y94 AromaticContact CG-CD2 3.89Å; Y69-Y94 HydrophobicContact CG-CD2 3.89Å; Y69-Y94 HydrophobicContact CG-CE1 4.31Å; Y69-Y94 AromaticContact CG-CE2 3.45Å; Y69-Y94 HydrophobicContact CG-CE2 3.45Å; Y69-Y94 VanDerWaalsContact CG-CE2 3.45Å; Y69-Y94 HydrophobicContact CG-CG 4.46Å; Y69-Y94 AromaticContact CG-CZ 3.67Å; Y69-Y94 AromaticContact CZ-CE1 3.97Å; F72-Y94 HydrophobicContact CB-CD2 3.76Å; F72-Y94 HydrophobicContact CB-CE2 4.04Å; F72-Y94 AromaticContact CD1-CD2 3.69Å; F72-Y94 HydrophobicContact CD1-CD2 3.69Å; F72-Y94 HydrophobicContact CD1-CG 4.35Å; F72-Y94 HydrophobicContact CE1-CD2 4.49Å; F72-Y94 AromaticContact CG-CD2 3.81Å; F72-Y94 HydrophobicContact CG-CD2 3.81Å; Y90-Y94 PolarHBondContact O-N 2.86Å; L91-Y94 PolarHBondContact O-N 3.46Å; Y94-N96 VanDerWaalsContact C-N 3.32Å; Y94-N96 PolarHBondContact O-N 2.82Å; Y94-H97 PolarHBondContact O-N 2.95Å; Y94-F98 HydrophobicContact CD1-CD2 4.41Å; Y94-F98 AromaticContact CD2-CD2 3.56Å; Y94-F98 HydrophobicContact CD2-CD2 3.56Å; Y94-F98 AromaticContact CD2-CE2 3.43Å; Y94-F98 HydrophobicContact CD2-CE2 3.43Å; Y94-F98 VanDerWaalsContact CD2-CE2 3.43Å; Y94-F98 HydrophobicContact CE1-CD2 4.3Å; Y94-F98 AromaticContact CE2-CD2 3.45Å; Y94-F98 HydrophobicContact CE2-CD2 3.45Å; Y94-F98 VanDerWaalsContact CE2-CD2 3.45Å; Y94-F98 AromaticContact CE2-CE2 3.2Å; Y94-F98 HydrophobicContact CE2-CE2 3.2Å; Y94-F98 HydrophobicContact CE2-CZ 4.28Å; Y94-F98 HydrophobicContact CG-CD2 4.08Å; Y94-F98 HydrophobicContact CG-CE2 4.37Å; Y94-F98 AromaticContact CZ-CD2 3.85Å; Y94-F98 AromaticContact CZ-CE2 3.99Å; Y94-F98 WeakPolarHBondContact O-CD2 3.46Å; Y94-F98 PolarHBondContact O-N 2.89Å; Y94-F98 VanDerWaalsContact O-N 3.13Å; Y94-L100 HydrophobicContact CD1-CD1 3.73Å; Y94-L100 HydrophobicContact CE1-CD1 3.64Å
95	A	98.9	Very high	98.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-39.5	178.4	0	0	0	0	0	112.8	L15 L37 L91 K92 N99 L100 L101	L15-A95 HydrophobicContact CD2-CB 4.13Å; L37-A95 HydrophobicContact CD2-CB 4.15Å; L91-A95 WeakPolarHBondContact O-CB 3.37Å; L91-A95 PolarHBondContact O-N 3.11Å; K92-A95 PolarHBondContact O-N 2.87Å; A95-N99 PolarHBondContact O-N 2.77Å; A95-L100 HydrophobicContact CB-CB 4.35Å; A95-L100 PolarHBondContact O-N 3.06Å; A95-L101 HydrophobicContact CB-CD2 4.1Å; A95-L101 HydrophobicContact CB-CG 4.22Å
96	N	98.8	Very high	98.8	Very high	118 Å²	118	52.4 Å²	52.4	63%	0.631	25%	0.25	S	C	*	.	H	α-helix	trans	-71.7	-47.9	176.4	-175.2	61.8	0	0	0	112.1	K92 M93 Y94 F98 N99	K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 PolarHBondContact O-N 2.7Å; M93-N96 PolarHBondContact O-N 3.46Å; Y94-N96 VanDerWaalsContact C-N 3.32Å; Y94-N96 PolarHBondContact O-N 2.82Å; N96-F98 VanDerWaalsContact C-N 3.33Å; N96-F98 PolarHBondContact O-N 3.41Å; N96-N99 PolarHBondContact O-N 3.26Å
97	H	98.8	Very high	98.8	Very high	117 Å²	117	55.9 Å²	55.9	54%	0.542	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-44.2	-176.8	-178.2	83.4	0	0	0	112.3	F72 M93 Y94	F72-H97 AromaticContact CD2-CD2 3.97Å; F72-H97 HydrophobicContact CE2-CB 3.79Å; F72-H97 AromaticContact CE2-CD2 3.85Å; F72-H97 AromaticContact CE2-CG 3.55Å; F72-H97 AromaticContact CE2-ND1 3.87Å; F72-H97 HydrophobicContact CZ-CB 4.05Å; M93-H97 VanDerWaalsContact O-CB 3.23Å; M93-H97 WeakPolarHBondContact O-CB 3.41Å; M93-H97 PolarHBondContact O-N 2.96Å; Y94-H97 PolarHBondContact O-N 2.95Å
98	F	98.8	Very high	98.7	Very high	49 Å²	49	55.9 Å²	55.9	22%	0.215	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	9.8	178.5	-64	-70.9	0	0	0	113.7	K19 D71 F72 Y94 N96 L100	K19-F98 HydrophobicContact CG-CB 3.98Å; K19-F98 HydrophobicContact CG-CD1 4.21Å; K19-F98 HydrophobicContact CG-CD2 4.08Å; K19-F98 HydrophobicContact CG-CG 3.83Å; D71-F98 WeakPolarHBondContact OD2-CZ 3.29Å; F72-F98 HydrophobicContact CB-CE2 4.08Å; F72-F98 HydrophobicContact CD2-CE2 4.09Å; F72-F98 HydrophobicContact CG-CE2 4.18Å; Y94-F98 HydrophobicContact CD1-CD2 4.41Å; Y94-F98 AromaticContact CD2-CD2 3.56Å; Y94-F98 HydrophobicContact CD2-CD2 3.56Å; Y94-F98 AromaticContact CD2-CE2 3.43Å; Y94-F98 HydrophobicContact CD2-CE2 3.43Å; Y94-F98 VanDerWaalsContact CD2-CE2 3.43Å; Y94-F98 HydrophobicContact CE1-CD2 4.3Å; Y94-F98 AromaticContact CE2-CD2 3.45Å; Y94-F98 HydrophobicContact CE2-CD2 3.45Å; Y94-F98 VanDerWaalsContact CE2-CD2 3.45Å; Y94-F98 AromaticContact CE2-CE2 3.2Å; Y94-F98 HydrophobicContact CE2-CE2 3.2Å; Y94-F98 HydrophobicContact CE2-CZ 4.28Å; Y94-F98 HydrophobicContact CG-CD2 4.08Å; Y94-F98 HydrophobicContact CG-CE2 4.37Å; Y94-F98 AromaticContact CZ-CD2 3.85Å; Y94-F98 AromaticContact CZ-CE2 3.99Å; Y94-F98 WeakPolarHBondContact O-CD2 3.46Å; Y94-F98 PolarHBondContact O-N 2.89Å; Y94-F98 VanDerWaalsContact O-N 3.13Å; N96-F98 VanDerWaalsContact C-N 3.33Å; N96-F98 PolarHBondContact O-N 3.41Å; F98-L100 VanDerWaalsContact C-N 3.32Å; F98-L100 HydrophobicContact CB-CD1 4.4Å; F98-L100 HydrophobicContact CB-CD2 3.63Å; F98-L100 HydrophobicContact CB-CG 3.88Å; F98-L100 WeakPolarHBondContact O-CD2 3.31Å; F98-L100 PolarHBondContact O-N 2.72Å
99	N	98.5	Very high	98.7	Very high	86 Å²	86	59.6 Å²	59.6	46%	0.46	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	44.6	178.2	-166.1	14.4	0	0	0	113.5	A95 N96 K102	A95-N99 PolarHBondContact O-N 2.77Å; N96-N99 PolarHBondContact O-N 3.26Å; N99-K102 PolarHBondContact ND2-NZ 2.96Å; N99-K102 WeakPolarHBondContact O-CE 3.31Å
100	L	98.8	Very high	98.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.			trans	-81.2	-28.7	-175.2	-50.4	-174.2	0	0	0	112.5	L15 I18 K19 L22 Y94 A95 F98 K102 H103	L15-L100 HydrophobicContact CB-CD1 4.26Å; L15-L100 HydrophobicContact CD2-CD1 4.43Å; L15-L100 WeakPolarHBondContact O-CD1 3.47Å; I18-L100 HydrophobicContact CB-CD2 4.37Å; I18-L100 HydrophobicContact CG2-CB 4.06Å; I18-L100 HydrophobicContact CG2-CD2 3.86Å; I18-L100 HydrophobicContact CG2-CG 4.46Å; K19-L100 HydrophobicContact CB-CD1 4.01Å; K19-L100 HydrophobicContact CB-CD2 3.79Å; K19-L100 HydrophobicContact CG-CD2 4.22Å; L22-L100 HydrophobicContact CD1-CD2 3.81Å; Y94-L100 HydrophobicContact CD1-CD1 3.73Å; Y94-L100 HydrophobicContact CE1-CD1 3.64Å; A95-L100 HydrophobicContact CB-CB 4.35Å; A95-L100 PolarHBondContact O-N 3.06Å; F98-L100 VanDerWaalsContact C-N 3.32Å; F98-L100 HydrophobicContact CB-CD1 4.4Å; F98-L100 HydrophobicContact CB-CD2 3.63Å; F98-L100 HydrophobicContact CB-CG 3.88Å; F98-L100 WeakPolarHBondContact O-CD2 3.31Å; F98-L100 PolarHBondContact O-N 2.72Å; L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 2.88Å; L100-H103 WeakPolarHBondContact O-CB 3.4Å; L100-H103 PolarHBondContact O-N 3.34Å
101	L	98.6	Very high	98.7	Very high	73 Å²	73	57.6 Å²	57.6	38%	0.382	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.8	-36.8	-171.6	-69.7	174.4	0	0	0	113.5	L37 A95 H103 I104	L37-L101 HydrophobicContact CD2-CD2 3.45Å; L37-L101 VanDerWaalsContact CD2-CD2 3.45Å; A95-L101 HydrophobicContact CB-CD2 4.1Å; A95-L101 HydrophobicContact CB-CG 4.22Å; L101-H103 PolarHBondContact O-N 3.05Å; L101-I104 HydrophobicContact CD2-CD1 4.35Å; L101-I104 PolarHBondContact O-N 3.36Å
102	K	98.2	Very high	98.7	Very high	136 Å²	136	59.4 Å²	59.4	59%	0.591	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.1	179.4	71.3	-172.8	179.4	-170.3	0	114.3	N99 L100	N99-K102 PolarHBondContact ND2-NZ 2.96Å; N99-K102 WeakPolarHBondContact O-CE 3.31Å; L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 2.88Å
103	H	98.8	Very high	98.7	Very high	38 Å²	38	55.4 Å²	55.4	18%	0.176	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-96.2	-1.8	179.4	-62.3	-78.1	0	0	0	112.8	I18 P28 C30 L100 L101	I18-H103 HydrophobicContact CG2-CB 3.89Å; P28-H103 HydrophobicContact CG-CB 4.41Å; P28-H103 PolarHBondContact O-ND1 3.49Å; C30-H103 WeakPolarHBondContact CB-O 2.97Å; C30-H103 PolarHBondContact N-O 2.82Å; L100-H103 WeakPolarHBondContact O-CB 3.4Å; L100-H103 PolarHBondContact O-N 3.34Å; L101-H103 PolarHBondContact O-N 3.05Å
104	I	98.9	Very high	98.6	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.6	-173.8	-51.5	173.1	0	0	0	109.8	A10 L15 I18 C30 E32 L101 F106	A10-I104 HydrophobicContact CB-CD1 4.14Å; A10-I104 HydrophobicContact CB-CG2 3.97Å; L15-I104 HydrophobicContact CD2-CD1 4.04Å; I18-I104 HydrophobicContact CD1-CD1 3.96Å; I18-I104 HydrophobicContact CD1-CG1 3.65Å; C30-I104 HydrophobicContact CB-CG1 4.14Å; C30-I104 CarbonylContact O-C 3.5Å; C30-I104 WeakPolarHBondContact O-CA 3.42Å; E32-I104 HydrophobicContact CB-CG2 3.99Å; L101-I104 HydrophobicContact CD2-CD1 4.35Å; L101-I104 PolarHBondContact O-N 3.36Å; I104-F106 HydrophobicContact CB-CE2 4.3Å; I104-F106 HydrophobicContact CB-CZ 4.12Å; I104-F106 HydrophobicContact CD1-CZ 4.33Å; I104-F106 HydrophobicContact CG2-CD1 3.91Å; I104-F106 HydrophobicContact CG2-CD2 4.37Å; I104-F106 HydrophobicContact CG2-CE1 3.54Å; I104-F106 HydrophobicContact CG2-CE2 4.06Å; I104-F106 HydrophobicContact CG2-CG 4.31Å; I104-F106 HydrophobicContact CG2-CZ 3.64Å
105	Q	98.8	Very high	98.6	Very high	82 Å²	82	58.9 Å²	58.9	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.1	169.3	-60.2	-177.6	7.2	0	0	108.3	C30 F31 E32	C30-Q105 PolarHBondContact O-N 2.85Å; F31-Q105 HydrophobicContact CD1-CB 4.28Å; F31-Q105 VanDerWaalsContact CE1-OE1 3.27Å; E32-Q105 PolarHBondContact N-O 3.32Å
106	F	98.8	Very high	98.6	Very high	57 Å²	57	59.9 Å²	59.9	25%	0.25	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	159.6	178	-64.7	-68.5	0	0	0	111.8	E32 D36 L37 I104 T108 H131	E32-F106 HydrophobicContact CB-CD1 3.87Å; E32-F106 HydrophobicContact CB-CE1 4.26Å; E32-F106 HydrophobicContact CG-CD1 3.75Å; E32-F106 HydrophobicContact CG-CE1 4.08Å; E32-F106 CarbonylContact O-C 3.48Å; D36-F106 VanDerWaalsContact C-CE1 3.47Å; L37-F106 HydrophobicContact CB-CE1 4.31Å; L37-F106 HydrophobicContact CB-CZ 4.48Å; I104-F106 HydrophobicContact CB-CE2 4.3Å; I104-F106 HydrophobicContact CB-CZ 4.12Å; I104-F106 HydrophobicContact CD1-CZ 4.33Å; I104-F106 HydrophobicContact CG2-CD1 3.91Å; I104-F106 HydrophobicContact CG2-CD2 4.37Å; I104-F106 HydrophobicContact CG2-CE1 3.54Å; I104-F106 HydrophobicContact CG2-CE2 4.06Å; I104-F106 HydrophobicContact CG2-CG 4.31Å; I104-F106 HydrophobicContact CG2-CZ 3.64Å; F106-T108 PolarHBondContact O-N 2.94Å; F106-T108 PolarHBondContact O-OG1 2.88Å; F106-H131 PolarHBondContact O-CE1 3.11Å; F106-H131 PolarHBondContact O-ND1 2.84Å
107	K	98.4	Very high	98.4	Very high	125 Å²	125	60.7 Å²	60.7	54%	0.543	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	31.7	-175.4	-54.9	-179.4	-179.5	178.1	0	112.4	E32 S34 D35 H131	E32-K107 PolarHBondContact O-N 3.42Å; S34-K107 PolarHBondContact O-N 3.29Å; D35-K107 HydrophobicContact CB-CG 4.24Å; K107-H131 PolarHBondContact O-ND1 2.86Å; K107-H131 VanDerWaalsContact O-ND1 3.08Å
108	T	98.6	Very high	98.3	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	97.2	-176.6	-56.3	0	0	0	0	109	F31 E32 F106 T129 M130 H131	F31-T108 HydrophobicContact CB-CG2 4.34Å; F31-T108 HydrophobicContact CD1-CG2 3.65Å; F31-T108 HydrophobicContact CE1-CG2 4.4Å; F31-T108 HydrophobicContact CG-CG2 4.38Å; E32-T108 CarbonylContact C-O 3.4Å; E32-T108 PolarHBondContact O-N 3.36Å; F106-T108 PolarHBondContact O-N 2.94Å; F106-T108 PolarHBondContact O-OG1 2.88Å; T108-T129 HydrophobicContact CG2-CG2 4.05Å; T108-M130 WeakPolarHBondContact CA-O 3.02Å; T108-H131 HydrophobicContact CG2-CB 4.49Å; T108-H131 PolarHBondContact OG1-ND1 2.83Å; T108-H131 VanDerWaalsContact OG1-ND1 3.16Å
109	K	98.4	Very high	98.3	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.8	179	179	-176.7	174.7	-173	0	109.2	R33 C111 T129 M130	R33-K109 HydrophobicContact CB-CB 4.42Å; K109-C111 PolarHBondContact O-N 2.9Å; K109-T129 CarbonylContact O-C 3.5Å; K109-T129 VanDerWaalsContact O-CA 3.24Å; K109-T129 WeakPolarHBondContact O-CA 3.43Å; K109-M130 PolarHBondContact N-O 2.87Å; K109-M130 PolarHBondContact O-N 3.41Å
110	V	98.7	Very high	98.1	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.4	166.4	-179.7	0	0	0	0	108.6	V8 F31 V113 V127 T129 F337	V8-V110 HydrophobicContact CB-CG2 4.45Å; V8-V110 HydrophobicContact CG1-CB 4Å; V8-V110 HydrophobicContact CG1-CG2 3.86Å; V8-V110 HydrophobicContact CG2-CG1 4.44Å; V8-V110 HydrophobicContact CG2-CG2 4.12Å; F31-V110 HydrophobicContact CB-CG2 3.58Å; F31-V110 HydrophobicContact CD2-CG2 3.92Å; F31-V110 HydrophobicContact CG-CG2 4.01Å; V110-V113 HydrophobicContact CG1-CG2 3.64Å; V110-V127 HydrophobicContact CG1-CG1 4.01Å; V110-V127 HydrophobicContact CG2-CG1 4.46Å; V110-T129 HydrophobicContact CG2-CG2 4.23Å; V110-F337 HydrophobicContact CG1-CB 4.2Å; V110-F337 HydrophobicContact CG1-CD2 4.38Å; V110-F337 HydrophobicContact CG1-CG 4.27Å
111	C	98.3	Very high	98	Very high	42 Å²	42	62.1 Å²	62.1	28%	0.284	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-40.9	-177.6	-67.5	0	0	0	0	111.7	K109 V128 M130 F337	K109-C111 PolarHBondContact O-N 2.9Å; C111-V128 HydrophobicContact CB-CG1 4.26Å; C111-V128 PolarHBondContact N-O 3.13Å; C111-M130 VanDerWaalsContact SG-CB 3.59Å; C111-F337 WeakPolarHBondContact O-CA 3.43Å; C111-F337 WeakPolarHBondContact O-CB 3.46Å
112	S	98.6	Very high	97.8	Very high	37 Å²	37	60.5 Å²	60.5	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	150.9	175.2	63.4	0	0	0	0	111.9	V128 F337	S112-V128 PolarHBondContact N-O 2.96Å; S112-V128 PolarHBondContact O-N 3.37Å; S112-V128 VanDerWaalsContact OG-CB 3.3Å; S112-V128 WeakPolarHBondContact OG-CB 3.42Å; S112-V128 VanDerWaalsContact OG-CG2 3.29Å; S112-V128 WeakPolarHBondContact OG-CG2 3.26Å; S112-F337 CarbonylContact C-O 3.47Å; S112-F337 WeakPolarHBondContact CA-O 3.02Å
113	V	98.7	Very high	97.8	Very high	1 Å²	1	54 Å²	54	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	107.1	172.3	174.8	0	0	0	0	107	V110 W125 E126 V127 V143 F337 L338 L366	V110-V113 HydrophobicContact CG1-CG2 3.64Å; V113-W125 HydrophobicContact CG1-CB 4.33Å; V113-W125 HydrophobicContact CG1-CD2 4.18Å; V113-W125 HydrophobicContact CG1-CE3 3.64Å; V113-W125 HydrophobicContact CG1-CG 4.49Å; V113-W125 HydrophobicContact CG1-CZ3 4.32Å; V113-E126 WeakPolarHBondContact CA-O 3.39Å; V113-V127 HydrophobicContact CG2-CG1 4.32Å; V113-V127 HydrophobicContact CG2-CG2 4.33Å; V113-V143 HydrophobicContact CG1-CB 4.47Å; V113-V143 HydrophobicContact CG1-CG1 4.26Å; V113-V143 HydrophobicContact CG1-CG2 3.92Å; V113-F337 HydrophobicContact CG2-CD2 3.99Å; V113-F337 PolarHBondContact N-O 2.93Å; V113-L338 HydrophobicContact CB-CD2 3.8Å; V113-L338 HydrophobicContact CG1-CD2 3.93Å; V113-L366 HydrophobicContact CG1-CD1 4.45Å
114	T	98.4	Very high	97.7	Very high	56 Å²	56	54.8 Å²	54.8	34%	0.344	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.5	-173.5	47.1	0	0	0	0	110.6	C116 W125 E126	T114-C116 PolarHBondContact O-N 2.92Å; T114-W125 CarbonylContact O-C 3.59Å; T114-W125 WeakPolarHBondContact O-CA 3.18Å; T114-E126 PolarHBondContact N-O 2.92Å; T114-E126 PolarHBondContact O-N 3.07Å; T114-E126 PolarHBondContact OG1-O 3.43Å
115	K	98.4	Very high	97.7	Very high	84 Å²	84	54 Å²	54	37%	0.365	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.7	172.9	-70	175.9	-68.7	-170.2	0	108.6	F119 W125 L361	K115-F119 HydrophobicContact CB-CB 3.89Å; K115-F119 HydrophobicContact CB-CD2 4.01Å; K115-F119 HydrophobicContact CB-CG 3.88Å; K115-F119 HydrophobicContact CD-CD1 3.79Å; K115-F119 HydrophobicContact CD-CD2 4.39Å; K115-F119 HydrophobicContact CD-CE1 3.96Å; K115-F119 HydrophobicContact CD-CG 4.02Å; K115-F119 HydrophobicContact CD-CZ 4.35Å; K115-F119 HydrophobicContact CG-CB 4.42Å; K115-F119 HydrophobicContact CG-CD1 4.13Å; K115-F119 HydrophobicContact CG-CD2 3.83Å; K115-F119 HydrophobicContact CG-CE1 4.37Å; K115-F119 HydrophobicContact CG-CE2 4.09Å; K115-F119 HydrophobicContact CG-CG 3.86Å; K115-F119 HydrophobicContact CG-CZ 4.36Å; K115-W125 HydrophobicContact CB-CZ3 4.47Å; K115-W125 HydrophobicContact CD-CH2 4.35Å; K115-W125 HydrophobicContact CG-CE3 4.06Å; K115-W125 HydrophobicContact CG-CH2 3.64Å; K115-W125 HydrophobicContact CG-CZ2 4.35Å; K115-W125 HydrophobicContact CG-CZ3 3.48Å; K115-W125 VanDerWaalsContact CG-CZ3 3.48Å; K115-L361 HydrophobicContact CD-CD2 4.37Å
116	C	97.7	Very high	97.7	Very high	20 Å²	20	53.8 Å²	53.8	14%	0.135	30%	0.296	C	S	.	.			trans	-61.5	156.5	169.5	-67.4	0	0	0	0	110.5	T114 D118 F119 Q124	T114-C116 PolarHBondContact O-N 2.92Å; C116-D118 WeakPolarHBondContact CB-OD1 3.15Å; C116-D118 PolarHBondContact O-N 2.92Å; C116-D118 VanDerWaalsContact O-N 3.12Å; C116-F119 WeakPolarHBondContact O-CB 3.45Å; C116-F119 PolarHBondContact O-N 3.24Å; C116-Q124 HydrophobicContact CB-CB 4.32Å; C116-Q124 WeakPolarHBondContact CB-O 3.45Å; C116-Q124 PolarHBondContact N-O 3.49Å; C116-Q124 VanDerWaalsContact SG-C 3.54Å; C116-Q124 PolarHBondContact SG-O 2.8Å; C116-Q124 VanDerWaalsContact SG-O 3.35Å
117	S	96.4	Very high	97.7	Very high	136 Å²	136	51.1 Å²	51.1	95%	0.951	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.2	179.7	52.1	0	0	0	0	113.2
118	D	96.4	Very high	97.7	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	17.1	179.1	72.7	-19.9	0	0	0	113.6	C116 T120 V121 S122	C116-D118 WeakPolarHBondContact CB-OD1 3.15Å; C116-D118 PolarHBondContact O-N 2.92Å; C116-D118 VanDerWaalsContact O-N 3.12Å; D118-T120 PolarHBondContact O-N 3.32Å; D118-V121 WeakPolarHBondContact O-CA 3.31Å; D118-V121 PolarHBondContact O-N 2.88Å; D118-S122 VanDerWaalsContact CG-OG 3.23Å; D118-S122 PolarHBondContact O-N 2.89Å; D118-S122 PolarHBondContact O-OG 3.37Å; D118-S122 WeakPolarHBondContact OD1-CB 3.44Å; D118-S122 PolarHBondContact OD1-OG 2.84Å; D118-S122 WeakPolarHBondContact OD2-CB 3.37Å
119	F	97.1	Very high	97.7	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-50.8	-33.9	-174.2	177.2	-94	0	0	0	114.4	K115 C116 V121 G123 Q124 W125 L361 K363	K115-F119 HydrophobicContact CB-CB 3.89Å; K115-F119 HydrophobicContact CB-CD2 4.01Å; K115-F119 HydrophobicContact CB-CG 3.88Å; K115-F119 HydrophobicContact CD-CD1 3.79Å; K115-F119 HydrophobicContact CD-CD2 4.39Å; K115-F119 HydrophobicContact CD-CE1 3.96Å; K115-F119 HydrophobicContact CD-CG 4.02Å; K115-F119 HydrophobicContact CD-CZ 4.35Å; K115-F119 HydrophobicContact CG-CB 4.42Å; K115-F119 HydrophobicContact CG-CD1 4.13Å; K115-F119 HydrophobicContact CG-CD2 3.83Å; K115-F119 HydrophobicContact CG-CE1 4.37Å; K115-F119 HydrophobicContact CG-CE2 4.09Å; K115-F119 HydrophobicContact CG-CG 3.86Å; K115-F119 HydrophobicContact CG-CZ 4.36Å; C116-F119 WeakPolarHBondContact O-CB 3.45Å; C116-F119 PolarHBondContact O-N 3.24Å; F119-V121 PolarHBondContact O-N 3.06Å; F119-G123 VanDerWaalsContact CD2-C 3.46Å; F119-G123 WeakPolarHBondContact CE2-O 3.4Å; F119-G123 VanDerWaalsContact O-CA 3.24Å; F119-G123 WeakPolarHBondContact O-CA 3.46Å; F119-G123 PolarHBondContact O-N 3.36Å; F119-Q124 WeakPolarHBondContact CD2-O 3.45Å; F119-W125 HydrophobicContact CD2-CZ2 4.46Å; F119-W125 HydrophobicContact CE2-CD2 4.31Å; F119-W125 AromaticContact CE2-CE2 3.53Å; F119-W125 HydrophobicContact CE2-CH2 4.19Å; F119-W125 AromaticContact CE2-CZ2 3.46Å; F119-W125 HydrophobicContact CE2-CZ2 3.46Å; F119-W125 VanDerWaalsContact CE2-CZ2 3.46Å; F119-W125 AromaticContact CE2-NE1 3.69Å; F119-W125 HydrophobicContact CZ-CH2 4.37Å; F119-W125 AromaticContact CZ-CZ2 3.74Å; F119-W125 HydrophobicContact CZ-CZ2 3.74Å; F119-L361 HydrophobicContact CE1-CD2 4.26Å; F119-L361 HydrophobicContact CZ-CD2 4.21Å; F119-K363 HydrophobicContact CE1-CB 4.31Å; F119-K363 HydrophobicContact CZ-CB 4.03Å; F119-K363 WeakPolarHBondContact O-CG 3.5Å
120	T	95.5	Very high	97.7	Very high	88 Å²	88	43.9 Å²	43.9	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-25.4	177.9	55.1	0	0	0	0	112.6	D118 K363	D118-T120 PolarHBondContact O-N 3.32Å; T120-K363 WeakPolarHBondContact O-CE 3.16Å
121	V	95.5	Very high	97.6	Very high	114 Å²	114	46.5 Å²	46.5	69%	0.691	27%	0.267	S	S	*	.	H	α-helix	trans	-102.1	-56.6	175.6	-176.6	0	0	0	0	110.2	D118 F119 K363	D118-V121 WeakPolarHBondContact O-CA 3.31Å; D118-V121 PolarHBondContact O-N 2.88Å; F119-V121 PolarHBondContact O-N 3.06Å; V121-K363 WeakPolarHBondContact O-CE 3.38Å
122	S	95.9	Very high	97.4	Very high	39 Å²	39	51.3 Å²	51.3	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-74.4	-37.8	-172.2	68.8	0	0	0	0	113.3	D118 Q124	D118-S122 VanDerWaalsContact CG-OG 3.23Å; D118-S122 PolarHBondContact O-N 2.89Å; D118-S122 PolarHBondContact O-OG 3.37Å; D118-S122 WeakPolarHBondContact OD1-CB 3.44Å; D118-S122 PolarHBondContact OD1-OG 2.84Å; D118-S122 WeakPolarHBondContact OD2-CB 3.37Å; S122-Q124 PolarHBondContact O-N 3.39Å; S122-Q124 PolarHBondContact OG-N 2.52Å
123	G	96.8	Very high	97	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.314	C	S	.	.			trans	69.8	14.2	-169.5	0	0	0	0	0	114.1	F119 W125 T365	F119-G123 VanDerWaalsContact CD2-C 3.46Å; F119-G123 WeakPolarHBondContact CE2-O 3.4Å; F119-G123 VanDerWaalsContact O-CA 3.24Å; F119-G123 WeakPolarHBondContact O-CA 3.46Å; F119-G123 PolarHBondContact O-N 3.36Å; G123-W125 PolarHBondContact O-NE1 3.26Å; G123-T365 VanDerWaalsContact O-CB 3.31Å; G123-T365 WeakPolarHBondContact O-CB 3.4Å; G123-T365 PolarHBondContact O-OG1 3.13Å
124	Q	98.4	Very high	96.9	Very high	55 Å²	55	65 Å²	65	26%	0.257	34%	0.343	S	S	.	.			trans	-87.2	155.4	-171.3	-67.5	-177.5	-48.8	0	0	113.4	C116 F119 S122 I139 F140 D141	C116-Q124 HydrophobicContact CB-CB 4.32Å; C116-Q124 WeakPolarHBondContact CB-O 3.45Å; C116-Q124 PolarHBondContact N-O 3.49Å; C116-Q124 VanDerWaalsContact SG-C 3.54Å; C116-Q124 PolarHBondContact SG-O 2.8Å; C116-Q124 VanDerWaalsContact SG-O 3.35Å; F119-Q124 WeakPolarHBondContact CD2-O 3.45Å; S122-Q124 PolarHBondContact O-N 3.39Å; S122-Q124 PolarHBondContact OG-N 2.52Å; Q124-I139 HydrophobicContact CB-CG2 3.95Å; Q124-I139 HydrophobicContact CG-CG2 4.44Å; Q124-F140 CarbonylContact C-O 3.6Å; Q124-F140 WeakPolarHBondContact CA-O 3.39Å; Q124-F140 WeakPolarHBondContact CB-O 3.45Å; Q124-D141 PolarHBondContact NE2-OD1 3.43Å
125	W	98.6	Very high	96.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	-177.8	-60.5	86	0	0	0	110.4	V113 T114 K115 F119 G123 I139 F140 V143 V342 L361 T365 L366	V113-W125 HydrophobicContact CG1-CB 4.33Å; V113-W125 HydrophobicContact CG1-CD2 4.18Å; V113-W125 HydrophobicContact CG1-CE3 3.64Å; V113-W125 HydrophobicContact CG1-CG 4.49Å; V113-W125 HydrophobicContact CG1-CZ3 4.32Å; T114-W125 CarbonylContact O-C 3.59Å; T114-W125 WeakPolarHBondContact O-CA 3.18Å; K115-W125 HydrophobicContact CB-CZ3 4.47Å; K115-W125 HydrophobicContact CD-CH2 4.35Å; K115-W125 HydrophobicContact CG-CE3 4.06Å; K115-W125 HydrophobicContact CG-CH2 3.64Å; K115-W125 HydrophobicContact CG-CZ2 4.35Å; K115-W125 HydrophobicContact CG-CZ3 3.48Å; K115-W125 VanDerWaalsContact CG-CZ3 3.48Å; F119-W125 HydrophobicContact CD2-CZ2 4.46Å; F119-W125 HydrophobicContact CE2-CD2 4.31Å; F119-W125 AromaticContact CE2-CE2 3.53Å; F119-W125 HydrophobicContact CE2-CH2 4.19Å; F119-W125 AromaticContact CE2-CZ2 3.46Å; F119-W125 HydrophobicContact CE2-CZ2 3.46Å; F119-W125 VanDerWaalsContact CE2-CZ2 3.46Å; F119-W125 AromaticContact CE2-NE1 3.69Å; F119-W125 HydrophobicContact CZ-CH2 4.37Å; F119-W125 AromaticContact CZ-CZ2 3.74Å; F119-W125 HydrophobicContact CZ-CZ2 3.74Å; G123-W125 PolarHBondContact O-NE1 3.26Å; W125-I139 WeakPolarHBondContact O-CA 3.12Å; W125-F140 PolarHBondContact N-O 2.7Å; W125-F140 PolarHBondContact O-N 3.04Å; W125-V143 HydrophobicContact CB-CG2 3.57Å; W125-V143 HydrophobicContact CD2-CG2 4.22Å; W125-V143 HydrophobicContact CG-CG2 3.55Å; W125-V342 HydrophobicContact CH2-CG1 3.83Å; W125-V342 HydrophobicContact CH2-CG2 4.21Å; W125-V342 HydrophobicContact CZ3-CG1 4.3Å; W125-V342 HydrophobicContact CZ3-CG2 4.19Å; W125-L361 HydrophobicContact CH2-CD1 4.24Å; W125-L361 HydrophobicContact CH2-CD2 4.3Å; W125-L361 HydrophobicContact CZ2-CD1 4.04Å; W125-T365 PolarHBondContact NE1-O 2.98Å; W125-T365 PolarHBondContact NE1-OG1 2.63Å; W125-L366 HydrophobicContact CD2-CD1 4.4Å; W125-L366 HydrophobicContact CE3-CD1 4.3Å; W125-L366 HydrophobicContact CH2-CB 4.2Å; W125-L366 HydrophobicContact CH2-CD1 3.67Å; W125-L366 HydrophobicContact CZ2-CB 3.54Å; W125-L366 HydrophobicContact CZ2-CD1 3.77Å; W125-L366 HydrophobicContact CZ2-CG 4.31Å; W125-L366 HydrophobicContact CZ3-CD1 3.93Å
126	E	98.6	Very high	96.8	Very high	76 Å²	76	70.2 Å²	70.2	36%	0.355	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.9	164.4	-177.5	179.7	-148.6	0	0	108.4	V113 T114 V128 S137 I139	V113-E126 WeakPolarHBondContact CA-O 3.39Å; T114-E126 PolarHBondContact N-O 2.92Å; T114-E126 PolarHBondContact O-N 3.07Å; T114-E126 PolarHBondContact OG1-O 3.43Å; E126-V128 HydrophobicContact CG-CG2 4.48Å; E126-S137 VanDerWaalsContact CD-OG 3.28Å; E126-S137 WeakPolarHBondContact CG-OG 3.48Å; E126-S137 PolarHBondContact OE1-OG 2.68Å; E126-I139 HydrophobicContact CB-CD1 3.81Å; E126-I139 HydrophobicContact CG-CD1 4.02Å
127	V	98.8	Very high	96.8	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.4	179.8	-177.4	0	0	0	0	108.3	A6 F31 V110 V113 T129 A138 F140 V143	A6-V127 HydrophobicContact CB-CG2 3.99Å; F31-V127 HydrophobicContact CD2-CG1 4.34Å; F31-V127 HydrophobicContact CE2-CG1 3.95Å; V110-V127 HydrophobicContact CG1-CG1 4.01Å; V110-V127 HydrophobicContact CG2-CG1 4.46Å; V113-V127 HydrophobicContact CG2-CG1 4.32Å; V113-V127 HydrophobicContact CG2-CG2 4.33Å; V127-T129 HydrophobicContact CG1-CG2 4.05Å; V127-A138 PolarHBondContact N-O 3.42Å; V127-A138 PolarHBondContact O-N 3.22Å; V127-F140 HydrophobicContact CB-CD2 3.97Å; V127-F140 HydrophobicContact CB-CE2 4.18Å; V127-F140 HydrophobicContact CG2-CD2 3.7Å; V127-F140 HydrophobicContact CG2-CE2 4.34Å; V127-F140 HydrophobicContact CG2-CG 4.48Å; V127-V143 HydrophobicContact CG2-CG2 4.18Å
128	V	98.7	Very high	96.9	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.3	177	-179.9	0	0	0	0	108.8	C111 S112 E126 Q135 E136	C111-V128 HydrophobicContact CB-CG1 4.26Å; C111-V128 PolarHBondContact N-O 3.13Å; S112-V128 PolarHBondContact N-O 2.96Å; S112-V128 PolarHBondContact O-N 3.37Å; S112-V128 VanDerWaalsContact OG-CB 3.3Å; S112-V128 WeakPolarHBondContact OG-CB 3.42Å; S112-V128 VanDerWaalsContact OG-CG2 3.29Å; S112-V128 WeakPolarHBondContact OG-CG2 3.26Å; E126-V128 HydrophobicContact CG-CG2 4.48Å; V128-Q135 VanDerWaalsContact CG1-CD 3.49Å; V128-Q135 HydrophobicContact CG1-CG 3.44Å; V128-Q135 VanDerWaalsContact CG1-CG 3.44Å; V128-E136 CarbonylContact C-O 3.59Å; V128-E136 WeakPolarHBondContact CA-O 3.41Å
129	T	98.6	Very high	97	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.049	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.1	-178.7	62.5	0	0	0	0	111.5	F31 T108 K109 V110 V127 Q135 E136	F31-T129 HydrophobicContact CD1-CG2 3.86Å; F31-T129 HydrophobicContact CD2-CG2 4.23Å; F31-T129 HydrophobicContact CE1-CG2 3.87Å; F31-T129 HydrophobicContact CE2-CG2 4.26Å; F31-T129 HydrophobicContact CG-CG2 4.03Å; F31-T129 HydrophobicContact CZ-CG2 4.06Å; T108-T129 HydrophobicContact CG2-CG2 4.05Å; K109-T129 CarbonylContact O-C 3.5Å; K109-T129 VanDerWaalsContact O-CA 3.24Å; K109-T129 WeakPolarHBondContact O-CA 3.43Å; V110-T129 HydrophobicContact CG2-CG2 4.23Å; V127-T129 HydrophobicContact CG1-CG2 4.05Å; T129-Q135 VanDerWaalsContact O-CA 3.31Å; T129-Q135 WeakPolarHBondContact O-CA 3.48Å; T129-E136 PolarHBondContact N-O 3.25Å; T129-E136 PolarHBondContact O-N 2.82Å; T129-E136 PolarHBondContact OG1-O 2.94Å
130	M	98	Very high	97	Very high	62 Å²	62	67.4 Å²	67.4	31%	0.305	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122	174.1	-172.1	138.7	-66.9	0	0	110.2	T108 K109 C111 K134 Q135	T108-M130 WeakPolarHBondContact CA-O 3.02Å; K109-M130 PolarHBondContact N-O 2.87Å; K109-M130 PolarHBondContact O-N 3.41Å; C111-M130 VanDerWaalsContact SG-CB 3.59Å; M130-K134 WeakPolarHBondContact CA-O 3.46Å; M130-Q135 HydrophobicContact CE-CB 3.59Å; M130-Q135 HydrophobicContact CE-CG 4.02Å
131	H	96.4	Very high	97.2	Very high	67 Å²	67	64.7 Å²	64.7	31%	0.31	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.2	176.6	-175.2	80.6	0	0	0	108.8	F106 K107 T108 E133 K134	F106-H131 PolarHBondContact O-CE1 3.11Å; F106-H131 PolarHBondContact O-ND1 2.84Å; K107-H131 PolarHBondContact O-ND1 2.86Å; K107-H131 VanDerWaalsContact O-ND1 3.08Å; T108-H131 HydrophobicContact CG2-CB 4.49Å; T108-H131 PolarHBondContact OG1-ND1 2.83Å; T108-H131 VanDerWaalsContact OG1-ND1 3.16Å; H131-E133 VanDerWaalsContact C-N 3.25Å; H131-E133 PolarHBondContact O-N 2.81Å; H131-K134 PolarHBondContact N-O 2.92Å; H131-K134 WeakPolarHBondContact O-CB 3.48Å; H131-K134 PolarHBondContact O-N 2.78Å
132	E	93.4	Very high	97.4	Very high	144 Å²	144	59.3 Å²	59.3	67%	0.673	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	46.8	-177.4	-60.6	-174.2	159.6	0	0	113.3	K134	E132-K134 PolarHBondContact O-N 3.11Å
133	E	91.4	Very high	97.5	Very high	183 Å²	183	57.4 Å²	57.4	86%	0.855	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	2.4	-177.6	-53.3	-178.6	167	0	0	115.5	H131	H131-E133 VanDerWaalsContact C-N 3.25Å; H131-E133 PolarHBondContact O-N 2.81Å
134	K	96	Very high	97.6	Very high	142 Å²	142	57.4 Å²	57.4	62%	0.617	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.2	173.1	-63.7	175.9	-175.3	168.5	0	109.9	M130 H131 E132	M130-K134 WeakPolarHBondContact CA-O 3.46Å; H131-K134 PolarHBondContact N-O 2.92Å; H131-K134 WeakPolarHBondContact O-CB 3.48Å; H131-K134 PolarHBondContact O-N 2.78Å; E132-K134 PolarHBondContact O-N 3.11Å
135	Q	97	Very high	97.6	Very high	131 Å²	131	54.8 Å²	54.8	61%	0.612	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	175.5	-166.3	170.6	-48.3	0	0	110.1	V128 T129 M130	V128-Q135 VanDerWaalsContact CG1-CD 3.49Å; V128-Q135 HydrophobicContact CG1-CG 3.44Å; V128-Q135 VanDerWaalsContact CG1-CG 3.44Å; T129-Q135 VanDerWaalsContact O-CA 3.31Å; T129-Q135 WeakPolarHBondContact O-CA 3.48Å; M130-Q135 HydrophobicContact CE-CB 3.59Å; M130-Q135 HydrophobicContact CE-CG 4.02Å
136	E	97.4	Very high	97.6	Very high	119 Å²	119	55.2 Å²	55.2	56%	0.556	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.1	174.8	-65	-174.3	177	0	0	109.7	V128 T129	V128-E136 CarbonylContact C-O 3.59Å; V128-E136 WeakPolarHBondContact CA-O 3.41Å; T129-E136 PolarHBondContact N-O 3.25Å; T129-E136 PolarHBondContact O-N 2.82Å; T129-E136 PolarHBondContact OG1-O 2.94Å
137	S	97.3	Very high	97.5	Very high	64 Å²	64	54 Å²	54	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.8	174.2	-176.2	0	0	0	0	109.8	E126	E126-S137 VanDerWaalsContact CD-OG 3.28Å; E126-S137 WeakPolarHBondContact CG-OG 3.48Å; E126-S137 PolarHBondContact OE1-OG 2.68Å
138	A	98.3	Very high	97.2	Very high	34 Å²	34	55.1 Å²	55.1	28%	0.281	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.5	176	0	0	0	0	0	111.6	V127 F140	V127-A138 PolarHBondContact N-O 3.42Å; V127-A138 PolarHBondContact O-N 3.22Å; A138-F140 HydrophobicContact CB-CD2 4.41Å; A138-F140 HydrophobicContact CB-CE2 3.74Å; A138-F140 HydrophobicContact CB-CZ 4.45Å
139	I	98.6	Very high	96.9	Very high	73 Å²	73	55.7 Å²	55.7	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.8	178.1	-51.2	-59.4	0	0	0	110.4	Q124 W125 E126	Q124-I139 HydrophobicContact CB-CG2 3.95Å; Q124-I139 HydrophobicContact CG-CG2 4.44Å; W125-I139 WeakPolarHBondContact O-CA 3.12Å; E126-I139 HydrophobicContact CB-CD1 3.81Å; E126-I139 HydrophobicContact CG-CD1 4.02Å
140	F	98.8	Very high	96.7	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.9	177.5	-72	-89.9	0	0	0	111.5	R4 A6 T29 F31 Q124 W125 V127 A138 A142	R4-F140 HydrophobicContact CB-CD1 4.02Å; A6-F140 HydrophobicContact CB-CB 4.08Å; A6-F140 HydrophobicContact CB-CD1 3.79Å; A6-F140 HydrophobicContact CB-CD2 3.79Å; A6-F140 HydrophobicContact CB-CE1 4.12Å; A6-F140 HydrophobicContact CB-CE2 4.1Å; A6-F140 HydrophobicContact CB-CG 3.61Å; A6-F140 HydrophobicContact CB-CZ 4.26Å; T29-F140 HydrophobicContact CG2-CZ 4.23Å; F31-F140 AromaticContact CE2-CE2 3.98Å; F31-F140 HydrophobicContact CE2-CE2 3.98Å; F31-F140 AromaticContact CE2-CZ 3.97Å; F31-F140 HydrophobicContact CE2-CZ 3.97Å; F31-F140 AromaticContact CZ-CE2 3.86Å; F31-F140 HydrophobicContact CZ-CE2 3.86Å; F31-F140 AromaticContact CZ-CZ 3.71Å; F31-F140 HydrophobicContact CZ-CZ 3.71Å; Q124-F140 CarbonylContact C-O 3.6Å; Q124-F140 WeakPolarHBondContact CA-O 3.39Å; Q124-F140 WeakPolarHBondContact CB-O 3.45Å; W125-F140 PolarHBondContact N-O 2.7Å; W125-F140 PolarHBondContact O-N 3.04Å; V127-F140 HydrophobicContact CB-CD2 3.97Å; V127-F140 HydrophobicContact CB-CE2 4.18Å; V127-F140 HydrophobicContact CG2-CD2 3.7Å; V127-F140 HydrophobicContact CG2-CE2 4.34Å; V127-F140 HydrophobicContact CG2-CG 4.48Å; A138-F140 HydrophobicContact CB-CD2 4.41Å; A138-F140 HydrophobicContact CB-CE2 3.74Å; A138-F140 HydrophobicContact CB-CZ 4.45Å; F140-A142 VanDerWaalsContact C-N 3.33Å
141	D	98.7	Very high	96.4	Very high	32 Å²	32	56.3 Å²	56.3	17%	0.171	29%	0.29	C	S	.	.	S	Bend	trans	-77	-25.3	179.1	-54.8	-45.9	0	0	0	112.8	A2 K3 R4 Q124 T365	A2-D141 HydrophobicContact CB-CB 3.66Å; K3-D141 WeakPolarHBondContact CA-OD2 3.09Å; K3-D141 PolarHBondContact N-OD2 3.02Å; R4-D141 PolarHBondContact N-OD2 2.68Å; R4-D141 WeakPolarHBondContact O-CB 3.35Å; R4-D141 PolarHBondContact O-N 3.34Å; Q124-D141 PolarHBondContact NE2-OD1 3.43Å; D141-T365 WeakPolarHBondContact O-CB 3.39Å; D141-T365 WeakPolarHBondContact O-CG2 3.39Å
142	A	98.8	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161.9	175.9	0	0	0	0	0	112.1	A2 R4 V5 A6 F140 T365 L393	A2-A142 HydrophobicContact CB-CB 3.99Å; R4-A142 PolarHBondContact O-N 3.08Å; V5-A142 WeakPolarHBondContact CA-O 3.31Å; V5-A142 HydrophobicContact CG1-CB 4.47Å; V5-A142 HydrophobicContact CG2-CB 4.4Å; A6-A142 PolarHBondContact N-O 3.33Å; F140-A142 VanDerWaalsContact C-N 3.33Å; A142-T365 CarbonylContact C-O 3.17Å; A142-T365 WeakPolarHBondContact CA-O 3.42Å; A142-T365 VanDerWaalsContact CB-O 3.28Å; A142-T365 WeakPolarHBondContact CB-O 3.33Å; A142-L393 HydrophobicContact CB-CB 4.28Å; A142-L393 HydrophobicContact CB-CD1 3.83Å; A142-L393 HydrophobicContact CB-CD2 3.78Å; A142-L393 HydrophobicContact CB-CG 4.16Å
143	V	98.9	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.1	179.1	-174.8	0	0	0	0	110.7	A6 V8 V113 W125 V127 V145 T365 L366 A367	A6-V143 HydrophobicContact CB-CG1 4.47Å; A6-V143 HydrophobicContact CB-CG2 4.27Å; A6-V143 CarbonylContact O-C 3.44Å; A6-V143 WeakPolarHBondContact O-CA 3.06Å; V8-V143 HydrophobicContact CG2-CG1 4.13Å; V113-V143 HydrophobicContact CG1-CB 4.47Å; V113-V143 HydrophobicContact CG1-CG1 4.26Å; V113-V143 HydrophobicContact CG1-CG2 3.92Å; W125-V143 HydrophobicContact CB-CG2 3.57Å; W125-V143 HydrophobicContact CD2-CG2 4.22Å; W125-V143 HydrophobicContact CG-CG2 3.55Å; V127-V143 HydrophobicContact CG2-CG2 4.18Å; V143-V145 HydrophobicContact CG1-CG2 4.13Å; V143-T365 PolarHBondContact N-O 3.46Å; V143-L366 HydrophobicContact CB-CD1 4.4Å; V143-L366 HydrophobicContact CB-CG 4.45Å; V143-L366 CarbonylContact O-C 3.56Å; V143-L366 VanDerWaalsContact O-CA 3.31Å; V143-L366 WeakPolarHBondContact O-CA 3.21Å; V143-A367 PolarHBondContact O-N 3.13Å
144	M	98.9	Very high	96.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.1	170.3	-61.6	178.9	72.3	0	0	109.7	V5 A6 I7 V8 S17 A367 I369 A386 A389 V390 L393	V5-M144 HydrophobicContact CG1-CG 3.89Å; V5-M144 HydrophobicContact CG1-SD 4.02Å; A6-M144 PolarHBondContact O-N 3.16Å; I7-M144 CarbonylContact C-O 3.37Å; I7-M144 WeakPolarHBondContact CA-O 3.41Å; I7-M144 HydrophobicContact CG1-CB 4.29Å; V8-M144 PolarHBondContact N-O 2.98Å; S17-M144 VanDerWaalsContact OG-CE 3.29Å; S17-M144 WeakPolarHBondContact OG-CE 3.33Å; M144-A367 CarbonylContact C-O 3.52Å; M144-A367 VanDerWaalsContact CA-O 3.3Å; M144-A367 WeakPolarHBondContact CA-O 3.19Å; M144-A367 HydrophobicContact CG-CB 4.44Å; M144-I369 HydrophobicContact CE-CD1 3.98Å; M144-I369 HydrophobicContact CE-CG1 3.76Å; M144-A386 HydrophobicContact CE-CB 4.11Å; M144-A389 HydrophobicContact CE-CB 4.13Å; M144-V390 HydrophobicContact CE-CG1 3.88Å; M144-V390 HydrophobicContact SD-CG1 3.69Å; M144-L393 HydrophobicContact CG-CD1 3.77Å; M144-L393 HydrophobicContact SD-CD1 3.99Å
145	V	98.8	Very high	96.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.3	-178.1	-178.5	0	0	0	0	110	V8 V143 T147 F335 F337 L338 A367 I368 I369	V8-V145 HydrophobicContact CG2-CG2 4.41Å; V143-V145 HydrophobicContact CG1-CG2 4.13Å; V145-T147 HydrophobicContact CG1-CG2 4.11Å; V145-F335 HydrophobicContact CG1-CD1 3.96Å; V145-F335 HydrophobicContact CG1-CE1 3.94Å; V145-F337 HydrophobicContact CG1-CE2 3.83Å; V145-F337 HydrophobicContact CG1-CZ 3.59Å; V145-F337 HydrophobicContact CG2-CE2 4.04Å; V145-L338 HydrophobicContact CG2-CD1 4.31Å; V145-A367 PolarHBondContact N-O 2.86Å; V145-I368 HydrophobicContact CB-CD1 3.58Å; V145-I368 HydrophobicContact CG1-CD1 4.18Å; V145-I368 HydrophobicContact CG2-CD1 3.75Å; V145-I369 PolarHBondContact O-N 2.95Å
146	C	98.6	Very high	96.6	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.054	22%	0.219	C	C	.	.			trans	-125	29	-171.6	-67	0	0	0	0	112.5	V8 S17 G148	V8-C146 CarbonylContact O-C 3.56Å; V8-C146 VanDerWaalsContact O-C 3.28Å; V8-C146 VanDerWaalsContact O-CA 3.25Å; V8-C146 WeakPolarHBondContact O-CA 3.47Å; V8-C146 VanDerWaalsContact O-CB 3.29Å; V8-C146 WeakPolarHBondContact O-CB 3.18Å; V8-C146 PolarHBondContact O-N 2.86Å; S17-C146 PolarHBondContact OG-SG 2.96Å; S17-C146 VanDerWaalsContact OG-SG 3.36Å; C146-G148 VanDerWaalsContact C-N 3.29Å; C146-G148 PolarHBondContact O-N 2.94Å
147	T	96.6	Very high	96.5	Very high	50 Å²	50	35.9 Å²	35.9	31%	0.307	20%	0.204	S	C	.	.			trans	-74.6	-15	-174.6	54.8	0	0	0	0	114.4	V8 V145 F335 F337	V8-T147 HydrophobicContact CG1-CG2 3.81Å; V145-T147 HydrophobicContact CG1-CG2 4.11Å; T147-F335 WeakPolarHBondContact OG1-CE1 3.21Å; T147-F337 HydrophobicContact CG2-CE1 3.81Å; T147-F337 HydrophobicContact CG2-CZ 3.7Å
148	G	92.8	Very high	96.4	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	23%	0.225	S	C	.	.			trans	63.7	-162.8	-173.8	0	0	0	0	0	112.7	C146	C146-G148 VanDerWaalsContact C-N 3.29Å; C146-G148 PolarHBondContact O-N 2.94Å
149	F	91.9	Very high	96.2	Very high	23 Å²	23	42.7 Å²	42.7	10%	0.101	24%	0.237	C	C	.	.	S	Bend	trans	-140.3	2.2	-171.8	60.8	-94.3	0	0	0	115.3	T151 T332 F333 G370 L371 I372 K373 M378	F149-T151 VanDerWaalsContact C-N 3.31Å; F149-T151 PolarHBondContact O-N 2.85Å; F149-T332 VanDerWaalsContact O-O 3.06Å; F149-F333 HydrophobicContact CB-CB 3.61Å; F149-F333 HydrophobicContact CB-CD1 3.83Å; F149-F333 HydrophobicContact CB-CG 3.85Å; F149-G370 WeakPolarHBondContact CD1-O 3.3Å; F149-G370 WeakPolarHBondContact CE1-O 3.34Å; F149-L371 HydrophobicContact CB-CD1 3.82Å; F149-L371 HydrophobicContact CD1-CD1 4.1Å; F149-L371 HydrophobicContact CG-CD1 4.27Å; F149-I372 WeakPolarHBondContact CE1-O 3.4Å; F149-K373 HydrophobicContact CE2-CD 4.43Å; F149-K373 VanDerWaalsContact CE2-CE 3.4Å; F149-K373 HydrophobicContact CE2-CG 4.19Å; F149-K373 HydrophobicContact CZ-CG 3.83Å; F149-M378 HydrophobicContact CE1-CE 4.49Å
150	L	93.5	Very high	96.1	Very high	67 Å²	67	40.3 Å²	40.3	35%	0.351	22%	0.224	S	C	.	.	S	Bend	trans	-97.9	33.1	-177.3	-61.8	177.4	0	0	0	112.4	L40 A52 Y331	L40-L150 HydrophobicContact CD2-CD1 4.36Å; A52-L150 HydrophobicContact CB-CB 4.4Å; A52-L150 VanDerWaalsContact CB-O 3.3Å; A52-L150 WeakPolarHBondContact CB-O 3.34Å; L150-Y331 HydrophobicContact CB-CG 4.49Å; L150-Y331 HydrophobicContact CD2-CD2 3.84Å; L150-Y331 HydrophobicContact CD2-CG 4.23Å; L150-Y331 WeakPolarHBondContact O-CD1 3.47Å; L150-Y331 WeakPolarHBondContact O-CE1 3.2Å
151	T	92.8	Very high	96.1	Very high	17 Å²	17	43.5 Å²	43.5	10%	0.104	25%	0.245	C	C	.	.	S	Bend	trans	-101.2	-55.5	-175.1	53.3	0	0	0	0	111.6	A52 F149 P153 R174	A52-T151 HydrophobicContact CB-CG2 4.2Å; F149-T151 VanDerWaalsContact C-N 3.31Å; F149-T151 PolarHBondContact O-N 2.85Å; T151-P153 WeakPolarHBondContact O-CD 3.37Å; T151-R174 WeakPolarHBondContact O-CD 3.15Å; T151-R174 PolarHBondContact O-NE 3.28Å; T151-R174 PolarHBondContact O-NH1 3.26Å
152	N	95.1	Very high	96	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.7	-171.4	-59	-20	0	0	0	109.6	Y331 T332	N152-Y331 CarbonylContact O-C 3.54Å; N152-Y331 WeakPolarHBondContact O-CA 3.4Å; N152-Y331 WeakPolarHBondContact O-CB 3.27Å; N152-Y331 WeakPolarHBondContact O-CD1 3.45Å; N152-T332 WeakPolarHBondContact CB-O 3.43Å; N152-T332 WeakPolarHBondContact CB-OG1 3.41Å; N152-T332 PolarHBondContact O-N 3.43Å
153	P	96.8	Very high	95.9	Very high	56 Å²	56	43.9 Å²	43.9	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.7	-177.9	29.3	-34.3	0	0	0	110.7	T151 H172 R174	T151-P153 WeakPolarHBondContact O-CD 3.37Å; P153-H172 HydrophobicContact CB-CB 4.29Å; P153-H172 WeakPolarHBondContact CB-ND1 3.43Å; P153-R174 HydrophobicContact CB-CB 4.49Å
154	Y	95.6	Very high	95.8	Very high	112 Å²	112	50.6 Å²	50.6	44%	0.439	29%	0.291	S	S	.	.			trans	-98.2	109.5	170.8	179	-120.2	0	0	0	109.2	P156 T329 G330 T332	Y154-P156 HydrophobicContact CD1-CG 4.2Å; Y154-P156 HydrophobicContact CE1-CB 4.12Å; Y154-P156 HydrophobicContact CE1-CG 3.58Å; Y154-P156 HydrophobicContact CE2-CB 4.16Å; Y154-P156 HydrophobicContact CE2-CG 4.43Å; Y154-T329 WeakPolarHBondContact O-CB 3.49Å; Y154-T329 PolarHBondContact O-OG1 2.77Å; Y154-G330 PolarHBondContact N-O 2.93Å; Y154-T332 HydrophobicContact CD2-CG2 3.76Å; Y154-T332 HydrophobicContact CG-CG2 4.12Å
155	L	96	Very high	95.7	Very high	62 Å²	62	52.9 Å²	52.9	33%	0.325	31%	0.31	S	S	.	.			trans	-127.4	82.8	-176.3	-173.4	64.2	0	0	0	110.6	L157 F327	L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 HydrophobicContact CD1-CD2 4.05Å; L155-L157 HydrophobicContact CD2-CD2 4.02Å; L155-L157 HydrophobicContact CD2-CG 4.32Å; L155-L157 HydrophobicContact CG-CD2 3.73Å; L155-L157 HydrophobicContact CG-CG 4.03Å; L155-L157 PolarHBondContact O-N 3.4Å; L155-F327 HydrophobicContact CD1-CB 3.45Å; L155-F327 VanDerWaalsContact CD1-CB 3.45Å; L155-F327 HydrophobicContact CD1-CD1 3.68Å; L155-F327 HydrophobicContact CD1-CD2 3.69Å; L155-F327 HydrophobicContact CD1-CE1 4.32Å; L155-F327 HydrophobicContact CD1-CE2 4.32Å; L155-F327 HydrophobicContact CD1-CG 3.32Å
156	P	94.6	Very high	95.7	Very high	22 Å²	22	53.6 Å²	53.6	14%	0.143	31%	0.314	C	S	.	.			trans	-81	74.8	-175.6	33.6	-35.8	0	0	0	111.3	Y154 D158 S159 F160	Y154-P156 HydrophobicContact CD1-CG 4.2Å; Y154-P156 HydrophobicContact CE1-CB 4.12Å; Y154-P156 HydrophobicContact CE1-CG 3.58Å; Y154-P156 HydrophobicContact CE2-CB 4.16Å; Y154-P156 HydrophobicContact CE2-CG 4.43Å; P156-D158 PolarHBondContact O-N 3.39Å; P156-S159 WeakPolarHBondContact O-CB 3.45Å; P156-S159 PolarHBondContact O-N 3.19Å; P156-F160 HydrophobicContact CG-CE2 4.22Å; P156-F160 VanDerWaalsContact O-CD2 3.26Å; P156-F160 WeakPolarHBondContact O-CD2 3.47Å; P156-F160 WeakPolarHBondContact O-CE2 3.37Å
157	L	95.8	Very high	95.7	Very high	48 Å²	48	59.7 Å²	59.7	25%	0.251	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-57.6	-31.4	-176.9	-64.3	-179.1	0	0	0	113.1	L155 S159 F160 I163 Y170 F327	L155-L157 VanDerWaalsContact C-N 3.32Å; L155-L157 HydrophobicContact CD1-CD2 4.05Å; L155-L157 HydrophobicContact CD2-CD2 4.02Å; L155-L157 HydrophobicContact CD2-CG 4.32Å; L155-L157 HydrophobicContact CG-CD2 3.73Å; L155-L157 HydrophobicContact CG-CG 4.03Å; L155-L157 PolarHBondContact O-N 3.4Å; L157-S159 PolarHBondContact O-N 3.48Å; L157-S159 VanDerWaalsContact O-N 3.14Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-I163 HydrophobicContact CB-CG2 4.29Å; L157-I163 HydrophobicContact CD2-CG1 4.33Å; L157-I163 HydrophobicContact CD2-CG2 4.42Å; L157-Y170 HydrophobicContact CD2-CE2 4.1Å; L157-F327 HydrophobicContact CD2-CZ 4.37Å
158	D	94.6	Very high	95.7	Very high	164 Å²	164	58.5 Å²	58.5	88%	0.877	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-61.5	-22	177	-56.8	-38.9	0	0	0	113.2	P156 F160	P156-D158 PolarHBondContact O-N 3.39Å; D158-F160 PolarHBondContact O-N 2.91Å
159	S	95.1	Very high	96	Very high	77 Å²	77	62.4 Å²	62.4	54%	0.538	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-79.7	-2.3	175.5	-58.5	0	0	0	0	113.6	P156 L157	P156-S159 WeakPolarHBondContact O-CB 3.45Å; P156-S159 PolarHBondContact O-N 3.19Å; L157-S159 PolarHBondContact O-N 3.48Å; L157-S159 VanDerWaalsContact O-N 3.14Å
160	F	96.4	Very high	96.3	Very high	23 Å²	23	65.2 Å²	65.2	10%	0.101	36%	0.359	C	S	.	.	S	Bend	trans	-126.2	81.8	-176.9	-57.2	-78.4	0	0	0	110.4	P156 L157 D158 G162 I163 I190 I303 F327 T329	P156-F160 HydrophobicContact CG-CE2 4.22Å; P156-F160 VanDerWaalsContact O-CD2 3.26Å; P156-F160 WeakPolarHBondContact O-CD2 3.47Å; P156-F160 WeakPolarHBondContact O-CE2 3.37Å; L157-F160 PolarHBondContact O-N 3.42Å; D158-F160 PolarHBondContact O-N 2.91Å; F160-G162 PolarHBondContact O-N 3.14Å; F160-I163 HydrophobicContact CB-CB 4.24Å; F160-I163 HydrophobicContact CB-CG2 4.47Å; F160-I163 WeakPolarHBondContact O-CB 3.44Å; F160-I163 VanDerWaalsContact O-CG2 3.27Å; F160-I163 WeakPolarHBondContact O-CG2 3.4Å; F160-I163 PolarHBondContact O-N 2.85Å; F160-I190 HydrophobicContact CD1-CD1 4.32Å; F160-I190 HydrophobicContact CE1-CD1 4.05Å; F160-I190 HydrophobicContact CE1-CG2 3.68Å; F160-I190 HydrophobicContact CZ-CG2 3.67Å; F160-I303 HydrophobicContact CD1-CB 4.21Å; F160-I303 HydrophobicContact CD1-CD1 3.87Å; F160-I303 HydrophobicContact CE1-CD1 4.04Å; F160-F327 HydrophobicContact CD1-CE1 4.3Å; F160-F327 HydrophobicContact CD2-CD1 4.37Å; F160-F327 AromaticContact CD2-CE1 3.56Å; F160-F327 HydrophobicContact CD2-CE1 3.56Å; F160-F327 HydrophobicContact CD2-CZ 4.41Å; F160-F327 HydrophobicContact CE1-CE1 4.31Å; F160-F327 AromaticContact CE2-CD1 3.95Å; F160-F327 HydrophobicContact CE2-CD1 3.95Å; F160-F327 AromaticContact CE2-CE1 3.56Å; F160-F327 HydrophobicContact CE2-CE1 3.56Å; F160-F327 AromaticContact CG-CE1 3.94Å; F160-F327 HydrophobicContact CG-CE1 3.94Å; F160-F327 HydrophobicContact CZ-CD1 4.23Å; F160-F327 AromaticContact CZ-CE1 3.96Å; F160-F327 HydrophobicContact CZ-CE1 3.96Å; F160-T329 HydrophobicContact CZ-CG2 4.4Å
161	P	97.3	Very high	96.6	Very high	71 Å²	71	63 Å²	63	46%	0.461	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.1	-178.4	-25.6	34.6	0	0	0	112	I163 V306	P161-I163 VanDerWaalsContact C-N 3.33Å; P161-I163 PolarHBondContact O-N 2.9Å; P161-V306 PolarHBondContact O-N 3.34Å
162	G	96.6	Very high	96.9	Very high	35 Å²	35	62.4 Å²	62.4	36%	0.361	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	0.1	178.1	0	0	0	0	0	115.7	F160 N164 A165 V306	F160-G162 PolarHBondContact O-N 3.14Å; G162-N164 PolarHBondContact O-N 3.19Å; G162-N164 VanDerWaalsContact O-N 3.13Å; G162-A165 WeakPolarHBondContact O-CB 3.42Å; G162-A165 PolarHBondContact O-N 2.77Å; G162-V306 CarbonylContact C-O 3.28Å; G162-V306 VanDerWaalsContact CA-O 3.28Å; G162-V306 WeakPolarHBondContact CA-O 3.38Å
163	I	97.8	Very high	97	Very high	5 Å²	5	60 Å²	60	3%	0.026	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-55.7	-33.7	-179.9	-171.9	58.3	0	0	0	113.7	L157 F160 P161 A165 F166 Y170 V306 I325 F327	L157-I163 HydrophobicContact CB-CG2 4.29Å; L157-I163 HydrophobicContact CD2-CG1 4.33Å; L157-I163 HydrophobicContact CD2-CG2 4.42Å; F160-I163 HydrophobicContact CB-CB 4.24Å; F160-I163 HydrophobicContact CB-CG2 4.47Å; F160-I163 WeakPolarHBondContact O-CB 3.44Å; F160-I163 VanDerWaalsContact O-CG2 3.27Å; F160-I163 WeakPolarHBondContact O-CG2 3.4Å; F160-I163 PolarHBondContact O-N 2.85Å; P161-I163 VanDerWaalsContact C-N 3.33Å; P161-I163 PolarHBondContact O-N 2.9Å; I163-A165 PolarHBondContact O-N 3.19Å; I163-F166 HydrophobicContact CD1-CB 4.31Å; I163-F166 VanDerWaalsContact O-CB 3.23Å; I163-F166 WeakPolarHBondContact O-CB 3.33Å; I163-F166 PolarHBondContact O-N 2.8Å; I163-F166 VanDerWaalsContact O-N 3.1Å; I163-Y170 HydrophobicContact CD1-CD1 4.32Å; I163-Y170 HydrophobicContact CD1-CG 4.41Å; I163-Y170 HydrophobicContact CG1-CE1 4.5Å; I163-V306 HydrophobicContact CD1-CG1 4.11Å; I163-V306 HydrophobicContact CD1-CG2 4.31Å; I163-I325 HydrophobicContact CD1-CD1 4.02Å; I163-F327 HydrophobicContact CD1-CE2 4.32Å; I163-F327 HydrophobicContact CD1-CZ 3.93Å; I163-F327 HydrophobicContact CG1-CZ 4.19Å
164	N	96.7	Very high	97.1	Very high	141 Å²	141	58.1 Å²	58.1	75%	0.754	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.1	178.1	-63.5	-26.6	0	0	0	113.5	G162	G162-N164 PolarHBondContact O-N 3.19Å; G162-N164 VanDerWaalsContact O-N 3.13Å
165	A	97	Very high	97.2	Very high	49 Å²	49	57 Å²	57	41%	0.405	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-85.7	-12.6	176.3	0	0	0	0	0	112.6	G162 I163 K167 E308	G162-A165 WeakPolarHBondContact O-CB 3.42Å; G162-A165 PolarHBondContact O-N 2.77Å; I163-A165 PolarHBondContact O-N 3.19Å; A165-K167 PolarHBondContact O-N 2.76Å; A165-E308 WeakPolarHBondContact O-CA 3.38Å
166	F	98.5	Very high	97.4	Very high	15 Å²	15	54.1 Å²	54.1	7%	0.066	30%	0.299	C	S	.	.			trans	-64.7	122.6	-178.5	-170.9	-117.5	0	0	0	110.7	I163 G168 Y170 V306 K307 I322 I325	I163-F166 HydrophobicContact CD1-CB 4.31Å; I163-F166 VanDerWaalsContact O-CB 3.23Å; I163-F166 WeakPolarHBondContact O-CB 3.33Å; I163-F166 PolarHBondContact O-N 2.8Å; I163-F166 VanDerWaalsContact O-N 3.1Å; F166-G168 WeakPolarHBondContact CD1-O 3.44Å; F166-Y170 HydrophobicContact CD1-CD1 4.27Å; F166-V306 HydrophobicContact CB-CG1 3.81Å; F166-V306 HydrophobicContact CD2-CG1 3.87Å; F166-V306 HydrophobicContact CG-CG1 4.02Å; F166-K307 WeakPolarHBondContact CD2-O 3.41Å; F166-I322 HydrophobicContact CE2-CB 4.36Å; F166-I322 HydrophobicContact CE2-CG2 4.45Å; F166-I322 VanDerWaalsContact CE2-O 3.31Å; F166-I322 WeakPolarHBondContact CE2-O 3.38Å; F166-I322 HydrophobicContact CZ-CB 4.41Å; F166-I322 HydrophobicContact CZ-CG2 4.05Å; F166-I322 WeakPolarHBondContact CZ-O 3.09Å; F166-I325 HydrophobicContact CD1-CD1 3.91Å; F166-I325 HydrophobicContact CD1-CG1 4.44Å; F166-I325 HydrophobicContact CD2-CD1 4.25Å; F166-I325 HydrophobicContact CE1-CD1 3.75Å; F166-I325 HydrophobicContact CE1-CG1 3.82Å; F166-I325 HydrophobicContact CE2-CD1 4.13Å; F166-I325 HydrophobicContact CG-CD1 4.16Å; F166-I325 HydrophobicContact CZ-CD1 3.88Å; F166-I325 HydrophobicContact CZ-CG1 3.9Å
167	K	98.3	Very high	97.6	Very high	136 Å²	136	54 Å²	54	59%	0.591	30%	0.296	S	S	*	.			trans	-90.4	-14.5	-179	-66.6	178.6	178.1	163.3	0	112.7	A165 E308	A165-K167 PolarHBondContact O-N 2.76Å; K167-E308 HydrophobicContact CD-CB 4.19Å; K167-E308 WeakPolarHBondContact CE-OE2 3.38Å; K167-E308 HydrophobicContact CG-CB 4.35Å; K167-E308 PolarHBondContact N-O 2.93Å; K167-E308 IonicContact NZ-OE1 3.33Å; K167-E308 PolarHBondContact NZ-OE1 3.39Å; K167-E308 VanDerWaalsContact NZ-OE1 3.07Å; K167-E308 IonicContact NZ-OE2 2.7Å; K167-E308 PolarHBondContact NZ-OE2 3.44Å
168	G	97.9	Very high	97.7	Very high	24 Å²	24	54.7 Å²	54.7	25%	0.247	30%	0.298	C	S	.	.	S	Bend	trans	-75.3	-179.7	172.5	0	0	0	0	0	112.9	F166 D323	F166-G168 WeakPolarHBondContact CD1-O 3.44Å; G168-D323 WeakPolarHBondContact CA-O 3.14Å
169	Q	98.3	Very high	97.9	Very high	107 Å²	107	48 Å²	48	50%	0.5	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139	179.3	-172.4	-177.4	11.7	0	0	110.6	F171 D323 I324 I325	Q169-F171 HydrophobicContact CG-CD1 4.15Å; Q169-D323 PolarHBondContact N-O 3.19Å; Q169-I324 HydrophobicContact CB-CG1 4.43Å; Q169-I324 CarbonylContact O-C 3.58Å; Q169-I324 VanDerWaalsContact O-CA 3.26Å; Q169-I324 WeakPolarHBondContact O-CA 3.33Å; Q169-I325 PolarHBondContact O-N 2.91Å
170	Y	98.5	Very high	98	Very high	83 Å²	83	49.7 Å²	49.7	33%	0.325	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.4	165.6	73.4	-89.2	0	0	0	112.8	L157 I163 F166 I325 F327	L157-Y170 HydrophobicContact CD2-CE2 4.1Å; I163-Y170 HydrophobicContact CD1-CD1 4.32Å; I163-Y170 HydrophobicContact CD1-CG 4.41Å; I163-Y170 HydrophobicContact CG1-CE1 4.5Å; F166-Y170 HydrophobicContact CD1-CD1 4.27Å; Y170-I325 WeakPolarHBondContact CA-O 3.23Å; Y170-I325 WeakPolarHBondContact CB-O 3.37Å; Y170-F327 HydrophobicContact CD2-CD2 4.05Å; Y170-F327 AromaticContact CD2-CE2 3.52Å; Y170-F327 HydrophobicContact CD2-CE2 3.52Å; Y170-F327 HydrophobicContact CE2-CE2 4.38Å; Y170-F327 AromaticContact CG-CE2 3.98Å; Y170-F327 HydrophobicContact CG-CE2 3.98Å
171	F	98.6	Very high	98.1	Very high	21 Å²	21	52.1 Å²	52.1	9%	0.092	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161.4	178.8	53.3	-91.1	0	0	0	111.3	Q169 Q175 Y176 I181 F182 I324 I325 V326 F327	Q169-F171 HydrophobicContact CG-CD1 4.15Å; F171-Q175 HydrophobicContact CB-CB 4.13Å; F171-Q175 HydrophobicContact CD2-CB 4.16Å; F171-Q175 HydrophobicContact CG-CB 4.44Å; F171-Y176 HydrophobicContact CE2-CD2 4.32Å; F171-I181 HydrophobicContact CE1-CD1 3.85Å; F171-I181 HydrophobicContact CE2-CD1 4.33Å; F171-I181 HydrophobicContact CZ-CD1 3.4Å; F171-I181 VanDerWaalsContact CZ-CD1 3.4Å; F171-F182 AromaticContact CZ-CE1 3.97Å; F171-F182 HydrophobicContact CZ-CE1 3.97Å; F171-F182 HydrophobicContact CZ-CZ 4.15Å; F171-I324 HydrophobicContact CE1-CG2 3.7Å; F171-I324 HydrophobicContact CZ-CG2 4.21Å; F171-I325 PolarHBondContact N-O 3.37Å; F171-I325 VanDerWaalsContact N-O 3.09Å; F171-V326 HydrophobicContact CD2-CG1 4.32Å; F171-V326 HydrophobicContact CE1-CG2 4.4Å; F171-V326 HydrophobicContact CE2-CB 4.39Å; F171-V326 HydrophobicContact CE2-CG1 3.89Å; F171-V326 HydrophobicContact CE2-CG2 3.81Å; F171-V326 HydrophobicContact CZ-CG2 3.66Å; F171-V326 WeakPolarHBondContact O-CA 3.36Å; F171-F327 PolarHBondContact O-N 3.01Å
172	H	98.7	Very high	98.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	150.4	172.5	-178.4	-93.9	0	0	0	110.7	P153 R174 Q175 F327 T329 G330 Y331	P153-H172 HydrophobicContact CB-CB 4.29Å; P153-H172 WeakPolarHBondContact CB-ND1 3.43Å; H172-R174 WeakPolarHBondContact ND1-CB 3.28Å; H172-R174 PolarHBondContact ND1-N 2.82Å; H172-R174 VanDerWaalsContact ND1-N 3.15Å; H172-R174 PolarHBondContact O-N 2.84Å; H172-Q175 WeakPolarHBondContact O-CB 3.41Å; H172-Q175 PolarHBondContact O-N 3.45Å; H172-Q175 PolarHBondContact O-OE1 3Å; H172-F327 CarbonylContact C-O 3.57Å; H172-F327 WeakPolarHBondContact CA-O 3.48Å; H172-F327 PolarHBondContact CD2-O 3.16Å; H172-F327 PolarHBondContact NE2-O 2.76Å; H172-T329 PolarHBondContact CD2-OG1 2.85Å; H172-G330 PolarHBondContact CE1-O 3.11Å; H172-G330 VanDerWaalsContact CE1-O 3.22Å; H172-G330 PolarHBondContact NE2-O 2.99Å; H172-Y331 AromaticContact CE1-CE1 3.85Å; H172-Y331 AromaticContact CE1-CZ 3.74Å
173	S	98.4	Very high	98.3	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.042	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-49	-27.1	178.1	57.1	0	0	0	0	114.5	Q175 Y176 F327	S173-Q175 PolarHBondContact O-N 3.18Å; S173-Y176 VanDerWaalsContact O-CB 3.32Å; S173-Y176 WeakPolarHBondContact O-CB 3.31Å; S173-Y176 PolarHBondContact O-N 2.87Å; S173-Y176 VanDerWaalsContact O-N 3.14Å; S173-F327 PolarHBondContact N-O 3.37Å
174	R	98.4	Very high	98.3	Very high	16 Å²	16	58.5 Å²	58.5	6%	0.06	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.2	-35	174	-178.4	-180	168.6	73.6	10.7	113	V47 E48 R51 S53 T151 P153 H172 Y176 Y331	V47-R174 HydrophobicContact CG1-CG 4.34Å; E48-R174 PolarHBondContact O-NH2 2.84Å; R51-R174 VanDerWaalsContact O-CZ 3.24Å; R51-R174 PolarHBondContact O-NH1 3.47Å; R51-R174 PolarHBondContact O-NH2 3.25Å; S53-R174 WeakPolarHBondContact CB-O 3.48Å; S53-R174 PolarHBondContact OG-O 2.94Å; T151-R174 WeakPolarHBondContact O-CD 3.15Å; T151-R174 PolarHBondContact O-NE 3.28Å; T151-R174 PolarHBondContact O-NH1 3.26Å; P153-R174 HydrophobicContact CB-CB 4.49Å; H172-R174 WeakPolarHBondContact ND1-CB 3.28Å; H172-R174 PolarHBondContact ND1-N 2.82Å; H172-R174 VanDerWaalsContact ND1-N 3.15Å; H172-R174 PolarHBondContact O-N 2.84Å; R174-Y176 VanDerWaalsContact C-N 3.33Å; R174-Y331 WeakPolarHBondContact CA-OH 3.25Å; R174-Y331 HydrophobicContact CB-CE1 3.93Å; R174-Y331 HydrophobicContact CG-CE1 4.24Å
175	Q	98.6	Very high	98.4	Very high	88 Å²	88	55.9 Å²	55.9	41%	0.411	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-81.5	-13.5	-179.1	-76.6	72.3	22.3	0	0	113	F171 H172 S173	F171-Q175 HydrophobicContact CB-CB 4.13Å; F171-Q175 HydrophobicContact CD2-CB 4.16Å; F171-Q175 HydrophobicContact CG-CB 4.44Å; H172-Q175 WeakPolarHBondContact O-CB 3.41Å; H172-Q175 PolarHBondContact O-N 3.45Å; H172-Q175 PolarHBondContact O-OE1 3Å; S173-Q175 PolarHBondContact O-N 3.18Å
176	Y	98.7	Very high	98.5	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	27%	0.269	C	S	.	.			trans	-71.2	140.2	-178.6	-178.4	-117.2	0	0	0	112.2	Y55 F171 S173 R174 H178 P179 I181 F182 I199 E202	Y55-Y176 AromaticContact CD1-CD1 3.96Å; Y55-Y176 HydrophobicContact CD1-CD1 3.96Å; Y55-Y176 HydrophobicContact CD1-CE1 4.5Å; Y55-Y176 HydrophobicContact CD2-CD1 4.3Å; Y55-Y176 HydrophobicContact CD2-CE1 4.04Å; Y55-Y176 AromaticContact CG-CD1 3.62Å; Y55-Y176 HydrophobicContact CG-CD1 3.62Å; Y55-Y176 AromaticContact CG-CE1 3.81Å; Y55-Y176 HydrophobicContact CG-CE1 3.81Å; F171-Y176 HydrophobicContact CE2-CD2 4.32Å; S173-Y176 VanDerWaalsContact O-CB 3.32Å; S173-Y176 WeakPolarHBondContact O-CB 3.31Å; S173-Y176 PolarHBondContact O-N 2.87Å; S173-Y176 VanDerWaalsContact O-N 3.14Å; R174-Y176 VanDerWaalsContact C-N 3.33Å; Y176-H178 WeakPolarHBondContact CE2-O 3.2Å; Y176-P179 VanDerWaalsContact OH-CA 3.25Å; Y176-P179 WeakPolarHBondContact OH-CA 3.38Å; Y176-P179 WeakPolarHBondContact OH-CB 3.32Å; Y176-I181 HydrophobicContact CD2-CD1 4.13Å; Y176-I181 HydrophobicContact CE2-CD1 4.31Å; Y176-F182 AromaticContact CD2-CE2 3.98Å; Y176-F182 HydrophobicContact CD2-CE2 3.98Å; Y176-F182 AromaticContact CD2-CZ 3.81Å; Y176-F182 HydrophobicContact CD2-CZ 3.81Å; Y176-F182 HydrophobicContact CE2-CD2 4.23Å; Y176-F182 AromaticContact CE2-CE2 3.21Å; Y176-F182 HydrophobicContact CE2-CE2 3.21Å; Y176-F182 AromaticContact CE2-CZ 3.53Å; Y176-F182 HydrophobicContact CE2-CZ 3.53Å; Y176-F182 AromaticContact CZ-CE2 3.7Å; Y176-I199 HydrophobicContact CD1-CB 4.48Å; Y176-I199 HydrophobicContact CD1-CD1 3.63Å; Y176-I199 HydrophobicContact CD1-CG1 3.45Å; Y176-I199 VanDerWaalsContact CD1-CG1 3.45Å; Y176-I199 HydrophobicContact CD1-CG2 4.31Å; Y176-I199 HydrophobicContact CE1-CB 4.46Å; Y176-I199 HydrophobicContact CE1-CD1 4.39Å; Y176-I199 HydrophobicContact CE1-CG1 3.71Å; Y176-I199 HydrophobicContact CE1-CG2 4.3Å; Y176-I199 HydrophobicContact CG-CD1 4.03Å; Y176-I199 HydrophobicContact CG-CG1 4.21Å; Y176-I199 HydrophobicContact CG-CG2 4.5Å; Y176-E202 WeakPolarHBondContact CE1-OE2 3.26Å; Y176-E202 VanDerWaalsContact CZ-OE2 3.23Å; Y176-E202 PolarHBondContact OH-OE2 3.5Å
177	K	98.5	Very high	98.5	Very high	21 Å²	21	55.8 Å²	55.8	9%	0.091	27%	0.266	C	S	.	.			trans	-135.9	-55.4	-178.5	-67.1	-68.1	171.7	-178.3	0	113.5	F43 T44 E45 S53 L54 K56	F43-K177 HydrophobicContact CE2-CD 3.94Å; F43-K177 HydrophobicContact CZ-CD 4.4Å; T44-K177 WeakPolarHBondContact O-CE 3.15Å; T44-K177 PolarHBondContact O-NZ 2.92Å; E45-K177 WeakPolarHBondContact O-CD 3.38Å; E45-K177 WeakPolarHBondContact O-CE 3.48Å; S53-K177 WeakPolarHBondContact OG-CE 3.4Å; S53-K177 PolarHBondContact OG-NZ 3.12Å; L54-K177 WeakPolarHBondContact O-CD 3.39Å; L54-K177 PolarHBondContact O-NZ 2.61Å; K56-K177 PolarHBondContact N-O 2.73Å
178	H	98.6	Very high	98.5	Very high	61 Å²	61	49.3 Å²	49.3	28%	0.282	24%	0.238	S	C	.	.			trans	-135.3	148.3	-174.8	-61.6	-77.4	0	0	0	110.7	E45 Y176 D180	E45-H178 IonicContact OE1-CE1 3.34Å; E45-H178 IonicContact OE1-NE2 2.78Å; E45-H178 PolarHBondContact OE1-NE2 2.68Å; E45-H178 IonicContact OE2-CD2 3.32Å; E45-H178 PolarHBondContact OE2-CD2 2.74Å; E45-H178 IonicContact OE2-CE1 2.69Å; E45-H178 IonicContact OE2-NE2 3.07Å; E45-H178 PolarHBondContact OE2-NE2 3.37Å; Y176-H178 WeakPolarHBondContact CE2-O 3.2Å; H178-D180 VanDerWaalsContact C-N 3.3Å; H178-D180 PolarHBondContact O-N 2.85Å
179	P	98.3	Very high	98.6	Very high	24 Å²	24	48.1 Å²	48.1	16%	0.156	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-77.1	-11.1	-174.2	30.4	-35.9	0	0	0	114.5	Y176 I181 F182 E202 L206	Y176-P179 VanDerWaalsContact OH-CA 3.25Å; Y176-P179 WeakPolarHBondContact OH-CA 3.38Å; Y176-P179 WeakPolarHBondContact OH-CB 3.32Å; P179-I181 PolarHBondContact O-N 3.26Å; P179-F182 HydrophobicContact CB-CD2 4.2Å; P179-F182 VanDerWaalsContact O-CB 3.31Å; P179-F182 WeakPolarHBondContact O-CB 3.07Å; P179-F182 WeakPolarHBondContact O-CD2 3.44Å; P179-F182 PolarHBondContact O-N 3.05Å; P179-E202 HydrophobicContact CB-CG 3.93Å; P179-E202 HydrophobicContact CG-CG 4.14Å; P179-L206 HydrophobicContact CB-CD1 3.97Å; P179-L206 HydrophobicContact CG-CD1 4.13Å
180	D	98.5	Very high	98.6	Very high	113 Å²	113	43.4 Å²	43.4	60%	0.604	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-54.2	-31.4	-174.9	-60.1	-100.9	0	0	0	113.6	H178 F182 K183	H178-D180 VanDerWaalsContact C-N 3.3Å; H178-D180 PolarHBondContact O-N 2.85Å; D180-F182 PolarHBondContact O-N 3.17Å; D180-F182 VanDerWaalsContact O-N 3.12Å; D180-K183 WeakPolarHBondContact O-CB 3.46Å; D180-K183 PolarHBondContact O-N 2.9Å; D180-K183 VanDerWaalsContact O-N 3.14Å
181	I	98.4	Very high	98.5	Very high	73 Å²	73	40.4 Å²	40.4	37%	0.374	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.3	176.3	61.6	173.3	0	0	0	113.3	F171 Y176 P179 I324	F171-I181 HydrophobicContact CE1-CD1 3.85Å; F171-I181 HydrophobicContact CE2-CD1 4.33Å; F171-I181 HydrophobicContact CZ-CD1 3.4Å; F171-I181 VanDerWaalsContact CZ-CD1 3.4Å; Y176-I181 HydrophobicContact CD2-CD1 4.13Å; Y176-I181 HydrophobicContact CE2-CD1 4.31Å; P179-I181 PolarHBondContact O-N 3.26Å; I181-I324 WeakPolarHBondContact O-CD1 3.36Å
182	F	98.6	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-92.3	-3.5	-178.3	-54.7	-47.1	0	0	0	113.7	F171 Y176 P179 D180 D184 K185 V187 I199 A203 A207 I324 V326	F171-F182 AromaticContact CZ-CE1 3.97Å; F171-F182 HydrophobicContact CZ-CE1 3.97Å; F171-F182 HydrophobicContact CZ-CZ 4.15Å; Y176-F182 AromaticContact CD2-CE2 3.98Å; Y176-F182 HydrophobicContact CD2-CE2 3.98Å; Y176-F182 AromaticContact CD2-CZ 3.81Å; Y176-F182 HydrophobicContact CD2-CZ 3.81Å; Y176-F182 HydrophobicContact CE2-CD2 4.23Å; Y176-F182 AromaticContact CE2-CE2 3.21Å; Y176-F182 HydrophobicContact CE2-CE2 3.21Å; Y176-F182 AromaticContact CE2-CZ 3.53Å; Y176-F182 HydrophobicContact CE2-CZ 3.53Å; Y176-F182 AromaticContact CZ-CE2 3.7Å; P179-F182 HydrophobicContact CB-CD2 4.2Å; P179-F182 VanDerWaalsContact O-CB 3.31Å; P179-F182 WeakPolarHBondContact O-CB 3.07Å; P179-F182 WeakPolarHBondContact O-CD2 3.44Å; P179-F182 PolarHBondContact O-N 3.05Å; D180-F182 PolarHBondContact O-N 3.17Å; D180-F182 VanDerWaalsContact O-N 3.12Å; F182-D184 PolarHBondContact O-N 3.03Å; F182-K185 WeakPolarHBondContact O-CB 3.43Å; F182-K185 PolarHBondContact O-N 3.42Å; F182-V187 HydrophobicContact CB-CG2 3.94Å; F182-V187 HydrophobicContact CD1-CG1 4.04Å; F182-V187 HydrophobicContact CD1-CG2 3.64Å; F182-V187 HydrophobicContact CE1-CG1 4.06Å; F182-V187 HydrophobicContact CE1-CG2 4.46Å; F182-V187 HydrophobicContact CG-CG2 4.03Å; F182-I199 HydrophobicContact CE2-CG2 4.13Å; F182-I199 HydrophobicContact CZ-CG2 4.02Å; F182-A203 HydrophobicContact CB-CB 4.22Å; F182-A203 HydrophobicContact CD2-CB 3.45Å; F182-A203 VanDerWaalsContact CD2-CB 3.45Å; F182-A203 HydrophobicContact CE2-CB 3.83Å; F182-A203 HydrophobicContact CG-CB 3.84Å; F182-A207 HydrophobicContact CB-CB 4.39Å; F182-A207 VanDerWaalsContact O-CA 3.23Å; F182-A207 WeakPolarHBondContact O-CA 3.45Å; F182-I324 HydrophobicContact CD1-CD1 4.08Å; F182-I324 HydrophobicContact CD1-CG2 4.38Å; F182-I324 HydrophobicContact CE1-CG2 4.03Å; F182-V326 HydrophobicContact CE1-CG2 3.85Å; F182-V326 HydrophobicContact CZ-CG2 3.94Å
183	K	98.6	Very high	98.1	Very high	132 Å²	132	41.8 Å²	41.8	57%	0.574	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	122.7	-176	-176.6	177	178.7	-179.6	0	111.8	D180 K185	D180-K183 WeakPolarHBondContact O-CB 3.46Å; D180-K183 PolarHBondContact O-N 2.9Å; D180-K183 VanDerWaalsContact O-N 3.14Å; K183-K185 WeakPolarHBondContact O-CG 3.27Å; K183-K185 PolarHBondContact O-N 3.19Å; K183-K185 VanDerWaalsContact O-N 3.12Å
184	D	98.4	Very high	98	Very high	113 Å²	113	43 Å²	43	60%	0.604	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	23.8	-179.9	-54.1	-49.4	0	0	0	113.7	F182 L206	F182-D184 PolarHBondContact O-N 3.03Å; D184-L206 PolarHBondContact N-O 3.23Å
185	K	98.7	Very high	97.9	Very high	87 Å²	87	44.2 Å²	44.2	38%	0.378	23%	0.232	S	C	.	.			trans	-100.8	160.3	178.5	-59.3	-53.5	-177.3	179.8	0	112.7	F182 K183 V187 A207 E208 K209 D323 I324	F182-K185 WeakPolarHBondContact O-CB 3.43Å; F182-K185 PolarHBondContact O-N 3.42Å; K183-K185 WeakPolarHBondContact O-CG 3.27Å; K183-K185 PolarHBondContact O-N 3.19Å; K183-K185 VanDerWaalsContact O-N 3.12Å; K185-V187 HydrophobicContact CB-CG2 4.12Å; K185-A207 WeakPolarHBondContact O-CB 3.28Å; K185-E208 PolarHBondContact O-N 3.33Å; K185-K209 PolarHBondContact O-N 2.77Å; K185-D323 HydrophobicContact CB-CB 4.23Å; K185-D323 HydrophobicContact CD-CB 4.09Å; K185-I324 HydrophobicContact CB-CD1 4.23Å; K185-I324 HydrophobicContact CG-CD1 3.88Å; K185-I324 HydrophobicContact CG-CG1 4.44Å
186	R	98.8	Very high	97.9	Very high	61 Å²	61	40 Å²	40	23%	0.23	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109	166.6	-64.5	169.9	175.8	-103.7	-0.8	108.8	E208 K209 P321 D323 I324	R186-E208 IonicContact CZ-OE1 2.68Å; R186-E208 IonicContact CZ-OE2 2.6Å; R186-E208 IonicContact NE-OE1 2.65Å; R186-E208 IonicContact NE-OE2 3Å; R186-E208 PolarHBondContact NE-OE2 3.45Å; R186-E208 IonicContact NH2-OE1 3.62Å; R186-E208 PolarHBondContact NH2-OE1 2.95Å; R186-E208 IonicContact NH2-OE2 2.83Å; R186-E208 PolarHBondContact NH2-OE2 3.35Å; R186-K209 WeakPolarHBondContact CA-O 3.37Å; R186-K209 HydrophobicContact CG-CB 4.38Å; R186-P321 WeakPolarHBondContact CB-O 3.06Å; R186-P321 WeakPolarHBondContact CD-O 3.28Å; R186-D323 WeakPolarHBondContact CB-OD2 3.38Å; R186-D323 PolarHBondContact N-OD2 3.41Å; R186-D323 PolarHBondContact O-N 3.37Å; R186-I324 PolarHBondContact O-N 2.85Å; R186-I324 VanDerWaalsContact O-N 3.17Å
187	V	98.9	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.3	-170.5	-174.4	0	0	0	0	110.2	F182 K185 V189 A203 A207 K209 V210 F211 I324 V326	F182-V187 HydrophobicContact CB-CG2 3.94Å; F182-V187 HydrophobicContact CD1-CG1 4.04Å; F182-V187 HydrophobicContact CD1-CG2 3.64Å; F182-V187 HydrophobicContact CE1-CG1 4.06Å; F182-V187 HydrophobicContact CE1-CG2 4.46Å; F182-V187 HydrophobicContact CG-CG2 4.03Å; K185-V187 HydrophobicContact CB-CG2 4.12Å; V187-V189 HydrophobicContact CG1-CG2 4.15Å; V187-A203 HydrophobicContact CG1-CB 4.33Å; V187-A207 HydrophobicContact CG2-CB 3.94Å; V187-K209 PolarHBondContact N-O 2.9Å; V187-V210 HydrophobicContact CB-CG2 4.36Å; V187-V210 CarbonylContact O-C 3.44Å; V187-V210 WeakPolarHBondContact O-CA 3.4Å; V187-F211 PolarHBondContact O-N 3.43Å; V187-I324 CarbonylContact C-O 3.52Å; V187-I324 WeakPolarHBondContact CA-O 3.47Å; V187-V326 HydrophobicContact CG1-CG2 4.34Å
188	L	98.8	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.8	168.1	171.9	58.3	0	0	0	109.3	I190 F211 I303 V311 F313 I322 I324 I325 V326	L188-I190 HydrophobicContact CD2-CG1 4.34Å; L188-I190 HydrophobicContact CG-CG1 4.04Å; L188-F211 HydrophobicContact CD1-CB 3.8Å; L188-I303 HydrophobicContact CD2-CD1 3.79Å; L188-I303 HydrophobicContact CD2-CG1 4.41Å; L188-V311 HydrophobicContact CD2-CB 4.15Å; L188-V311 HydrophobicContact CD2-CG1 3.96Å; L188-V311 HydrophobicContact CD2-CG2 3.76Å; L188-F313 HydrophobicContact CD1-CE1 3.82Å; L188-F313 HydrophobicContact CD1-CZ 3.89Å; L188-F313 HydrophobicContact CD2-CE1 4.2Å; L188-F313 HydrophobicContact CD2-CZ 4.23Å; L188-I322 HydrophobicContact CB-CD1 3.92Å; L188-I322 HydrophobicContact CB-CG1 4.24Å; L188-I322 HydrophobicContact CB-CG2 3.85Å; L188-I324 PolarHBondContact N-O 3.45Å; L188-I325 HydrophobicContact CB-CG1 4.34Å; L188-I325 HydrophobicContact CD2-CG1 4.39Å; L188-I325 CarbonylContact O-C 3.58Å; L188-I325 VanDerWaalsContact O-CA 3.32Å; L188-I325 WeakPolarHBondContact O-CA 3.22Å; L188-V326 PolarHBondContact O-N 3.22Å
189	V	98.8	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.8	169.9	-172.7	0	0	0	0	109.3	V187 G196 I199 A200 F211 L212 S213 V326 A328	V187-V189 HydrophobicContact CG1-CG2 4.15Å; V189-G196 WeakPolarHBondContact CG1-O 3.25Å; V189-I199 HydrophobicContact CG2-CG2 4.29Å; V189-A200 HydrophobicContact CB-CB 4.08Å; V189-A200 HydrophobicContact CG2-CB 3.83Å; V189-F211 PolarHBondContact N-O 2.9Å; V189-L212 HydrophobicContact CB-CD1 3.99Å; V189-L212 HydrophobicContact CG1-CD1 4.06Å; V189-L212 WeakPolarHBondContact O-CA 3.21Å; V189-S213 PolarHBondContact O-N 3.13Å; V189-V326 CarbonylContact C-O 3.48Å; V189-V326 WeakPolarHBondContact CA-O 3.37Å; V189-V326 HydrophobicContact CG1-CB 4.36Å; V189-V326 HydrophobicContact CG2-CB 4.23Å; V189-V326 HydrophobicContact CG2-CG2 4.48Å; V189-A328 HydrophobicContact CG1-CB 4.18Å
190	I	98.4	Very high	97.9	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.2	-177.4	-58.3	172.6	0	0	0	109.3	F160 L188 I303 I325 V326 F327 A328 T329	F160-I190 HydrophobicContact CD1-CD1 4.32Å; F160-I190 HydrophobicContact CE1-CD1 4.05Å; F160-I190 HydrophobicContact CE1-CG2 3.68Å; F160-I190 HydrophobicContact CZ-CG2 3.67Å; L188-I190 HydrophobicContact CD2-CG1 4.34Å; L188-I190 HydrophobicContact CG-CG1 4.04Å; I190-I303 HydrophobicContact CD1-CD1 3.28Å; I190-I303 HydrophobicContact CG1-CD1 3.69Å; I190-I325 HydrophobicContact CD1-CG2 3.36Å; I190-I325 HydrophobicContact CG1-CG2 4.04Å; I190-V326 PolarHBondContact N-O 2.93Å; I190-F327 HydrophobicContact CB-CD1 4.36Å; I190-F327 HydrophobicContact CD1-CD1 3.74Å; I190-F327 HydrophobicContact CD1-CE1 3.4Å; I190-F327 VanDerWaalsContact CD1-CE1 3.4Å; I190-F327 HydrophobicContact CD1-CE2 4.48Å; I190-F327 HydrophobicContact CD1-CG 4.41Å; I190-F327 HydrophobicContact CD1-CZ 3.83Å; I190-A328 CarbonylContact O-C 3.54Å; I190-A328 VanDerWaalsContact O-CA 3.31Å; I190-A328 WeakPolarHBondContact O-CA 3.4Å; I190-A328 WeakPolarHBondContact O-CB 3.18Å; I190-A328 PolarHBondContact O-N 2.93Å; I190-T329 HydrophobicContact CG2-CG2 4.26Å
191	G	96.1	Very high	97.9	Very high	19 Å²	19	31 Å²	31	20%	0.196	17%	0.166	C	C	.	.			trans	98.6	123.7	179.5	0	0	0	0	0	111.8	G193 S213	G191-G193 VanDerWaalsContact C-N 3.31Å; G191-G193 PolarHBondContact O-N 3.05Å; G191-S213 PolarHBondContact N-O 3.31Å
192	M	95.4	Very high	97.9	Very high	18 Å²	18	28.7 Å²	28.7	9%	0.089	15%	0.154	C	C	.	.			trans	-97	45.3	-179.3	-162.1	170.4	83.7	0	0	111.5	L212 T214 G217 L271 V283	M192-L212 HydrophobicContact CG-CD2 4.07Å; M192-L212 HydrophobicContact SD-CD2 4.37Å; M192-T214 HydrophobicContact SD-CG2 4.48Å; M192-G217 VanDerWaalsContact CE-C 3.47Å; M192-L271 HydrophobicContact CE-CD2 3.99Å; M192-L271 HydrophobicContact SD-CD2 3.53Å; M192-L271 VanDerWaalsContact SD-CD2 3.53Å; M192-V283 HydrophobicContact CG-CG2 4.47Å; M192-V283 WeakPolarHBondContact O-CG2 3.15Å
193	G	93.4	Very high	98	Very high	36 Å²	36	28.7 Å²	28.7	37%	0.371	15%	0.154	S	C	.	.	S	Bend	trans	-78.8	169.2	164.3	0	0	0	0	0	110.5	G191 S195 G196 T197	G191-G193 VanDerWaalsContact C-N 3.31Å; G191-G193 PolarHBondContact O-N 3.05Å; G193-S195 VanDerWaalsContact C-N 3.28Å; G193-S195 PolarHBondContact O-N 2.98Å; G193-G196 PolarHBondContact O-N 3.22Å; G193-T197 PolarHBondContact O-N 3.25Å; G193-T197 PolarHBondContact O-OG1 3.3Å
194	N	96.3	Very high	98	Very high	31 Å²	31	22.7 Å²	22.7	17%	0.166	13%	0.128	C	C	.	.	H	α-helix	trans	-48.7	-48	179.4	-77	-54.2	0	0	0	112.6	G196 T197 D198 E281 F282 V283 L284	N194-G196 PolarHBondContact O-N 3.15Å; N194-T197 PolarHBondContact O-N 3.39Å; N194-D198 WeakPolarHBondContact O-CB 3.36Å; N194-D198 PolarHBondContact O-N 3.18Å; N194-E281 PolarHBondContact ND2-OE1 3.39Å; N194-F282 PolarHBondContact ND2-O 3.16Å; N194-V283 WeakPolarHBondContact OD1-CA 3.42Å; N194-L284 PolarHBondContact OD1-N 2.84Å
195	S	97.4	Very high	98	Very high	42 Å²	42	21.7 Å²	21.7	29%	0.294	12%	0.12	S	C	.	.	H	α-helix	trans	-63.2	-40.5	176.4	-49.8	0	0	0	0	113.6	G193 I199	G193-S195 VanDerWaalsContact C-N 3.28Å; G193-S195 PolarHBondContact O-N 2.98Å; S195-I199 WeakPolarHBondContact O-CB 3.37Å; S195-I199 WeakPolarHBondContact O-CD1 3.37Å; S195-I199 WeakPolarHBondContact O-CG1 3.31Å; S195-I199 PolarHBondContact O-N 2.82Å
196	G	98	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-40.6	-179.6	0	0	0	0	0	112.2	V189 G193 N194 A200	V189-G196 WeakPolarHBondContact CG1-O 3.25Å; G193-G196 PolarHBondContact O-N 3.22Å; N194-G196 PolarHBondContact O-N 3.15Å; G196-A200 VanDerWaalsContact O-CB 3.27Å; G196-A200 WeakPolarHBondContact O-CB 3.25Å; G196-A200 PolarHBondContact O-N 2.93Å
197	T	98.4	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-47.5	175.3	-63.6	0	0	0	0	111.9	G193 N194 I199 A200 V201 V283 N285 L288	G193-T197 PolarHBondContact O-N 3.25Å; G193-T197 PolarHBondContact O-OG1 3.3Å; N194-T197 PolarHBondContact O-N 3.39Å; T197-I199 PolarHBondContact O-N 3.41Å; T197-A200 PolarHBondContact O-N 3.15Å; T197-V201 WeakPolarHBondContact O-CG2 3.43Å; T197-V201 PolarHBondContact O-N 2.66Å; T197-V283 HydrophobicContact CG2-CG1 3.74Å; T197-V283 WeakPolarHBondContact OG1-CG1 3.49Å; T197-N285 HydrophobicContact CG2-CB 3.61Å; T197-L288 HydrophobicContact CG2-CB 4.01Å; T197-L288 HydrophobicContact CG2-CD1 4.23Å; T197-L288 HydrophobicContact CG2-CD2 3.72Å; T197-L288 HydrophobicContact CG2-CG 4.18Å
198	D	98.7	Very high	97.9	Very high	26 Å²	26	23.7 Å²	23.7	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-45.2	178.3	-75.9	4.2	0	0	0	111.2	Y55 N194 A200 V201 E202 N285	Y55-D198 HydrophobicContact CE2-CB 4.16Å; Y55-D198 WeakPolarHBondContact OH-CB 3.26Å; Y55-D198 PolarHBondContact OH-OD2 2.82Å; Y55-D198 VanDerWaalsContact OH-OD2 3.08Å; N194-D198 WeakPolarHBondContact O-CB 3.36Å; N194-D198 PolarHBondContact O-N 3.18Å; D198-A200 PolarHBondContact O-N 3.45Å; D198-V201 PolarHBondContact O-N 3.18Å; D198-E202 WeakPolarHBondContact O-CB 3.47Å; D198-E202 PolarHBondContact O-N 2.94Å; D198-N285 PolarHBondContact OD1-ND2 2.6Å
199	I	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-40.7	177.6	-65.3	169.3	0	0	0	111.6	Y55 Y176 F182 V189 S195 T197 E202 A203 V326	Y55-I199 HydrophobicContact CD1-CG1 4.5Å; Y55-I199 HydrophobicContact CE1-CG1 4.4Å; Y176-I199 HydrophobicContact CD1-CB 4.48Å; Y176-I199 HydrophobicContact CD1-CD1 3.63Å; Y176-I199 HydrophobicContact CD1-CG1 3.45Å; Y176-I199 VanDerWaalsContact CD1-CG1 3.45Å; Y176-I199 HydrophobicContact CD1-CG2 4.31Å; Y176-I199 HydrophobicContact CE1-CB 4.46Å; Y176-I199 HydrophobicContact CE1-CD1 4.39Å; Y176-I199 HydrophobicContact CE1-CG1 3.71Å; Y176-I199 HydrophobicContact CE1-CG2 4.3Å; Y176-I199 HydrophobicContact CG-CD1 4.03Å; Y176-I199 HydrophobicContact CG-CG1 4.21Å; Y176-I199 HydrophobicContact CG-CG2 4.5Å; F182-I199 HydrophobicContact CE2-CG2 4.13Å; F182-I199 HydrophobicContact CZ-CG2 4.02Å; V189-I199 HydrophobicContact CG2-CG2 4.29Å; S195-I199 WeakPolarHBondContact O-CB 3.37Å; S195-I199 WeakPolarHBondContact O-CD1 3.37Å; S195-I199 WeakPolarHBondContact O-CG1 3.31Å; S195-I199 PolarHBondContact O-N 2.82Å; T197-I199 PolarHBondContact O-N 3.41Å; I199-E202 PolarHBondContact O-N 2.84Å; I199-A203 VanDerWaalsContact O-CB 3.24Å; I199-A203 WeakPolarHBondContact O-CB 3.41Å; I199-A203 PolarHBondContact O-N 3.12Å; I199-V326 HydrophobicContact CD1-CG1 4.33Å; I199-V326 HydrophobicContact CG2-CG1 4.24Å; I199-V326 HydrophobicContact CG2-CG2 4.47Å
200	A	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177.9	0	0	0	0	0	111.9	V189 G196 T197 D198 S204 V210 L212	V189-A200 HydrophobicContact CB-CB 4.08Å; V189-A200 HydrophobicContact CG2-CB 3.83Å; G196-A200 VanDerWaalsContact O-CB 3.27Å; G196-A200 WeakPolarHBondContact O-CB 3.25Å; G196-A200 PolarHBondContact O-N 2.93Å; T197-A200 PolarHBondContact O-N 3.15Å; D198-A200 PolarHBondContact O-N 3.45Å; A200-S204 WeakPolarHBondContact O-CB 3.18Å; A200-S204 PolarHBondContact O-N 3.05Å; A200-S204 VanDerWaalsContact O-N 3.17Å; A200-V210 HydrophobicContact CB-CG1 4.09Å; A200-L212 HydrophobicContact CB-CB 4.24Å; A200-L212 HydrophobicContact CB-CD1 4.08Å; A200-L212 HydrophobicContact CB-CD2 4.23Å; A200-L212 HydrophobicContact CB-CG 4.42Å
201	V	98.8	Very high	97.9	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.03	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-47.6	173.4	166.4	0	0	0	0	110.1	T197 D198 A203 S204 E287 L288 R291	T197-V201 WeakPolarHBondContact O-CG2 3.43Å; T197-V201 PolarHBondContact O-N 2.66Å; D198-V201 PolarHBondContact O-N 3.18Å; V201-A203 PolarHBondContact O-N 3.39Å; V201-S204 VanDerWaalsContact O-CB 3.32Å; V201-S204 WeakPolarHBondContact O-CB 3.32Å; V201-S204 PolarHBondContact O-N 2.87Å; V201-S204 PolarHBondContact O-OG 2.62Å; V201-E287 HydrophobicContact CG1-CB 3.59Å; V201-E287 HydrophobicContact CG1-CG 4.31Å; V201-E287 HydrophobicContact CG2-CB 4.44Å; V201-L288 HydrophobicContact CG2-CB 3.98Å; V201-L288 HydrophobicContact CG2-CD1 4.12Å; V201-R291 HydrophobicContact CG1-CG 4.21Å; V201-R291 HydrophobicContact CG2-CG 4.22Å
202	E	98.7	Very high	98	Very high	25 Å²	25	24.2 Å²	24.2	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-42.1	-176.8	-159.8	178.3	-149.9	0	0	112	S57 Y176 P179 D198 I199 S204 H205	S57-E202 WeakPolarHBondContact CB-OE1 3.48Å; S57-E202 PolarHBondContact OG-OE1 3.14Å; S57-E202 PolarHBondContact OG-OE2 2.88Å; Y176-E202 WeakPolarHBondContact CE1-OE2 3.26Å; Y176-E202 VanDerWaalsContact CZ-OE2 3.23Å; Y176-E202 PolarHBondContact OH-OE2 3.5Å; P179-E202 HydrophobicContact CB-CG 3.93Å; P179-E202 HydrophobicContact CG-CG 4.14Å; D198-E202 WeakPolarHBondContact O-CB 3.47Å; D198-E202 PolarHBondContact O-N 2.94Å; I199-E202 PolarHBondContact O-N 2.84Å; E202-S204 PolarHBondContact O-N 3.39Å; E202-H205 VanDerWaalsContact CA-CD2 3.49Å; E202-H205 WeakPolarHBondContact CA-CD2 3.28Å; E202-H205 PolarHBondContact O-CD2 2.51Å; E202-H205 PolarHBondContact O-N 2.82Å
203	A	98.8	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-36.5	172.6	0	0	0	0	0	111.7	F182 V187 I199 V201 H205 L206 A207 V210	F182-A203 HydrophobicContact CB-CB 4.22Å; F182-A203 HydrophobicContact CD2-CB 3.45Å; F182-A203 VanDerWaalsContact CD2-CB 3.45Å; F182-A203 HydrophobicContact CE2-CB 3.83Å; F182-A203 HydrophobicContact CG-CB 3.84Å; V187-A203 HydrophobicContact CG1-CB 4.33Å; I199-A203 VanDerWaalsContact O-CB 3.24Å; I199-A203 WeakPolarHBondContact O-CB 3.41Å; I199-A203 PolarHBondContact O-N 3.12Å; V201-A203 PolarHBondContact O-N 3.39Å; A203-H205 PolarHBondContact O-N 2.99Å; A203-H205 VanDerWaalsContact O-N 3.09Å; A203-L206 PolarHBondContact O-N 3.22Å; A203-A207 WeakPolarHBondContact O-CB 3.13Å; A203-A207 PolarHBondContact O-N 3.33Å; A203-V210 HydrophobicContact CB-CG2 3.95Å
204	S	98.7	Very high	98.1	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.035	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.8	-176.6	84.9	0	0	0	0	114.7	A200 V201 E202 R291	A200-S204 WeakPolarHBondContact O-CB 3.18Å; A200-S204 PolarHBondContact O-N 3.05Å; A200-S204 VanDerWaalsContact O-N 3.17Å; V201-S204 VanDerWaalsContact O-CB 3.32Å; V201-S204 WeakPolarHBondContact O-CB 3.32Å; V201-S204 PolarHBondContact O-N 2.87Å; V201-S204 PolarHBondContact O-OG 2.62Å; E202-S204 PolarHBondContact O-N 3.39Å; S204-R291 VanDerWaalsContact OG-CD 3.26Å; S204-R291 WeakPolarHBondContact OG-CD 3.41Å
205	H	98.6	Very high	97.7	Very high	92 Å²	92	26.3 Å²	26.3	43%	0.426	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-28.2	172	-58.2	-68.8	0	0	0	112.9	E202 A203 E287 R291	E202-H205 VanDerWaalsContact CA-CD2 3.49Å; E202-H205 WeakPolarHBondContact CA-CD2 3.28Å; E202-H205 PolarHBondContact O-CD2 2.51Å; E202-H205 PolarHBondContact O-N 2.82Å; A203-H205 PolarHBondContact O-N 2.99Å; A203-H205 VanDerWaalsContact O-N 3.09Å; H205-E287 IonicContact CE1-OE2 2.74Å; H205-E287 PolarHBondContact CE1-OE2 3.26Å; H205-E287 IonicContact NE2-OE2 2.81Å; H205-R291 VanDerWaalsContact CE1-CZ 3.44Å; H205-R291 PolarHBondContact CE1-NH2 3.05Å; H205-R291 PolarHBondContact ND1-NH2 3.41Å; H205-R291 VanDerWaalsContact ND1-NH2 3.16Å
206	L	98.4	Very high	97.2	Very high	65 Å²	65	24.6 Å²	24.6	34%	0.34	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-26	-170.9	-60.4	178.5	0	0	0	113.9	P179 D184 A203	P179-L206 HydrophobicContact CB-CD1 3.97Å; P179-L206 HydrophobicContact CG-CD1 4.13Å; D184-L206 PolarHBondContact N-O 3.23Å; A203-L206 PolarHBondContact O-N 3.22Å
207	A	98.6	Very high	96.9	Very high	12 Å²	12	25.2 Å²	25.2	10%	0.099	14%	0.136	C	C	.	.			trans	-72	150.2	-177.2	0	0	0	0	0	112.5	F182 K185 V187 A203 K209 V210	F182-A207 HydrophobicContact CB-CB 4.39Å; F182-A207 VanDerWaalsContact O-CA 3.23Å; F182-A207 WeakPolarHBondContact O-CA 3.45Å; K185-A207 WeakPolarHBondContact O-CB 3.28Å; V187-A207 HydrophobicContact CG2-CB 3.94Å; A203-A207 WeakPolarHBondContact O-CB 3.13Å; A203-A207 PolarHBondContact O-N 3.33Å; A207-K209 VanDerWaalsContact C-N 3.3Å; A207-V210 HydrophobicContact CB-CG2 3.6Å
208	E	98.2	Very high	96.6	Very high	114 Å²	114	25.4 Å²	25.4	53%	0.533	14%	0.138	S	C	.	.	S	Bend	trans	-63.2	-43	169.9	-167.9	-156.2	150.5	0	0	109.8	K185 R186	K185-E208 PolarHBondContact O-N 3.33Å; R186-E208 IonicContact CZ-OE1 2.68Å; R186-E208 IonicContact CZ-OE2 2.6Å; R186-E208 IonicContact NE-OE1 2.65Å; R186-E208 IonicContact NE-OE2 3Å; R186-E208 PolarHBondContact NE-OE2 3.45Å; R186-E208 IonicContact NH2-OE1 3.62Å; R186-E208 PolarHBondContact NH2-OE1 2.95Å; R186-E208 IonicContact NH2-OE2 2.83Å; R186-E208 PolarHBondContact NH2-OE2 3.35Å
209	K	97.8	Very high	96.4	Very high	38 Å²	38	24.4 Å²	24.4	17%	0.165	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	137.6	-177.9	-162.2	172.6	-175.2	-173.9	0	111.1	K185 R186 V187 A207 F211 F298 E320	K185-K209 PolarHBondContact O-N 2.77Å; R186-K209 WeakPolarHBondContact CA-O 3.37Å; R186-K209 HydrophobicContact CG-CB 4.38Å; V187-K209 PolarHBondContact N-O 2.9Å; A207-K209 VanDerWaalsContact C-N 3.3Å; K209-F211 HydrophobicContact CD-CE1 4.24Å; K209-F211 HydrophobicContact CD-CE2 3.83Å; K209-F211 HydrophobicContact CD-CZ 3.47Å; K209-F211 VanDerWaalsContact CD-CZ 3.47Å; K209-F211 HydrophobicContact CG-CE2 3.99Å; K209-F211 HydrophobicContact CG-CZ 3.98Å; K209-F298 HydrophobicContact CD-CE2 4.46Å; K209-F298 HydrophobicContact CG-CD2 4.09Å; K209-F298 HydrophobicContact CG-CE2 3.96Å; K209-E320 IonicContact NZ-OE1 3.19Å; K209-E320 IonicContact NZ-OE2 3.97Å; K209-E320 PolarHBondContact NZ-OE2 3.26Å
210	V	98.8	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.3	175.8	-174.1	0	0	0	0	111.1	V187 A200 A203 A207 V297 F298	V187-V210 HydrophobicContact CB-CG2 4.36Å; V187-V210 CarbonylContact O-C 3.44Å; V187-V210 WeakPolarHBondContact O-CA 3.4Å; A200-V210 HydrophobicContact CB-CG1 4.09Å; A203-V210 HydrophobicContact CB-CG2 3.95Å; A207-V210 HydrophobicContact CB-CG2 3.6Å; V210-V297 HydrophobicContact CB-CG2 4.21Å; V210-V297 HydrophobicContact CG1-CG2 4.29Å; V210-V297 WeakPolarHBondContact O-CA 3.4Å; V210-F298 PolarHBondContact O-N 3.43Å
211	F	98.6	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	169.8	-55.8	-86.5	0	0	0	109.8	V187 L188 V189 K209 F298 R300 F313 E320 I322	V187-F211 PolarHBondContact O-N 3.43Å; L188-F211 HydrophobicContact CD1-CB 3.8Å; V189-F211 PolarHBondContact N-O 2.9Å; K209-F211 HydrophobicContact CD-CE1 4.24Å; K209-F211 HydrophobicContact CD-CE2 3.83Å; K209-F211 HydrophobicContact CD-CZ 3.47Å; K209-F211 VanDerWaalsContact CD-CZ 3.47Å; K209-F211 HydrophobicContact CG-CE2 3.99Å; K209-F211 HydrophobicContact CG-CZ 3.98Å; F211-F298 CarbonylContact C-O 3.6Å; F211-F298 VanDerWaalsContact CA-O 3.3Å; F211-F298 WeakPolarHBondContact CA-O 3.29Å; F211-F298 HydrophobicContact CD1-CB 3.8Å; F211-F298 HydrophobicContact CE1-CB 4.25Å; F211-R300 HydrophobicContact CB-CG 4.15Å; F211-R300 HydrophobicContact CD1-CG 3.72Å; F211-R300 HydrophobicContact CG-CG 4.34Å; F211-F313 HydrophobicContact CB-CZ 4.4Å; F211-E320 HydrophobicContact CE1-CB 4.47Å; F211-E320 HydrophobicContact CE1-CG 4.03Å; F211-E320 HydrophobicContact CE2-CB 4.21Å; F211-E320 HydrophobicContact CZ-CB 3.87Å; F211-E320 VanDerWaalsContact CZ-CD 3.48Å; F211-E320 HydrophobicContact CZ-CG 3.84Å; F211-E320 WeakPolarHBondContact CZ-OE2 3.36Å; F211-I322 HydrophobicContact CD2-CD1 3.44Å; F211-I322 VanDerWaalsContact CD2-CD1 3.44Å; F211-I322 HydrophobicContact CE2-CD1 3.56Å
212	L	98.6	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.1	172.8	179.1	58	0	0	0	108.6	V189 M192 A200 L288 V297 F298 I299 R300	V189-L212 HydrophobicContact CB-CD1 3.99Å; V189-L212 HydrophobicContact CG1-CD1 4.06Å; V189-L212 WeakPolarHBondContact O-CA 3.21Å; M192-L212 HydrophobicContact CG-CD2 4.07Å; M192-L212 HydrophobicContact SD-CD2 4.37Å; A200-L212 HydrophobicContact CB-CB 4.24Å; A200-L212 HydrophobicContact CB-CD1 4.08Å; A200-L212 HydrophobicContact CB-CD2 4.23Å; A200-L212 HydrophobicContact CB-CG 4.42Å; L212-L288 HydrophobicContact CD2-CD1 4.07Å; L212-V297 HydrophobicContact CB-CG1 3.95Å; L212-F298 PolarHBondContact N-O 3.16Å; L212-I299 HydrophobicContact CB-CD1 3.96Å; L212-I299 HydrophobicContact CD2-CD1 3.94Å; L212-I299 HydrophobicContact CG-CD1 4.22Å; L212-I299 WeakPolarHBondContact O-CA 3.5Å; L212-R300 PolarHBondContact O-N 2.8Å
213	S	97.6	Very high	96	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.5	-178.3	169.5	0	0	0	0	110.8	V189 G191 R300 P301	V189-S213 PolarHBondContact O-N 3.13Å; G191-S213 PolarHBondContact N-O 3.31Å; S213-R300 WeakPolarHBondContact CA-O 3.45Å; S213-P301 PolarHBondContact OG-O 3.36Å
214	T	94.6	Very high	95.8	Very high	17 Å²	17	30.1 Å²	30.1	10%	0.104	16%	0.162	C	C	.	.			trans	-126.3	141.3	176.1	-171.9	0	0	0	0	111.1	M192 G217 I299 R300 P301 S302	M192-T214 HydrophobicContact SD-CG2 4.48Å; T214-G217 PolarHBondContact OG1-N 3.12Å; T214-I299 HydrophobicContact CG2-CG2 4.18Å; T214-R300 PolarHBondContact N-O 3.04Å; T214-P301 CarbonylContact O-C 3.4Å; T214-S302 PolarHBondContact O-N 2.69Å
215	T	86	Confident	95.6	Very high	109 Å²	109	31.8 Å²	31.8	67%	0.669	17%	0.168	S	C	*	.	S	Bend	trans	-89.2	-25.5	178.3	47.6	0	0	0	0	113.3
216	G	86.9	Confident	95.1	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	17%	0.165	C	C	.	.	S	Bend	trans	-152	25.2	-173.1	0	0	0	0	0	114.2	P273 E274 K280	G216-P273 VanDerWaalsContact O-CA 3.32Å; G216-P273 WeakPolarHBondContact O-CA 3.44Å; G216-E274 PolarHBondContact O-N 2.81Å; G216-K280 PolarHBondContact O-NZ 2.86Å; G216-K280 VanDerWaalsContact O-NZ 3.17Å
217	G	91.9	Very high	94.8	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	19%	0.185	C	C	.	.			trans	60.5	-171.7	179.7	0	0	0	0	0	114.3	M192 T214 L271	M192-G217 VanDerWaalsContact CE-C 3.47Å; T214-G217 PolarHBondContact OG1-N 3.12Å; G217-L271 WeakPolarHBondContact CA-O 3.22Å
218	G	92.3	Very high	94.5	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	20%	0.204	C	C	.	.			trans	-177.5	144.2	-177.6	0	0	0	0	0	111.3	L271	G218-L271 PolarHBondContact N-O 2.8Å; G218-L271 VanDerWaalsContact O-O 3.07Å
219	W	94.3	Very high	94.4	Very high	6 Å²	6	33 Å²	33	2%	0.023	20%	0.195	C	C	.	.			trans	-79.6	120.7	173.7	-64.4	119	0	0	0	109.2	V257 I260 N261 H266 I272 P273 F282 V283	W219-V257 HydrophobicContact CH2-CB 4.38Å; W219-V257 HydrophobicContact CH2-CG1 3.54Å; W219-V257 HydrophobicContact CH2-CG2 4.06Å; W219-V257 HydrophobicContact CZ2-CB 4.26Å; W219-V257 HydrophobicContact CZ2-CG1 3.82Å; W219-V257 HydrophobicContact CZ2-CG2 3.46Å; W219-V257 VanDerWaalsContact CZ2-CG2 3.46Å; W219-V257 HydrophobicContact CZ3-CG1 4.23Å; W219-I260 HydrophobicContact CB-CD1 4.27Å; W219-I260 HydrophobicContact CE3-CG2 4.09Å; W219-N261 WeakPolarHBondContact CZ3-ND2 3.42Å; W219-H266 HydrophobicContact CE3-CB 4.19Å; W219-H266 AromaticContact CE3-CD2 3.62Å; W219-H266 AromaticContact CE3-CG 3.67Å; W219-H266 AromaticContact CE3-ND1 3.99Å; W219-H266 AromaticContact CE3-NE2 3.93Å; W219-H266 HydrophobicContact CZ3-CB 3.72Å; W219-H266 AromaticContact CZ3-CG 3.65Å; W219-I272 HydrophobicContact CH2-CD1 4.43Å; W219-I272 HydrophobicContact CH2-CG1 4Å; W219-P273 HydrophobicContact CD2-CG 4.07Å; W219-P273 HydrophobicContact CG-CG 4.22Å; W219-P273 HydrophobicContact CZ2-CG 4.06Å; W219-F282 HydrophobicContact CB-CD1 3.66Å; W219-F282 HydrophobicContact CB-CE1 3.92Å; W219-F282 HydrophobicContact CG-CE1 4.42Å; W219-V283 PolarHBondContact O-N 3.38Å
220	V	96.1	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.9	177.5	-175.8	0	0	0	0	107.9	W263 H266 L271 V283 L288	V220-W263 HydrophobicContact CG1-CZ3 4.33Å; V220-W263 WeakPolarHBondContact O-CZ3 3.38Å; V220-H266 PolarHBondContact N-NE2 3.14Å; V220-H266 PolarHBondContact O-CE1 3.14Å; V220-H266 PolarHBondContact O-NE2 2.92Å; V220-L271 HydrophobicContact CG2-CD1 3.93Å; V220-L271 HydrophobicContact CG2-CD2 4.4Å; V220-V283 CarbonylContact C-O 3.59Å; V220-V283 VanDerWaalsContact CA-O 3.31Å; V220-V283 WeakPolarHBondContact CA-O 3.48Å; V220-V283 HydrophobicContact CG2-CB 4.12Å; V220-V283 HydrophobicContact CG2-CG1 4.32Å; V220-L288 HydrophobicContact CG1-CD2 4.28Å; V220-L288 HydrophobicContact CG2-CD2 3.88Å
221	I	96.4	Very high	94.4	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.6	172.7	70.8	-178.5	0	0	0	109.2	W231 I260 F282 V283 L284 N285	I221-W231 HydrophobicContact CD1-CD2 4.1Å; I221-W231 HydrophobicContact CD1-CE3 4.01Å; I221-W231 HydrophobicContact CD1-CG 4.41Å; I221-I260 HydrophobicContact CG2-CD1 3.93Å; I221-I260 HydrophobicContact CG2-CG1 3.85Å; I221-I260 HydrophobicContact CG2-CG2 4.09Å; I221-F282 HydrophobicContact CD1-CB 3.78Å; I221-F282 HydrophobicContact CD1-CD2 3.92Å; I221-F282 HydrophobicContact CD1-CG 3.85Å; I221-F282 HydrophobicContact CG1-CB 4.06Å; I221-F282 HydrophobicContact CG1-CG 4.48Å; I221-F282 HydrophobicContact CG2-CD1 4.28Å; I221-V283 PolarHBondContact N-O 2.91Å; I221-L284 HydrophobicContact CD1-CD2 3.79Å; I221-L284 HydrophobicContact CD1-CG 4.39Å; I221-L284 HydrophobicContact CG1-CD2 3.41Å; I221-L284 VanDerWaalsContact CG1-CD2 3.41Å; I221-L284 HydrophobicContact CG1-CG 4.05Å; I221-L284 WeakPolarHBondContact O-CA 3.36Å; I221-N285 PolarHBondContact O-N 3.48Å; I221-N285 VanDerWaalsContact O-N 3.13Å
222	S	97.2	Very high	94.3	Very high	7 Å²	7	32 Å²	32	5%	0.049	19%	0.19	C	C	.	.			trans	-90.9	150.5	174.3	176.6	0	0	0	0	110.9	I224 D286	S222-I224 WeakPolarHBondContact CB-O 3.41Å; S222-I224 PolarHBondContact O-N 3.19Å; S222-I224 WeakPolarHBondContact OG-CB 3.47Å; S222-I224 PolarHBondContact OG-N 3.38Å; S222-I224 PolarHBondContact OG-O 2.73Å; S222-D286 VanDerWaalsContact CA-OD1 3.28Å; S222-D286 WeakPolarHBondContact CA-OD1 3.46Å; S222-D286 WeakPolarHBondContact CB-OD1 3.38Å; S222-D286 PolarHBondContact OG-OD1 3.4Å
223	R	97.8	Very high	94.3	Very high	20 Å²	20	32 Å²	32	8%	0.075	19%	0.191	C	C	.	.	S	Bend	trans	-57.6	-34.7	162.4	-66.4	-179.7	-175.1	83	2.5	111.1	S60 Y81 F225 W231 D286	S60-R223 PolarHBondContact O-NE 3.48Å; Y81-R223 HydrophobicContact CD1-CG 4.13Å; Y81-R223 HydrophobicContact CD2-CB 3.98Å; Y81-R223 HydrophobicContact CD2-CG 4.36Å; Y81-R223 HydrophobicContact CE1-CB 4.15Å; Y81-R223 HydrophobicContact CE1-CG 3.93Å; Y81-R223 HydrophobicContact CE2-CB 3.57Å; Y81-R223 HydrophobicContact CE2-CG 4.2Å; Y81-R223 HydrophobicContact CG-CB 4.45Å; Y81-R223 HydrophobicContact CG-CG 4.33Å; Y81-R223 PolarHBondContact OH-O 3.28Å; R223-F225 PolarHBondContact O-N 3.14Å; R223-W231 PolarHBondContact O-N 3.22Å; R223-D286 WeakPolarHBondContact CB-OD1 3.45Å; R223-D286 VanDerWaalsContact CD-OD2 3.31Å; R223-D286 WeakPolarHBondContact CD-OD2 3.48Å; R223-D286 IonicContact CZ-OD2 3.3Å; R223-D286 PolarHBondContact N-OD1 3.46Å; R223-D286 IonicContact NE-OD2 3.43Å; R223-D286 IonicContact NH1-OD2 2.91Å; R223-D286 PolarHBondContact NH1-OD2 2.96Å
224	I	95.3	Very high	94.2	Very high	117 Å²	117	33.5 Å²	33.5	60%	0.6	20%	0.199	S	C	*	.	B	Isolated β-bridge	trans	-79.8	100.9	170.8	-51.5	174.7	0	0	0	107.5	S222	S222-I224 WeakPolarHBondContact CB-O 3.41Å; S222-I224 PolarHBondContact O-N 3.19Å; S222-I224 WeakPolarHBondContact OG-CB 3.47Å; S222-I224 PolarHBondContact OG-N 3.38Å; S222-I224 PolarHBondContact OG-O 2.73Å
225	F	92.9	Very high	94.2	Very high	40 Å²	40	33.9 Å²	33.9	18%	0.175	20%	0.2	C	C	.	.			trans	-106.3	-147.5	-176.6	-151.5	-118.9	0	0	0	110.8	R223 S227 G228 Y229 W231 V234 K259	R223-F225 PolarHBondContact O-N 3.14Å; F225-S227 PolarHBondContact O-N 2.87Å; F225-G228 PolarHBondContact O-N 2.93Å; F225-G228 VanDerWaalsContact O-N 3.07Å; F225-Y229 WeakPolarHBondContact CB-O 3.37Å; F225-Y229 PolarHBondContact N-O 2.8Å; F225-W231 VanDerWaalsContact CB-CA 3.47Å; F225-W231 HydrophobicContact CB-CB 3.7Å; F225-W231 HydrophobicContact CD1-CB 4.35Å; F225-W231 HydrophobicContact CD2-CB 3.94Å; F225-W231 HydrophobicContact CG-CB 3.76Å; F225-V234 HydrophobicContact CD1-CB 4.24Å; F225-V234 HydrophobicContact CD1-CG1 4.33Å; F225-K259 HydrophobicContact CZ-CD 4.37Å
226	D	89.5	Confident	94.6	Very high	65 Å²	65	29 Å²	29	35%	0.348	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-50.5	124.2	-179.9	-61.6	-24.4	0	0	0	111.6	G228 Y229 V234 K259	D226-G228 PolarHBondContact O-N 3.31Å; D226-G228 VanDerWaalsContact O-N 3.11Å; D226-Y229 WeakPolarHBondContact O-CB 3.37Å; D226-Y229 PolarHBondContact O-N 3.15Å; D226-V234 HydrophobicContact CB-CG1 4.44Å; D226-K259 WeakPolarHBondContact OD1-CE 3.45Å; D226-K259 IonicContact OD1-NZ 3.84Å; D226-K259 WeakPolarHBondContact OD2-CE 3.41Å; D226-K259 IonicContact OD2-NZ 3.06Å; D226-K259 PolarHBondContact OD2-NZ 2.91Å
227	S	91.8	Very high	95.1	Very high	110 Å²	110	29.2 Å²	29.2	77%	0.769	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	56.9	21.7	179	-48.3	0	0	0	0	115.3	F225 Y229	F225-S227 PolarHBondContact O-N 2.87Å; S227-Y229 VanDerWaalsContact C-N 3.29Å
228	G	92.1	Very high	95.3	Very high	49 Å²	49	29.3 Å²	29.3	51%	0.505	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	78.5	11.9	-176.9	0	0	0	0	0	114.2	F225 D226	F225-G228 PolarHBondContact O-N 2.93Å; F225-G228 VanDerWaalsContact O-N 3.07Å; D226-G228 PolarHBondContact O-N 3.31Å; D226-G228 VanDerWaalsContact O-N 3.11Å
229	Y	96.6	Very high	95.5	Very high	85 Å²	85	32.2 Å²	32.2	33%	0.333	18%	0.178	S	C	.	.			trans	-78.7	152.1	174.3	-58.7	-22.1	0	0	0	111.5	F225 D226 S227 W231 V234 W492 F496	F225-Y229 WeakPolarHBondContact CB-O 3.37Å; F225-Y229 PolarHBondContact N-O 2.8Å; D226-Y229 WeakPolarHBondContact O-CB 3.37Å; D226-Y229 PolarHBondContact O-N 3.15Å; S227-Y229 VanDerWaalsContact C-N 3.29Å; Y229-W231 PolarHBondContact O-N 3.29Å; Y229-V234 HydrophobicContact CD2-CG2 4.04Å; Y229-V234 HydrophobicContact CG-CG2 4.4Å; Y229-W492 HydrophobicContact CD1-CZ3 4.19Å; Y229-W492 HydrophobicContact CD2-CH2 4.19Å; Y229-W492 HydrophobicContact CD2-CZ3 4.38Å; Y229-W492 HydrophobicContact CG-CH2 4.18Å; Y229-W492 HydrophobicContact CG-CZ3 4.02Å; Y229-F496 AromaticContact CD1-CE1 3.72Å; Y229-F496 HydrophobicContact CD1-CE1 3.72Å; Y229-F496 AromaticContact CD1-CZ 3.79Å; Y229-F496 HydrophobicContact CD1-CZ 3.79Å; Y229-F496 AromaticContact CE1-CE1 3.46Å; Y229-F496 HydrophobicContact CE1-CE1 3.46Å; Y229-F496 VanDerWaalsContact CE1-CE1 3.46Å; Y229-F496 AromaticContact CE1-CZ 3.28Å; Y229-F496 HydrophobicContact CE1-CZ 3.28Å; Y229-F496 AromaticContact CZ-CZ 3.97Å
230	P	98.2	Very high	95.4	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.026	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-57	132	171.3	-24.2	35	0	0	0	111.5	C63 N80 Y81 D232 M233 V234 T495	C63-P230 HydrophobicContact CB-CB 3.64Å; C63-P230 HydrophobicContact CB-CG 4.25Å; N80-P230 HydrophobicContact CB-CG 4.21Å; Y81-P230 HydrophobicContact CE2-CB 3.98Å; Y81-P230 HydrophobicContact CE2-CG 4.4Å; Y81-P230 VanDerWaalsContact OH-CA 3.26Å; Y81-P230 WeakPolarHBondContact OH-CA 3.47Å; Y81-P230 VanDerWaalsContact OH-CB 3.28Å; Y81-P230 WeakPolarHBondContact OH-CB 3.34Å; P230-D232 VanDerWaalsContact C-N 3.28Å; P230-D232 PolarHBondContact O-N 2.83Å; P230-M233 HydrophobicContact CB-CB 4.34Å; P230-M233 HydrophobicContact CB-CG 4.08Å; P230-M233 HydrophobicContact CB-SD 4.21Å; P230-M233 HydrophobicContact CG-CG 4.38Å; P230-M233 HydrophobicContact CG-SD 3.85Å; P230-M233 PolarHBondContact O-N 3.09Å; P230-M233 VanDerWaalsContact O-N 3.15Å; P230-V234 PolarHBondContact O-N 3.22Å; P230-T495 HydrophobicContact CG-CG2 4.08Å
231	W	96.8	Very high	95.3	Very high	10 Å²	10	36.1 Å²	36.1	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-55.9	-40.7	-171.6	79	-89.8	0	0	0	113.3	N61 Y81 I221 R223 F225 Y229 V234 F235 M236 L284	N61-W231 PolarHBondContact O-NE1 2.94Å; Y81-W231 VanDerWaalsContact OH-CD1 3.23Å; Y81-W231 PolarHBondContact OH-N 2.95Å; Y81-W231 VanDerWaalsContact OH-N 3.14Å; I221-W231 HydrophobicContact CD1-CD2 4.1Å; I221-W231 HydrophobicContact CD1-CE3 4.01Å; I221-W231 HydrophobicContact CD1-CG 4.41Å; R223-W231 PolarHBondContact O-N 3.22Å; F225-W231 VanDerWaalsContact CB-CA 3.47Å; F225-W231 HydrophobicContact CB-CB 3.7Å; F225-W231 HydrophobicContact CD1-CB 4.35Å; F225-W231 HydrophobicContact CD2-CB 3.94Å; F225-W231 HydrophobicContact CG-CB 3.76Å; Y229-W231 PolarHBondContact O-N 3.29Å; W231-V234 PolarHBondContact O-N 3.1Å; W231-F235 HydrophobicContact CE3-CB 3.83Å; W231-F235 HydrophobicContact CE3-CD1 4.37Å; W231-F235 HydrophobicContact CE3-CG 4.16Å; W231-F235 HydrophobicContact CZ3-CB 4.07Å; W231-F235 AromaticContact CZ3-CD1 3.78Å; W231-F235 HydrophobicContact CZ3-CD1 3.78Å; W231-F235 HydrophobicContact CZ3-CG 4.03Å; W231-F235 WeakPolarHBondContact O-CB 3.49Å; W231-F235 PolarHBondContact O-N 2.82Å; W231-M236 HydrophobicContact CH2-SD 4.35Å; W231-L284 HydrophobicContact CD2-CD2 4.25Å; W231-L284 HydrophobicContact CG-CD2 4.03Å; W231-L284 HydrophobicContact CZ2-CD1 3.73Å
232	D	97.1	Very high	95.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-75.3	-31.5	-177.1	50.2	-9	0	0	0	112.4	S62 C63 M66 P230 V234 M236	S62-D232 WeakPolarHBondContact CA-OD2 3.42Å; S62-D232 WeakPolarHBondContact CB-OD2 3.47Å; C63-D232 WeakPolarHBondContact CB-OD1 3.4Å; C63-D232 PolarHBondContact N-OD2 3.03Å; M66-D232 WeakPolarHBondContact CB-OD2 3.45Å; M66-D232 HydrophobicContact CG-CB 4.47Å; P230-D232 VanDerWaalsContact C-N 3.28Å; P230-D232 PolarHBondContact O-N 2.83Å; D232-V234 PolarHBondContact O-N 2.81Å; D232-M236 HydrophobicContact CB-CG 4.17Å; D232-M236 HydrophobicContact CB-SD 3.86Å; D232-M236 WeakPolarHBondContact O-CA 3.19Å; D232-M236 WeakPolarHBondContact O-CB 3.18Å; D232-M236 PolarHBondContact O-N 3.11Å
233	M	98	Very high	94.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-27.2	171.6	-68.4	-173.6	78.1	0	0	112.6	C63 E65 M66 P230 P467 Q491 W492 T495	C63-M233 HydrophobicContact CB-CG 4.25Å; C63-M233 PolarHBondContact SG-SD 3.48Å; E65-M233 HydrophobicContact CB-CE 4.4Å; M66-M233 HydrophobicContact CG-CG 3.52Å; M66-M233 HydrophobicContact SD-CG 3.99Å; P230-M233 HydrophobicContact CB-CB 4.34Å; P230-M233 HydrophobicContact CB-CG 4.08Å; P230-M233 HydrophobicContact CB-SD 4.21Å; P230-M233 HydrophobicContact CG-CG 4.38Å; P230-M233 HydrophobicContact CG-SD 3.85Å; P230-M233 PolarHBondContact O-N 3.09Å; P230-M233 VanDerWaalsContact O-N 3.15Å; M233-P467 HydrophobicContact CB-CB 4.04Å; M233-P467 HydrophobicContact CE-CB 4.32Å; M233-P467 HydrophobicContact CE-CG 3.85Å; M233-P467 HydrophobicContact CG-CB 4.29Å; M233-P467 WeakPolarHBondContact O-CB 3.28Å; M233-Q491 HydrophobicContact CE-CG 4.39Å; M233-W492 HydrophobicContact CB-CH2 3.77Å; M233-W492 HydrophobicContact CB-CZ2 4.27Å; M233-W492 HydrophobicContact CB-CZ3 4.47Å; M233-W492 HydrophobicContact CE-CD2 3.89Å; M233-W492 HydrophobicContact CE-CE3 3.8Å; M233-W492 HydrophobicContact CE-CH2 3.8Å; M233-W492 HydrophobicContact CE-CZ2 3.88Å; M233-W492 HydrophobicContact CE-CZ3 3.76Å; M233-W492 HydrophobicContact SD-CE3 4.47Å; M233-W492 HydrophobicContact SD-CH2 4.17Å; M233-W492 HydrophobicContact SD-CZ3 4Å; M233-T495 HydrophobicContact SD-CG2 3.93Å; M233-T495 PolarHBondContact SD-OG1 3.29Å
234	V	96	Very high	94.6	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-93.6	-41.8	177.8	-179	0	0	0	0	111.7	F225 D226 Y229 P230 W231 D232	F225-V234 HydrophobicContact CD1-CB 4.24Å; F225-V234 HydrophobicContact CD1-CG1 4.33Å; D226-V234 HydrophobicContact CB-CG1 4.44Å; Y229-V234 HydrophobicContact CD2-CG2 4.04Å; Y229-V234 HydrophobicContact CG-CG2 4.4Å; P230-V234 PolarHBondContact O-N 3.22Å; W231-V234 PolarHBondContact O-N 3.1Å; D232-V234 PolarHBondContact O-N 2.81Å
235	F	94.3	Very high	94.4	Very high	25 Å²	25	40 Å²	40	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-77.7	-37.1	-174.8	-174	-90.8	0	0	0	112.1	W231 T237 R244 F282 L375 L422	W231-F235 HydrophobicContact CE3-CB 3.83Å; W231-F235 HydrophobicContact CE3-CD1 4.37Å; W231-F235 HydrophobicContact CE3-CG 4.16Å; W231-F235 HydrophobicContact CZ3-CB 4.07Å; W231-F235 AromaticContact CZ3-CD1 3.78Å; W231-F235 HydrophobicContact CZ3-CD1 3.78Å; W231-F235 HydrophobicContact CZ3-CG 4.03Å; W231-F235 WeakPolarHBondContact O-CB 3.49Å; W231-F235 PolarHBondContact O-N 2.82Å; F235-T237 PolarHBondContact O-N 3.23Å; F235-R244 PolarHBondContact O-NH1 2.75Å; F235-R244 PolarHBondContact O-NH2 2.61Å; F235-F282 HydrophobicContact CZ-CE2 4.26Å; F235-L375 HydrophobicContact CE1-CD2 3.73Å; F235-L375 HydrophobicContact CE1-CG 4.44Å; F235-L375 HydrophobicContact CZ-CD2 4.32Å; F235-L422 HydrophobicContact CZ-CD1 4.36Å
236	M	95.3	Very high	94.2	Very high	8 Å²	8	42 Å²	42	4%	0.039	23%	0.234	C	C	.	.	S	Bend	trans	-100	62.1	-173.6	-52.3	-175.3	62.7	0	0	111.5	M66 W231 D232 L375 Y432 C468	M66-M236 HydrophobicContact CE-CB 4.09Å; W231-M236 HydrophobicContact CH2-SD 4.35Å; D232-M236 HydrophobicContact CB-CG 4.17Å; D232-M236 HydrophobicContact CB-SD 3.86Å; D232-M236 WeakPolarHBondContact O-CA 3.19Å; D232-M236 WeakPolarHBondContact O-CB 3.18Å; D232-M236 PolarHBondContact O-N 3.11Å; M236-L375 WeakPolarHBondContact CE-O 3.48Å; M236-Y432 VanDerWaalsContact CE-CB 3.48Å; M236-Y432 HydrophobicContact CE-CD1 3.12Å; M236-Y432 HydrophobicContact CE-CD2 4.29Å; M236-Y432 HydrophobicContact CE-CE1 3.84Å; M236-Y432 HydrophobicContact CE-CG 3.38Å; M236-C468 WeakPolarHBondContact O-CB 3.46Å; M236-C468 PolarHBondContact O-N 2.79Å
237	T	96.7	Very high	94.3	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-103.6	154.1	168.6	78.3	0	0	0	0	110.3	F235 F239 Q240 N241 G466	F235-T237 PolarHBondContact O-N 3.23Å; T237-F239 VanDerWaalsContact C-N 3.32Å; T237-F239 PolarHBondContact O-N 3.13Å; T237-Q240 PolarHBondContact O-N 3.12Å; T237-Q240 VanDerWaalsContact OG1-CB 3.3Å; T237-Q240 WeakPolarHBondContact OG1-CB 3.29Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.36Å; T237-Q240 PolarHBondContact OG1-N 3.13Å; T237-N241 WeakPolarHBondContact O-CB 3.41Å; T237-N241 PolarHBondContact O-N 3.17Å; T237-G466 WeakPolarHBondContact CB-O 3.29Å; T237-G466 VanDerWaalsContact CG2-O 3.31Å; T237-G466 WeakPolarHBondContact CG2-O 3.39Å
238	R	96.8	Very high	94.2	Very high	15 Å²	15	38 Å²	38	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-42.2	178.4	-66.4	-177.3	169.9	-83.7	-5.1	111.3	N241 M242 I433 D437 V463 F464	R238-N241 PolarHBondContact O-N 2.83Å; R238-M242 WeakPolarHBondContact O-CB 3.49Å; R238-M242 PolarHBondContact O-N 3.28Å; R238-I433 HydrophobicContact CG-CG2 4.44Å; R238-D437 IonicContact CZ-OD1 3.59Å; R238-D437 IonicContact CZ-OD2 3.65Å; R238-D437 IonicContact NH1-OD1 3.92Å; R238-D437 PolarHBondContact NH1-OD1 2.87Å; R238-D437 IonicContact NH1-OD2 3.5Å; R238-D437 PolarHBondContact NH1-OD2 2.83Å; R238-D437 IonicContact NH2-OD1 2.81Å; R238-D437 PolarHBondContact NH2-OD1 2.86Å; R238-V463 WeakPolarHBondContact CD-O 3.48Å; R238-F464 HydrophobicContact CB-CD2 3.97Å; R238-F464 HydrophobicContact CB-CE2 4.45Å; R238-F464 PolarHBondContact N-O 3.08Å
239	F	95.4	Very high	94.1	Very high	65 Å²	65	36.4 Å²	36.4	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-59.2	-50.7	176.2	172.8	-108.9	0	0	0	112.4	T237 N241 M242 L243 F464 F465	T237-F239 VanDerWaalsContact C-N 3.32Å; T237-F239 PolarHBondContact O-N 3.13Å; F239-N241 VanDerWaalsContact C-N 3.28Å; F239-N241 PolarHBondContact O-N 3.36Å; F239-M242 HydrophobicContact CD2-CE 4.09Å; F239-M242 HydrophobicContact CE2-CE 4.31Å; F239-M242 PolarHBondContact O-N 3.18Å; F239-L243 WeakPolarHBondContact O-CB 3.4Å; F239-L243 PolarHBondContact O-N 3.48Å; F239-F464 HydrophobicContact CB-CD1 4.19Å; F239-F464 HydrophobicContact CB-CE1 3.9Å; F239-F464 HydrophobicContact CB-CZ 4.11Å; F239-F464 WeakPolarHBondContact CB-O 3.06Å; F239-F464 AromaticContact CD2-CE1 3.7Å; F239-F464 HydrophobicContact CD2-CE1 3.7Å; F239-F464 AromaticContact CD2-CZ 3.96Å; F239-F464 HydrophobicContact CD2-CZ 3.96Å; F239-F464 HydrophobicContact CG-CE1 4.23Å; F239-F464 PolarHBondContact N-O 2.65Å; F239-F465 HydrophobicContact CB-CD1 3.79Å; F239-F465 HydrophobicContact CB-CE1 4.17Å; F239-F465 HydrophobicContact CD1-CD1 4.07Å; F239-F465 HydrophobicContact CD1-CE1 4.25Å; F239-F465 HydrophobicContact CD2-CD1 4.13Å; F239-F465 AromaticContact CD2-CE1 3.66Å; F239-F465 HydrophobicContact CD2-CE1 3.66Å; F239-F465 HydrophobicContact CE2-CE1 4.09Å; F239-F465 AromaticContact CG-CD1 3.72Å; F239-F465 HydrophobicContact CG-CD1 3.72Å; F239-F465 AromaticContact CG-CE1 3.75Å; F239-F465 HydrophobicContact CG-CE1 3.75Å
240	Q	93.1	Very high	93.7	Very high	75 Å²	75	36.8 Å²	36.8	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-37.1	179.7	-69.6	-69.1	-12.8	0	0	111.2	T237 L243 R244	T237-Q240 PolarHBondContact O-N 3.12Å; T237-Q240 VanDerWaalsContact OG1-CB 3.3Å; T237-Q240 WeakPolarHBondContact OG1-CB 3.29Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.36Å; T237-Q240 PolarHBondContact OG1-N 3.13Å; Q240-L243 PolarHBondContact O-N 3.12Å; Q240-R244 WeakPolarHBondContact O-CB 3.24Å; Q240-R244 VanDerWaalsContact O-CG 3.28Å; Q240-R244 WeakPolarHBondContact O-CG 3.29Å; Q240-R244 PolarHBondContact O-N 3.31Å
241	N	93.3	Very high	93.4	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-42.9	177.5	-152.4	67.3	0	0	0	112.9	T237 R238 F239 R244 N245 D431 I433	T237-N241 WeakPolarHBondContact O-CB 3.41Å; T237-N241 PolarHBondContact O-N 3.17Å; R238-N241 PolarHBondContact O-N 2.83Å; F239-N241 VanDerWaalsContact C-N 3.28Å; F239-N241 PolarHBondContact O-N 3.36Å; N241-R244 PolarHBondContact O-N 2.88Å; N241-R244 PolarHBondContact OD1-NH2 2.82Å; N241-N245 PolarHBondContact ND2-ND2 2.72Å; N241-N245 VanDerWaalsContact ND2-ND2 3.17Å; N241-N245 WeakPolarHBondContact O-CB 3.48Å; N241-N245 VanDerWaalsContact O-CG 3.31Å; N241-N245 PolarHBondContact O-N 3.31Å; N241-N245 PolarHBondContact O-ND2 2.64Å; N241-D431 PolarHBondContact ND2-OD1 3.36Å; N241-D431 PolarHBondContact OD1-OD2 3.48Å; N241-I433 HydrophobicContact CB-CD1 3.77Å
242	M	94	Very high	93	Very high	91 Å²	91	40.3 Å²	40.3	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-57.6	-50.4	172.3	-178.5	-166.2	76.4	0	0	110.2	R238 F239 R244 N245 S246 F464	R238-M242 WeakPolarHBondContact O-CB 3.49Å; R238-M242 PolarHBondContact O-N 3.28Å; F239-M242 HydrophobicContact CD2-CE 4.09Å; F239-M242 HydrophobicContact CE2-CE 4.31Å; F239-M242 PolarHBondContact O-N 3.18Å; M242-R244 PolarHBondContact O-N 3Å; M242-N245 PolarHBondContact O-N 3.02Å; M242-S246 WeakPolarHBondContact O-CB 2.93Å; M242-S246 PolarHBondContact O-N 3.47Å; M242-S246 PolarHBondContact O-OG 2.88Å; M242-S246 VanDerWaalsContact O-OG 3.05Å; M242-F464 HydrophobicContact CE-CZ 3.97Å; M242-F464 HydrophobicContact SD-CE2 4.26Å; M242-F464 HydrophobicContact SD-CZ 3.9Å
243	L	91.8	Very high	92.6	Very high	71 Å²	71	40.8 Å²	40.8	37%	0.372	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-48.3	179	-178.2	63.5	0	0	0	111.7	F239 Q240 N245 S246 L247	F239-L243 WeakPolarHBondContact O-CB 3.4Å; F239-L243 PolarHBondContact O-N 3.48Å; Q240-L243 PolarHBondContact O-N 3.12Å; L243-N245 PolarHBondContact O-N 2.71Å; L243-S246 PolarHBondContact O-N 3.48Å; L243-L247 HydrophobicContact CD1-CD1 4Å; L243-L247 HydrophobicContact CD1-CG 4.36Å; L243-L247 HydrophobicContact CG-CD1 4.02Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.96Å
244	R	91.9	Very high	92.2	Very high	22 Å²	22	47.7 Å²	47.7	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-47.4	178.1	-73.6	-172.9	-61.6	-101.8	2.3	111.8	F235 Q240 N241 M242 S246 L247 V252 G421	F235-R244 PolarHBondContact O-NH1 2.75Å; F235-R244 PolarHBondContact O-NH2 2.61Å; Q240-R244 WeakPolarHBondContact O-CB 3.24Å; Q240-R244 VanDerWaalsContact O-CG 3.28Å; Q240-R244 WeakPolarHBondContact O-CG 3.29Å; Q240-R244 PolarHBondContact O-N 3.31Å; N241-R244 PolarHBondContact O-N 2.88Å; N241-R244 PolarHBondContact OD1-NH2 2.82Å; M242-R244 PolarHBondContact O-N 3Å; R244-S246 VanDerWaalsContact C-N 3.31Å; R244-S246 PolarHBondContact O-N 2.81Å; R244-L247 PolarHBondContact O-N 2.56Å; R244-V252 HydrophobicContact CB-CG2 3.88Å; R244-V252 HydrophobicContact CG-CG2 3.7Å; R244-G421 WeakPolarHBondContact O-CA 3.14Å
245	N	89.9	Confident	91.9	Very high	48 Å²	48	49.9 Å²	49.9	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-75.7	-18.6	-174.9	-68	-16.2	0	0	0	113.4	N241 M242 L243	N241-N245 PolarHBondContact ND2-ND2 2.72Å; N241-N245 VanDerWaalsContact ND2-ND2 3.17Å; N241-N245 WeakPolarHBondContact O-CB 3.48Å; N241-N245 VanDerWaalsContact O-CG 3.31Å; N241-N245 PolarHBondContact O-N 3.31Å; N241-N245 PolarHBondContact O-ND2 2.64Å; M242-N245 PolarHBondContact O-N 3.02Å; L243-N245 PolarHBondContact O-N 2.71Å
246	S	90.3	Very high	91.6	Very high	81 Å²	81	49.6 Å²	49.6	57%	0.566	26%	0.257	S	S	*	.	H	α-helix	trans	-89.4	-8.2	172.8	-60.9	0	0	0	0	113.9	M242 L243 R244	M242-S246 WeakPolarHBondContact O-CB 2.93Å; M242-S246 PolarHBondContact O-N 3.47Å; M242-S246 PolarHBondContact O-OG 2.88Å; M242-S246 VanDerWaalsContact O-OG 3.05Å; L243-S246 PolarHBondContact O-N 3.48Å; R244-S246 VanDerWaalsContact C-N 3.31Å; R244-S246 PolarHBondContact O-N 2.81Å
247	L	90	Very high	91.3	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.246	26%	0.263	C	S	.	.	S	Bend	trans	-97.2	147.1	178.8	-73.2	171.9	0	0	0	112	L243 R244 V252 L255 F420 G421	L243-L247 HydrophobicContact CD1-CD1 4Å; L243-L247 HydrophobicContact CD1-CG 4.36Å; L243-L247 HydrophobicContact CG-CD1 4.02Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.96Å; R244-L247 PolarHBondContact O-N 2.56Å; L247-V252 HydrophobicContact CB-CB 4.38Å; L247-L255 HydrophobicContact CD1-CD1 4.28Å; L247-F420 WeakPolarHBondContact O-CA 3.45Å; L247-G421 PolarHBondContact O-N 3.08Å
248	P	91.3	Very high	91.1	Very high	46 Å²	46	57 Å²	57	30%	0.299	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-56.9	138.9	172.1	-25.4	33.7	0	0	0	112.7	P250 I251 V252 W419 F420	P248-P250 VanDerWaalsContact C-CD 3.47Å; P248-I251 HydrophobicContact CB-CD1 4.27Å; P248-I251 HydrophobicContact CB-CG1 4.38Å; P248-I251 HydrophobicContact CG-CD1 4.02Å; P248-I251 PolarHBondContact O-N 3.21Å; P248-V252 PolarHBondContact O-N 3.42Å; P248-V252 VanDerWaalsContact O-N 3.15Å; P248-W419 WeakPolarHBondContact CA-O 3.33Å; P248-F420 HydrophobicContact CG-CD1 4.36Å; P248-F420 HydrophobicContact CG-CE1 3.96Å
249	T	89.1	Confident	90.8	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-49.3	-44.6	-176.1	-55.1	0	0	0	0	113.8	I251 V252 T253 S418 W419 F420 G421 C423	T249-I251 VanDerWaalsContact C-N 3.34Å; T249-I251 PolarHBondContact O-N 3.19Å; T249-V252 VanDerWaalsContact O-CG1 3.27Å; T249-V252 WeakPolarHBondContact O-CG1 3.31Å; T249-T253 VanDerWaalsContact O-CB 3.25Å; T249-T253 WeakPolarHBondContact O-CB 3.41Å; T249-T253 PolarHBondContact O-N 3.28Å; T249-T253 PolarHBondContact O-OG1 3.35Å; T249-S418 PolarHBondContact OG1-O 3.05Å; T249-W419 PolarHBondContact N-O 3.12Å; T249-W419 PolarHBondContact OG1-O 2.92Å; T249-F420 PolarHBondContact OG1-N 2.77Å; T249-G421 WeakPolarHBondContact CA-O 3.46Å; T249-G421 PolarHBondContact OG1-O 2.72Å; T249-G421 VanDerWaalsContact OG1-O 3.08Å; T249-C423 HydrophobicContact CG2-CB 4.06Å
250	P	89.3	Confident	90.6	Very high	92 Å²	92	57.6 Å²	57.6	60%	0.597	29%	0.29	S	S	*	.	H	α-helix	trans	-63.3	-36.8	178.5	-24.2	35.9	0	0	0	113.7	P248 W254	P248-P250 VanDerWaalsContact C-CD 3.47Å; P250-W254 VanDerWaalsContact O-CB 3.29Å; P250-W254 WeakPolarHBondContact O-CB 3.31Å; P250-W254 PolarHBondContact O-N 3.49Å
251	I	90.2	Very high	90.5	Very high	83 Å²	83	56 Å²	56	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-71.5	-49.4	-178	-61.4	179.3	0	0	0	110	P248 T249 T253 W254 L255	P248-I251 HydrophobicContact CB-CD1 4.27Å; P248-I251 HydrophobicContact CB-CG1 4.38Å; P248-I251 HydrophobicContact CG-CD1 4.02Å; P248-I251 PolarHBondContact O-N 3.21Å; T249-I251 VanDerWaalsContact C-N 3.34Å; T249-I251 PolarHBondContact O-N 3.19Å; I251-T253 VanDerWaalsContact C-N 3.3Å; I251-T253 PolarHBondContact O-N 2.76Å; I251-W254 PolarHBondContact O-N 2.98Å; I251-L255 HydrophobicContact CG2-CD1 4.06Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 WeakPolarHBondContact O-CG 3.31Å; I251-L255 PolarHBondContact O-N 2.72Å
252	V	90	Very high	90.4	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-64	-38.5	-179.9	63.5	0	0	0	0	111.4	R244 L247 P248 T249 L255 M256 G421 L422	R244-V252 HydrophobicContact CB-CG2 3.88Å; R244-V252 HydrophobicContact CG-CG2 3.7Å; L247-V252 HydrophobicContact CB-CB 4.38Å; P248-V252 PolarHBondContact O-N 3.42Å; P248-V252 VanDerWaalsContact O-N 3.15Å; T249-V252 VanDerWaalsContact O-CG1 3.27Å; T249-V252 WeakPolarHBondContact O-CG1 3.31Å; V252-L255 PolarHBondContact O-N 3.09Å; V252-M256 WeakPolarHBondContact O-CB 3.19Å; V252-M256 PolarHBondContact O-N 3.09Å; V252-G421 WeakPolarHBondContact CG1-O 3.36Å; V252-L422 HydrophobicContact CG1-CD2 4.05Å; V252-L422 HydrophobicContact CG2-CD2 3.88Å
253	T	88.4	Confident	90.2	Very high	10 Å²	10	62.8 Å²	62.8	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-46.4	176.1	-57.4	0	0	0	0	110.7	T249 I251 L255 M256 V257 R276	T249-T253 VanDerWaalsContact O-CB 3.25Å; T249-T253 WeakPolarHBondContact O-CB 3.41Å; T249-T253 PolarHBondContact O-N 3.28Å; T249-T253 PolarHBondContact O-OG1 3.35Å; I251-T253 VanDerWaalsContact C-N 3.3Å; I251-T253 PolarHBondContact O-N 2.76Å; T253-L255 PolarHBondContact O-N 3.23Å; T253-M256 PolarHBondContact O-N 3.1Å; T253-V257 HydrophobicContact CG2-CG2 4.29Å; T253-V257 WeakPolarHBondContact O-CB 3.46Å; T253-V257 WeakPolarHBondContact O-CG2 3.38Å; T253-V257 PolarHBondContact O-N 3.05Å; T253-R276 WeakPolarHBondContact CG2-O 3.41Å
254	W	89	Confident	90.3	Very high	147 Å²	147	59.9 Å²	59.9	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-60	-45.8	175.7	174.8	84.1	0	0	0	112.6	P250 I251 M256 V257 R258	P250-W254 VanDerWaalsContact O-CB 3.29Å; P250-W254 WeakPolarHBondContact O-CB 3.31Å; P250-W254 PolarHBondContact O-N 3.49Å; I251-W254 PolarHBondContact O-N 2.98Å; W254-M256 VanDerWaalsContact C-N 3.35Å; W254-M256 PolarHBondContact O-N 2.72Å; W254-V257 PolarHBondContact O-N 2.65Å; W254-R258 VanDerWaalsContact CH2-NH1 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.2Å; W254-R258 PolarHBondContact O-N 2.97Å
255	L	90.1	Very high	90.4	Very high	80 Å²	80	62.3 Å²	62.3	42%	0.419	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-45.5	178	-76.5	172.6	0	0	0	111.8	L247 I251 V252 T253 R258 K259	L247-L255 HydrophobicContact CD1-CD1 4.28Å; I251-L255 HydrophobicContact CG2-CD1 4.06Å; I251-L255 HydrophobicContact CG2-CG 4.45Å; I251-L255 WeakPolarHBondContact O-CB 3.47Å; I251-L255 WeakPolarHBondContact O-CG 3.31Å; I251-L255 PolarHBondContact O-N 2.72Å; V252-L255 PolarHBondContact O-N 3.09Å; T253-L255 PolarHBondContact O-N 3.23Å; L255-R258 PolarHBondContact O-N 2.75Å; L255-K259 PolarHBondContact O-N 3.39Å
256	M	88.6	Confident	90.8	Very high	18 Å²	18	60 Å²	60	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-46.1	179.5	175.3	-126.2	-67.5	0	0	111.8	V252 T253 W254 R258 K259 I260 L279 F282 L422	V252-M256 WeakPolarHBondContact O-CB 3.19Å; V252-M256 PolarHBondContact O-N 3.09Å; T253-M256 PolarHBondContact O-N 3.1Å; W254-M256 VanDerWaalsContact C-N 3.35Å; W254-M256 PolarHBondContact O-N 2.72Å; M256-R258 VanDerWaalsContact C-N 3.26Å; M256-R258 PolarHBondContact O-N 3.21Å; M256-K259 WeakPolarHBondContact O-CB 3.06Å; M256-K259 PolarHBondContact O-N 3Å; M256-K259 VanDerWaalsContact O-N 3.11Å; M256-I260 HydrophobicContact CG-CD1 3.82Å; M256-I260 HydrophobicContact CG-CG1 4.5Å; M256-I260 WeakPolarHBondContact O-CG1 3.23Å; M256-I260 PolarHBondContact O-N 3.19Å; M256-I260 HydrophobicContact SD-CD1 3.93Å; M256-L279 HydrophobicContact CE-CD1 3.48Å; M256-L279 VanDerWaalsContact CE-CD1 3.48Å; M256-L279 HydrophobicContact CE-CD2 3.28Å; M256-L279 HydrophobicContact CE-CG 3.9Å; M256-L279 HydrophobicContact SD-CD1 3.38Å; M256-L279 WeakPolarHBondContact SD-CD1 3.23Å; M256-L279 HydrophobicContact SD-CD2 4.13Å; M256-L279 HydrophobicContact SD-CG 4.36Å; M256-F282 HydrophobicContact CE-CZ 4.09Å; M256-F282 HydrophobicContact CG-CZ 4.11Å; M256-F282 HydrophobicContact SD-CE1 3.77Å; M256-F282 HydrophobicContact SD-CZ 3.51Å; M256-F282 VanDerWaalsContact SD-CZ 3.51Å; M256-L422 HydrophobicContact CE-CD1 4.15Å; M256-L422 HydrophobicContact CE-CD2 3.3Å; M256-L422 HydrophobicContact CE-CG 4.37Å
257	V	89.3	Confident	91	Very high	27 Å²	27	58.7 Å²	58.7	16%	0.164	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-41	175.8	167.8	0	0	0	0	110.9	W219 T253 W254 N261	W219-V257 HydrophobicContact CH2-CB 4.38Å; W219-V257 HydrophobicContact CH2-CG1 3.54Å; W219-V257 HydrophobicContact CH2-CG2 4.06Å; W219-V257 HydrophobicContact CZ2-CB 4.26Å; W219-V257 HydrophobicContact CZ2-CG1 3.82Å; W219-V257 HydrophobicContact CZ2-CG2 3.46Å; W219-V257 VanDerWaalsContact CZ2-CG2 3.46Å; W219-V257 HydrophobicContact CZ3-CG1 4.23Å; T253-V257 HydrophobicContact CG2-CG2 4.29Å; T253-V257 WeakPolarHBondContact O-CB 3.46Å; T253-V257 WeakPolarHBondContact O-CG2 3.38Å; T253-V257 PolarHBondContact O-N 3.05Å; W254-V257 PolarHBondContact O-N 2.65Å; V257-N261 VanDerWaalsContact CG1-ND2 3.3Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.49Å; V257-N261 WeakPolarHBondContact O-CB 3.36Å; V257-N261 PolarHBondContact O-N 3.48Å; V257-N261 PolarHBondContact O-ND2 3.22Å
258	R	91.5	Very high	91.3	Very high	145 Å²	145	62.5 Å²	62.5	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-46.8	174.6	-176.9	176.7	177	173.9	-1.7	111.4	W254 L255 M256 I260 N261 N262	W254-R258 VanDerWaalsContact CH2-NH1 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.2Å; W254-R258 PolarHBondContact O-N 2.97Å; L255-R258 PolarHBondContact O-N 2.75Å; M256-R258 VanDerWaalsContact C-N 3.26Å; M256-R258 PolarHBondContact O-N 3.21Å; R258-I260 PolarHBondContact O-N 3.06Å; R258-N261 PolarHBondContact O-N 2.83Å; R258-N262 PolarHBondContact O-N 3.25Å; R258-N262 PolarHBondContact O-OD1 3.47Å
259	K	90.2	Very high	91.5	Very high	85 Å²	85	63 Å²	63	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-47	178.2	-178.5	169.4	-177.2	164.9	0	112	F225 D226 L255 M256 N262	F225-K259 HydrophobicContact CZ-CD 4.37Å; D226-K259 WeakPolarHBondContact OD1-CE 3.45Å; D226-K259 IonicContact OD1-NZ 3.84Å; D226-K259 WeakPolarHBondContact OD2-CE 3.41Å; D226-K259 IonicContact OD2-NZ 3.06Å; D226-K259 PolarHBondContact OD2-NZ 2.91Å; L255-K259 PolarHBondContact O-N 3.39Å; M256-K259 WeakPolarHBondContact O-CB 3.06Å; M256-K259 PolarHBondContact O-N 3Å; M256-K259 VanDerWaalsContact O-N 3.11Å; K259-N262 WeakPolarHBondContact O-CB 3.24Å; K259-N262 PolarHBondContact O-N 2.85Å
260	I	90.6	Very high	91.8	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-40.2	179.8	-67	170.9	0	0	0	110.7	W219 I221 M256 R258 N262 W263 L264 H266 F282	W219-I260 HydrophobicContact CB-CD1 4.27Å; W219-I260 HydrophobicContact CE3-CG2 4.09Å; I221-I260 HydrophobicContact CG2-CD1 3.93Å; I221-I260 HydrophobicContact CG2-CG1 3.85Å; I221-I260 HydrophobicContact CG2-CG2 4.09Å; M256-I260 HydrophobicContact CG-CD1 3.82Å; M256-I260 HydrophobicContact CG-CG1 4.5Å; M256-I260 WeakPolarHBondContact O-CG1 3.23Å; M256-I260 PolarHBondContact O-N 3.19Å; M256-I260 HydrophobicContact SD-CD1 3.93Å; R258-I260 PolarHBondContact O-N 3.06Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3.34Å; I260-W263 PolarHBondContact O-N 3.08Å; I260-L264 PolarHBondContact O-N 3.21Å; I260-H266 WeakPolarHBondContact CG2-CE1 3.47Å; I260-F282 HydrophobicContact CD1-CD1 4.03Å; I260-F282 HydrophobicContact CD1-CE1 3.32Å; I260-F282 HydrophobicContact CD1-CZ 3.9Å
261	N	92.8	Very high	92.1	Very high	41 Å²	41	60 Å²	60	22%	0.219	30%	0.3	C	S	.	.	H	α-helix	trans	-72	-19.4	178.4	-77.2	-64.1	0	0	0	114.7	W219 V257 R258 W263 L264 H266	W219-N261 WeakPolarHBondContact CZ3-ND2 3.42Å; V257-N261 VanDerWaalsContact CG1-ND2 3.3Å; V257-N261 WeakPolarHBondContact CG1-ND2 3.49Å; V257-N261 WeakPolarHBondContact O-CB 3.36Å; V257-N261 PolarHBondContact O-N 3.48Å; V257-N261 PolarHBondContact O-ND2 3.22Å; R258-N261 PolarHBondContact O-N 2.83Å; N261-W263 PolarHBondContact O-N 3.09Å; N261-L264 VanDerWaalsContact CA-O 3.29Å; N261-L264 WeakPolarHBondContact CA-O 3.34Å; N261-L264 CarbonylContact O-C 3.53Å; N261-L264 PolarHBondContact O-N 3.48Å; N261-L264 PolarHBondContact OD1-O 3.12Å; N261-H266 PolarHBondContact OD1-N 3.47Å; N261-H266 PolarHBondContact OD1-ND1 2.97Å
262	N	91	Very high	92.2	Very high	127 Å²	127	58.5 Å²	58.5	68%	0.679	29%	0.292	S	S	*	.	H	α-helix	trans	-64.6	-29.2	172.3	-70.4	-18.4	0	0	0	112	R258 K259 I260	R258-N262 PolarHBondContact O-N 3.25Å; R258-N262 PolarHBondContact O-OD1 3.47Å; K259-N262 WeakPolarHBondContact O-CB 3.24Å; K259-N262 PolarHBondContact O-N 2.85Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3.34Å
263	W	89.8	Confident	92.2	Very high	120 Å²	120	58.5 Å²	58.5	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-80.7	-49.6	172.7	172.3	52	0	0	0	111.5	V220 I260 N261 P289	V220-W263 HydrophobicContact CG1-CZ3 4.33Å; V220-W263 WeakPolarHBondContact O-CZ3 3.38Å; I260-W263 PolarHBondContact O-N 3.08Å; N261-W263 PolarHBondContact O-N 3.09Å; W263-P289 HydrophobicContact CH2-CG 3.75Å; W263-P289 HydrophobicContact CZ2-CG 4.01Å; W263-P289 HydrophobicContact CZ3-CG 4.44Å
264	L	92.5	Very high	92	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.047	33%	0.325	C	S	.	.			trans	-140.6	118.6	-176.2	179.4	69	0	0	0	110.4	I260 N261 H266 Y269 L271 P289	I260-L264 PolarHBondContact O-N 3.21Å; N261-L264 VanDerWaalsContact CA-O 3.29Å; N261-L264 WeakPolarHBondContact CA-O 3.34Å; N261-L264 CarbonylContact O-C 3.53Å; N261-L264 PolarHBondContact O-N 3.48Å; N261-L264 PolarHBondContact OD1-O 3.12Å; L264-H266 PolarHBondContact O-CE1 2.65Å; L264-H266 PolarHBondContact O-N 3.3Å; L264-H266 PolarHBondContact O-ND1 3.39Å; L264-Y269 HydrophobicContact CD1-CD1 3.98Å; L264-Y269 HydrophobicContact CD1-CD2 3.63Å; L264-Y269 HydrophobicContact CD1-CE1 3.81Å; L264-Y269 HydrophobicContact CD1-CE2 3.43Å; L264-Y269 VanDerWaalsContact CD1-CE2 3.43Å; L264-Y269 HydrophobicContact CD1-CG 3.91Å; L264-Y269 HydrophobicContact CG-CD2 4.33Å; L264-Y269 HydrophobicContact CG-CG 4.46Å; L264-L271 HydrophobicContact CD2-CD1 3.91Å; L264-P289 HydrophobicContact CD1-CB 3.9Å; L264-P289 HydrophobicContact CD1-CG 4.45Å; L264-P289 HydrophobicContact CD2-CB 3.98Å; L264-P289 HydrophobicContact CD2-CG 3.66Å
265	N	95.9	Very high	91.5	Very high	73 Å²	73	62.8 Å²	62.8	39%	0.39	32%	0.318	S	S	.	.			trans	-70	99.6	172.3	-174.7	-30.5	0	0	0	110.3	A267 N268 Y269	N265-A267 PolarHBondContact O-N 3.03Å; N265-A267 WeakPolarHBondContact OD1-CB 3.12Å; N265-A267 PolarHBondContact OD1-N 3.18Å; N265-A267 VanDerWaalsContact OD1-N 3.13Å; N265-N268 HydrophobicContact CB-CB 4.38Å; N265-N268 PolarHBondContact O-N 2.96Å; N265-N268 PolarHBondContact OD1-N 3.19Å; N265-Y269 WeakPolarHBondContact O-CD2 3.42Å; N265-Y269 PolarHBondContact O-N 3.19Å
266	H	96.2	Very high	90.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24	-173.4	-74.3	61.5	0	0	0	113.3	W219 V220 I260 N261 L264 Y269 G270 L271 I272	W219-H266 HydrophobicContact CE3-CB 4.19Å; W219-H266 AromaticContact CE3-CD2 3.62Å; W219-H266 AromaticContact CE3-CG 3.67Å; W219-H266 AromaticContact CE3-ND1 3.99Å; W219-H266 AromaticContact CE3-NE2 3.93Å; W219-H266 HydrophobicContact CZ3-CB 3.72Å; W219-H266 AromaticContact CZ3-CG 3.65Å; V220-H266 PolarHBondContact N-NE2 3.14Å; V220-H266 PolarHBondContact O-CE1 3.14Å; V220-H266 PolarHBondContact O-NE2 2.92Å; I260-H266 WeakPolarHBondContact CG2-CE1 3.47Å; N261-H266 PolarHBondContact OD1-N 3.47Å; N261-H266 PolarHBondContact OD1-ND1 2.97Å; L264-H266 PolarHBondContact O-CE1 2.65Å; L264-H266 PolarHBondContact O-N 3.3Å; L264-H266 PolarHBondContact O-ND1 3.39Å; H266-Y269 PolarHBondContact O-N 3.45Å; H266-G270 PolarHBondContact O-N 2.85Å; H266-L271 HydrophobicContact CB-CB 4.12Å; H266-L271 PolarHBondContact O-N 3.37Å; H266-I272 HydrophobicContact CB-CB 4.48Å; H266-I272 PolarHBondContact O-N 2.85Å
267	A	95.3	Very high	89.7	Confident	53 Å²	53	69.2 Å²	69.2	44%	0.438	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-44.7	175.7	0	0	0	0	0	110.7	N265 Y269 G270 I272	N265-A267 PolarHBondContact O-N 3.03Å; N265-A267 WeakPolarHBondContact OD1-CB 3.12Å; N265-A267 PolarHBondContact OD1-N 3.18Å; N265-A267 VanDerWaalsContact OD1-N 3.13Å; A267-Y269 PolarHBondContact O-N 3.17Å; A267-G270 PolarHBondContact O-N 2.8Å; A267-G270 VanDerWaalsContact O-N 3.14Å; A267-I272 HydrophobicContact CB-CD1 4.29Å
268	N	96.4	Very high	88.8	Confident	128 Å²	128	72 Å²	72	68%	0.684	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27	179.1	-66.4	-2.9	0	0	0	112.7	N265	N265-N268 HydrophobicContact CB-CB 4.38Å; N265-N268 PolarHBondContact O-N 2.96Å; N265-N268 PolarHBondContact OD1-N 3.19Å
269	Y	96.5	Very high	87.8	Confident	56 Å²	56	65.5 Å²	65.5	22%	0.22	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	0.9	-179.1	-75.7	-111.2	0	0	0	113.1	L264 N265 H266 A267 L271 P289 I292 I293	L264-Y269 HydrophobicContact CD1-CD1 3.98Å; L264-Y269 HydrophobicContact CD1-CD2 3.63Å; L264-Y269 HydrophobicContact CD1-CE1 3.81Å; L264-Y269 HydrophobicContact CD1-CE2 3.43Å; L264-Y269 VanDerWaalsContact CD1-CE2 3.43Å; L264-Y269 HydrophobicContact CD1-CG 3.91Å; L264-Y269 HydrophobicContact CG-CD2 4.33Å; L264-Y269 HydrophobicContact CG-CG 4.46Å; N265-Y269 WeakPolarHBondContact O-CD2 3.42Å; N265-Y269 PolarHBondContact O-N 3.19Å; H266-Y269 PolarHBondContact O-N 3.45Å; A267-Y269 PolarHBondContact O-N 3.17Å; Y269-L271 VanDerWaalsContact C-N 3.27Å; Y269-L271 PolarHBondContact O-N 3.02Å; Y269-P289 HydrophobicContact CE1-CB 4.47Å; Y269-I292 HydrophobicContact CD1-CB 3.77Å; Y269-I292 HydrophobicContact CD1-CD1 3.99Å; Y269-I292 HydrophobicContact CD1-CG2 3.49Å; Y269-I292 VanDerWaalsContact CD1-CG2 3.49Å; Y269-I292 HydrophobicContact CE1-CB 4.1Å; Y269-I292 HydrophobicContact CE1-CG2 4.03Å; Y269-I292 HydrophobicContact CG-CG2 4.39Å; Y269-I293 HydrophobicContact CE1-CB 4.19Å
270	G	94.4	Very high	87.2	Confident	45 Å²	45	64.8 Å²	64.8	46%	0.464	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	22.6	-179.4	0	0	0	0	0	114.4	H266 A267 I299	H266-G270 PolarHBondContact O-N 2.85Å; A267-G270 PolarHBondContact O-N 2.8Å; A267-G270 VanDerWaalsContact O-N 3.14Å; G270-I299 WeakPolarHBondContact O-CG2 3.36Å
271	L	95.3	Very high	86.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.35	C	S	.	.			trans	-97.7	-15.2	-176.7	-64.7	170.2	0	0	0	113.1	M192 G217 G218 V220 L264 H266 Y269 L288 I292 I299	M192-L271 HydrophobicContact CE-CD2 3.99Å; M192-L271 HydrophobicContact SD-CD2 3.53Å; M192-L271 VanDerWaalsContact SD-CD2 3.53Å; G217-L271 WeakPolarHBondContact CA-O 3.22Å; G218-L271 PolarHBondContact N-O 2.8Å; G218-L271 VanDerWaalsContact O-O 3.07Å; V220-L271 HydrophobicContact CG2-CD1 3.93Å; V220-L271 HydrophobicContact CG2-CD2 4.4Å; L264-L271 HydrophobicContact CD2-CD1 3.91Å; H266-L271 HydrophobicContact CB-CB 4.12Å; H266-L271 PolarHBondContact O-N 3.37Å; Y269-L271 VanDerWaalsContact C-N 3.27Å; Y269-L271 PolarHBondContact O-N 3.02Å; L271-L288 HydrophobicContact CD2-CD2 4.3Å; L271-I292 HydrophobicContact CD1-CD1 4.11Å; L271-I292 HydrophobicContact CD2-CD1 4.35Å; L271-I292 HydrophobicContact CG-CD1 4.45Å; L271-I299 HydrophobicContact CD2-CD1 3.85Å; L271-I299 HydrophobicContact CD2-CG1 3.88Å
272	I	92.2	Very high	86.7	Confident	51 Å²	51	67.6 Å²	67.6	26%	0.262	34%	0.341	S	S	.	.			trans	-55	128.9	-172.3	-165.7	160.6	0	0	0	111.4	W219 H266 A267 R276	W219-I272 HydrophobicContact CH2-CD1 4.43Å; W219-I272 HydrophobicContact CH2-CG1 4Å; H266-I272 HydrophobicContact CB-CB 4.48Å; H266-I272 PolarHBondContact O-N 2.85Å; A267-I272 HydrophobicContact CB-CD1 4.29Å; I272-R276 VanDerWaalsContact CD1-NH2 3.3Å
273	P	89.7	Confident	86.9	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.032	31%	0.31	C	S	.	.			trans	-63.3	142.8	174	-23.6	34.3	0	0	0	112.2	G216 W219	G216-P273 VanDerWaalsContact O-CA 3.32Å; G216-P273 WeakPolarHBondContact O-CA 3.44Å; W219-P273 HydrophobicContact CD2-CG 4.07Å; W219-P273 HydrophobicContact CG-CG 4.22Å; W219-P273 HydrophobicContact CZ2-CG 4.06Å
274	E	84.4	Confident	87.3	Confident	161 Å²	161	56.4 Å²	56.4	75%	0.752	29%	0.29	S	S	*	.	S	Bend	trans	-64.9	-53.2	173.1	-66	-178.2	165.4	0	0	110.5	G216	G216-E274 PolarHBondContact O-N 2.81Å
275	E	79.6	Confident	87.5	Confident	86 Å²	86	56.3 Å²	56.3	40%	0.402	29%	0.29	S	S	.	.			trans	-86.8	112.3	172.3	-175.9	52.3	-109.8	0	0	109.8	T277 Q278	E275-T277 WeakPolarHBondContact OE1-CB 3.41Å; E275-T277 PolarHBondContact OE1-N 2.81Å; E275-T277 PolarHBondContact OE1-OG1 2.79Å; E275-Q278 HydrophobicContact CG-CB 3.95Å; E275-Q278 HydrophobicContact CG-CG 3.92Å
276	R	73.4	Confident	87.6	Confident	145 Å²	145	55.6 Å²	55.6	55%	0.547	29%	0.286	S	S	.	.			trans	-94.7	-21.7	-175.8	-61	-176	-172.6	-180	5.4	113.2	T253 I272	T253-R276 WeakPolarHBondContact CG2-O 3.41Å; I272-R276 VanDerWaalsContact CD1-NH2 3.3Å
277	T	67.6	Low	87.7	Confident	88 Å²	88	59.5 Å²	59.5	54%	0.54	30%	0.304	S	S	.	.	S	Bend	trans	-80.9	-22	-175.3	65.6	0	0	0	0	112.5	E275	E275-T277 WeakPolarHBondContact OE1-CB 3.41Å; E275-T277 PolarHBondContact OE1-N 2.81Å; E275-T277 PolarHBondContact OE1-OG1 2.79Å
278	Q	70.2	Confident	87.9	Confident	86 Å²	86	57 Å²	57	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	-103.3	119.8	178.4	-60.9	-172.8	-5.5	0	0	110.5	E275 K280 C425	E275-Q278 HydrophobicContact CG-CB 3.95Å; E275-Q278 HydrophobicContact CG-CG 3.92Å; Q278-K280 PolarHBondContact O-N 3.35Å; Q278-C425 HydrophobicContact CB-CB 4.38Å; Q278-C425 HydrophobicContact CG-CB 4.41Å; Q278-C425 WeakPolarHBondContact CG-SG 3.26Å
279	L	70.4	Confident	87.9	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	26%	0.255	C	S	.	.			trans	-83.3	111.7	-178.9	-165.8	72.4	0	0	0	110.4	M256 F282 L422 C423	M256-L279 HydrophobicContact CE-CD1 3.48Å; M256-L279 VanDerWaalsContact CE-CD1 3.48Å; M256-L279 HydrophobicContact CE-CD2 3.28Å; M256-L279 HydrophobicContact CE-CG 3.9Å; M256-L279 HydrophobicContact SD-CD1 3.38Å; M256-L279 WeakPolarHBondContact SD-CD1 3.23Å; M256-L279 HydrophobicContact SD-CD2 4.13Å; M256-L279 HydrophobicContact SD-CG 4.36Å; L279-F282 HydrophobicContact CD1-CE1 3.9Å; L279-F282 HydrophobicContact CD1-CZ 4.09Å; L279-F282 HydrophobicContact CD2-CE1 4.38Å; L279-F282 HydrophobicContact CD2-CE2 4.22Å; L279-F282 HydrophobicContact CD2-CZ 3.79Å; L279-F282 HydrophobicContact CG-CE1 4.47Å; L279-F282 HydrophobicContact CG-CZ 4.35Å; L279-L422 HydrophobicContact CD2-CD1 3.99Å; L279-L422 HydrophobicContact CD2-CD2 4.27Å; L279-C423 PolarHBondContact N-O 2.67Å
280	K	76.9	Confident	88	Confident	70 Å²	70	50.7 Å²	50.7	30%	0.304	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-75	154.8	164.5	-64.6	174.6	-172.9	170.1	0	109.3	G216 Q278 F282	G216-K280 PolarHBondContact O-NZ 2.86Å; G216-K280 VanDerWaalsContact O-NZ 3.17Å; Q278-K280 PolarHBondContact O-N 3.35Å; K280-F282 PolarHBondContact O-N 3.4Å
281	E	82.9	Confident	88.2	Confident	100 Å²	100	51.2 Å²	51.2	47%	0.467	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-50.3	136.3	171.3	-172.2	-176.4	163.1	0	0	110.4	N194	N194-E281 PolarHBondContact ND2-OE1 3.39Å
282	F	90.6	Very high	88.3	Confident	7 Å²	7	52.5 Å²	52.5	3%	0.031	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.4	141.3	178.3	-62.1	-60.8	0	0	0	111	N194 W219 I221 F235 M256 I260 L279 K280 L375	N194-F282 PolarHBondContact ND2-O 3.16Å; W219-F282 HydrophobicContact CB-CD1 3.66Å; W219-F282 HydrophobicContact CB-CE1 3.92Å; W219-F282 HydrophobicContact CG-CE1 4.42Å; I221-F282 HydrophobicContact CD1-CB 3.78Å; I221-F282 HydrophobicContact CD1-CD2 3.92Å; I221-F282 HydrophobicContact CD1-CG 3.85Å; I221-F282 HydrophobicContact CG1-CB 4.06Å; I221-F282 HydrophobicContact CG1-CG 4.48Å; I221-F282 HydrophobicContact CG2-CD1 4.28Å; F235-F282 HydrophobicContact CZ-CE2 4.26Å; M256-F282 HydrophobicContact CE-CZ 4.09Å; M256-F282 HydrophobicContact CG-CZ 4.11Å; M256-F282 HydrophobicContact SD-CE1 3.77Å; M256-F282 HydrophobicContact SD-CZ 3.51Å; M256-F282 VanDerWaalsContact SD-CZ 3.51Å; I260-F282 HydrophobicContact CD1-CD1 4.03Å; I260-F282 HydrophobicContact CD1-CE1 3.32Å; I260-F282 HydrophobicContact CD1-CZ 3.9Å; L279-F282 HydrophobicContact CD1-CE1 3.9Å; L279-F282 HydrophobicContact CD1-CZ 4.09Å; L279-F282 HydrophobicContact CD2-CE1 4.38Å; L279-F282 HydrophobicContact CD2-CE2 4.22Å; L279-F282 HydrophobicContact CD2-CZ 3.79Å; L279-F282 HydrophobicContact CG-CE1 4.47Å; L279-F282 HydrophobicContact CG-CZ 4.35Å; K280-F282 PolarHBondContact O-N 3.4Å; F282-L375 HydrophobicContact CD2-CD1 4.36Å
283	V	95.1	Very high	88.6	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119	167.2	178	0	0	0	0	107.6	M192 N194 T197 W219 V220 I221	M192-V283 HydrophobicContact CG-CG2 4.47Å; M192-V283 WeakPolarHBondContact O-CG2 3.15Å; N194-V283 WeakPolarHBondContact OD1-CA 3.42Å; T197-V283 HydrophobicContact CG2-CG1 3.74Å; T197-V283 WeakPolarHBondContact OG1-CG1 3.49Å; W219-V283 PolarHBondContact O-N 3.38Å; V220-V283 CarbonylContact C-O 3.59Å; V220-V283 VanDerWaalsContact CA-O 3.31Å; V220-V283 WeakPolarHBondContact CA-O 3.48Å; V220-V283 HydrophobicContact CG2-CB 4.12Å; V220-V283 HydrophobicContact CG2-CG1 4.32Å; I221-V283 PolarHBondContact N-O 2.91Å
284	L	97.2	Very high	89	Confident	7 Å²	7	60 Å²	60	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	96.7	-178	-82.3	161.2	0	0	0	109.9	N61 N194 I221 W231	N61-L284 HydrophobicContact CB-CB 4.12Å; N61-L284 HydrophobicContact CB-CD1 3.73Å; N61-L284 WeakPolarHBondContact O-CD1 3.11Å; N194-L284 PolarHBondContact OD1-N 2.84Å; I221-L284 HydrophobicContact CD1-CD2 3.79Å; I221-L284 HydrophobicContact CD1-CG 4.39Å; I221-L284 HydrophobicContact CG1-CD2 3.41Å; I221-L284 VanDerWaalsContact CG1-CD2 3.41Å; I221-L284 HydrophobicContact CG1-CG 4.05Å; I221-L284 WeakPolarHBondContact O-CA 3.36Å; W231-L284 HydrophobicContact CD2-CD2 4.25Å; W231-L284 HydrophobicContact CG-CD2 4.03Å; W231-L284 HydrophobicContact CZ2-CD1 3.73Å
285	N	98.1	Very high	89.6	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.043	28%	0.28	C	S	.	.			trans	-149.5	132.5	178.4	-170.8	-77.9	0	0	0	111.3	T197 D198 I221 E287 L288	T197-N285 HydrophobicContact CG2-CB 3.61Å; D198-N285 PolarHBondContact OD1-ND2 2.6Å; I221-N285 PolarHBondContact O-N 3.48Å; I221-N285 VanDerWaalsContact O-N 3.13Å; N285-E287 PolarHBondContact OD1-N 2.9Å; N285-L288 HydrophobicContact CB-CB 4.36Å; N285-L288 WeakPolarHBondContact OD1-CB 3.21Å; N285-L288 PolarHBondContact OD1-N 2.64Å
286	D	97.6	Very high	90.5	Very high	57 Å²	57	54.8 Å²	54.8	31%	0.305	28%	0.283	S	S	.	.	S	Bend	trans	-90.9	-16.9	-173	-54	-51.5	0	0	0	113	S222 R223	S222-D286 VanDerWaalsContact CA-OD1 3.28Å; S222-D286 WeakPolarHBondContact CA-OD1 3.46Å; S222-D286 WeakPolarHBondContact CB-OD1 3.38Å; S222-D286 PolarHBondContact OG-OD1 3.4Å; R223-D286 WeakPolarHBondContact CB-OD1 3.45Å; R223-D286 VanDerWaalsContact CD-OD2 3.31Å; R223-D286 WeakPolarHBondContact CD-OD2 3.48Å; R223-D286 IonicContact CZ-OD2 3.3Å; R223-D286 PolarHBondContact N-OD1 3.46Å; R223-D286 IonicContact NE-OD2 3.43Å; R223-D286 IonicContact NH1-OD2 2.91Å; R223-D286 PolarHBondContact NH1-OD2 2.96Å
287	E	98.2	Very high	91.7	Very high	82 Å²	82	48 Å²	48	38%	0.383	26%	0.257	S	S	.	.	S	Bend	trans	-108.3	-27.9	-171	-72.7	-166.2	-127.3	0	0	113.8	V201 H205 N285 P289 G290 R291	V201-E287 HydrophobicContact CG1-CB 3.59Å; V201-E287 HydrophobicContact CG1-CG 4.31Å; V201-E287 HydrophobicContact CG2-CB 4.44Å; H205-E287 IonicContact CE1-OE2 2.74Å; H205-E287 PolarHBondContact CE1-OE2 3.26Å; H205-E287 IonicContact NE2-OE2 2.81Å; N285-E287 PolarHBondContact OD1-N 2.9Å; E287-P289 VanDerWaalsContact C-CD 3.45Å; E287-P289 VanDerWaalsContact C-N 3.33Å; E287-G290 CarbonylContact O-C 3.5Å; E287-G290 WeakPolarHBondContact O-CA 3.11Å; E287-G290 PolarHBondContact O-N 3.07Å; E287-R291 HydrophobicContact CB-CG 4.4Å; E287-R291 WeakPolarHBondContact O-CG 3.17Å; E287-R291 PolarHBondContact O-N 3.1Å; E287-R291 IonicContact OE2-CZ 4Å; E287-R291 IonicContact OE2-NE 3.99Å; E287-R291 PolarHBondContact OE2-NE 2.86Å; E287-R291 IonicContact OE2-NH2 3.6Å; E287-R291 PolarHBondContact OE2-NH2 2.93Å
288	L	98.3	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-49.7	-47.3	-172.3	178	71.5	0	0	0	112.4	T197 V201 L212 V220 L271 N285 G290 R291 I292 V297	T197-L288 HydrophobicContact CG2-CB 4.01Å; T197-L288 HydrophobicContact CG2-CD1 4.23Å; T197-L288 HydrophobicContact CG2-CD2 3.72Å; T197-L288 HydrophobicContact CG2-CG 4.18Å; V201-L288 HydrophobicContact CG2-CB 3.98Å; V201-L288 HydrophobicContact CG2-CD1 4.12Å; L212-L288 HydrophobicContact CD2-CD1 4.07Å; V220-L288 HydrophobicContact CG1-CD2 4.28Å; V220-L288 HydrophobicContact CG2-CD2 3.88Å; L271-L288 HydrophobicContact CD2-CD2 4.3Å; N285-L288 HydrophobicContact CB-CB 4.36Å; N285-L288 WeakPolarHBondContact OD1-CB 3.21Å; N285-L288 PolarHBondContact OD1-N 2.64Å; L288-G290 VanDerWaalsContact C-N 3.31Å; L288-G290 PolarHBondContact O-N 3.31Å; L288-R291 PolarHBondContact O-N 3.25Å; L288-R291 VanDerWaalsContact O-N 3.12Å; L288-I292 HydrophobicContact CD1-CD1 4.04Å; L288-I292 HydrophobicContact CD1-CG1 4.17Å; L288-I292 HydrophobicContact CD2-CD1 4.27Å; L288-I292 HydrophobicContact CG-CD1 3.78Å; L288-I292 HydrophobicContact CG-CG1 4.33Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 2.65Å; L288-V297 HydrophobicContact CD1-CG1 4.11Å
289	P	97.7	Very high	94.5	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-41.9	178.6	-23.4	36.6	0	0	0	112.4	W263 L264 Y269 E287 R291 I292 I293	W263-P289 HydrophobicContact CH2-CG 3.75Å; W263-P289 HydrophobicContact CZ2-CG 4.01Å; W263-P289 HydrophobicContact CZ3-CG 4.44Å; L264-P289 HydrophobicContact CD1-CB 3.9Å; L264-P289 HydrophobicContact CD1-CG 4.45Å; L264-P289 HydrophobicContact CD2-CB 3.98Å; L264-P289 HydrophobicContact CD2-CG 3.66Å; Y269-P289 HydrophobicContact CE1-CB 4.47Å; E287-P289 VanDerWaalsContact C-CD 3.45Å; E287-P289 VanDerWaalsContact C-N 3.33Å; P289-R291 VanDerWaalsContact C-N 3.33Å; P289-R291 PolarHBondContact O-N 2.96Å; P289-I292 PolarHBondContact O-N 3.31Å; P289-I293 WeakPolarHBondContact O-CG2 3.27Å; P289-I293 PolarHBondContact O-N 2.76Å
290	G	98.2	Very high	95.7	Very high	38 Å²	38	46.5 Å²	46.5	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-38.4	174.6	0	0	0	0	0	112.7	E287 L288 I293 T294	E287-G290 CarbonylContact O-C 3.5Å; E287-G290 WeakPolarHBondContact O-CA 3.11Å; E287-G290 PolarHBondContact O-N 3.07Å; L288-G290 VanDerWaalsContact C-N 3.31Å; L288-G290 PolarHBondContact O-N 3.31Å; G290-I293 WeakPolarHBondContact O-CG2 3.45Å; G290-T294 WeakPolarHBondContact O-CB 3.45Å; G290-T294 WeakPolarHBondContact O-CG2 3.41Å; G290-T294 PolarHBondContact O-N 3.43Å; G290-T294 PolarHBondContact O-OG1 3.38Å
291	R	98.4	Very high	96.6	Very high	56 Å²	56	45.3 Å²	45.3	21%	0.211	24%	0.241	C	C	.	.	H	α-helix	trans	-70.2	-33.4	175.9	-60.6	-56.7	177.7	-179.7	-23.1	112.9	V201 S204 H205 E287 L288 P289 T294 G295 K296 V297	V201-R291 HydrophobicContact CG1-CG 4.21Å; V201-R291 HydrophobicContact CG2-CG 4.22Å; S204-R291 VanDerWaalsContact OG-CD 3.26Å; S204-R291 WeakPolarHBondContact OG-CD 3.41Å; H205-R291 VanDerWaalsContact CE1-CZ 3.44Å; H205-R291 PolarHBondContact CE1-NH2 3.05Å; H205-R291 PolarHBondContact ND1-NH2 3.41Å; H205-R291 VanDerWaalsContact ND1-NH2 3.16Å; E287-R291 HydrophobicContact CB-CG 4.4Å; E287-R291 WeakPolarHBondContact O-CG 3.17Å; E287-R291 PolarHBondContact O-N 3.1Å; E287-R291 IonicContact OE2-CZ 4Å; E287-R291 IonicContact OE2-NE 3.99Å; E287-R291 PolarHBondContact OE2-NE 2.86Å; E287-R291 IonicContact OE2-NH2 3.6Å; E287-R291 PolarHBondContact OE2-NH2 2.93Å; L288-R291 PolarHBondContact O-N 3.25Å; L288-R291 VanDerWaalsContact O-N 3.12Å; P289-R291 VanDerWaalsContact C-N 3.33Å; P289-R291 PolarHBondContact O-N 2.96Å; R291-T294 PolarHBondContact O-OG1 3.18Å; R291-G295 PolarHBondContact O-N 3.42Å; R291-K296 HydrophobicContact CB-CB 4.41Å; R291-K296 PolarHBondContact O-N 3.11Å; R291-V297 HydrophobicContact CB-CB 4.06Å; R291-V297 HydrophobicContact CB-CG2 3.76Å; R291-V297 HydrophobicContact CG-CG2 4.47Å; R291-V297 PolarHBondContact O-N 3.07Å
292	I	98.4	Very high	97.2	Very high	28 Å²	28	42.1 Å²	42.1	14%	0.144	23%	0.229	C	C	.	.	H	α-helix	trans	-70.9	-51	176.2	-64.3	163.3	0	0	0	110.6	Y269 L271 L288 P289 T294 G295 V297 I299	Y269-I292 HydrophobicContact CD1-CB 3.77Å; Y269-I292 HydrophobicContact CD1-CD1 3.99Å; Y269-I292 HydrophobicContact CD1-CG2 3.49Å; Y269-I292 VanDerWaalsContact CD1-CG2 3.49Å; Y269-I292 HydrophobicContact CE1-CB 4.1Å; Y269-I292 HydrophobicContact CE1-CG2 4.03Å; Y269-I292 HydrophobicContact CG-CG2 4.39Å; L271-I292 HydrophobicContact CD1-CD1 4.11Å; L271-I292 HydrophobicContact CD2-CD1 4.35Å; L271-I292 HydrophobicContact CG-CD1 4.45Å; L288-I292 HydrophobicContact CD1-CD1 4.04Å; L288-I292 HydrophobicContact CD1-CG1 4.17Å; L288-I292 HydrophobicContact CD2-CD1 4.27Å; L288-I292 HydrophobicContact CG-CD1 3.78Å; L288-I292 HydrophobicContact CG-CG1 4.33Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 2.65Å; P289-I292 PolarHBondContact O-N 3.31Å; I292-T294 PolarHBondContact O-N 2.88Å; I292-G295 PolarHBondContact O-N 3.28Å; I292-V297 WeakPolarHBondContact CA-O 3.09Å; I292-I299 HydrophobicContact CD1-CD1 3.89Å; I292-I299 HydrophobicContact CD1-CG1 3.78Å; I292-I299 HydrophobicContact CG1-CD1 4.24Å; I292-I299 HydrophobicContact CG1-CG1 4.17Å
293	I	97.9	Very high	97.5	Very high	121 Å²	121	42.4 Å²	42.4	62%	0.621	23%	0.231	S	C	*	.	H	α-helix	trans	-65.3	-29	-176	-166	170.9	0	0	0	112.6	Y269 P289 G290 G295	Y269-I293 HydrophobicContact CE1-CB 4.19Å; P289-I293 WeakPolarHBondContact O-CG2 3.27Å; P289-I293 PolarHBondContact O-N 2.76Å; G290-I293 WeakPolarHBondContact O-CG2 3.45Å; I293-G295 VanDerWaalsContact C-N 3.29Å
294	T	98.1	Very high	97.5	Very high	93 Å²	93	48 Å²	48	57%	0.571	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.4	175.1	56.7	0	0	0	0	113.7	G290 R291 I292 K296	G290-T294 WeakPolarHBondContact O-CB 3.45Å; G290-T294 WeakPolarHBondContact O-CG2 3.41Å; G290-T294 PolarHBondContact O-N 3.43Å; G290-T294 PolarHBondContact O-OG1 3.38Å; R291-T294 PolarHBondContact O-OG1 3.18Å; I292-T294 PolarHBondContact O-N 2.88Å; T294-K296 VanDerWaalsContact C-N 3.27Å; T294-K296 PolarHBondContact O-N 2.94Å
295	G	97.4	Very high	97.5	Very high	31 Å²	31	51.7 Å²	51.7	32%	0.32	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	24.2	179.4	0	0	0	0	0	114	R291 I292 I293 F298	R291-G295 PolarHBondContact O-N 3.42Å; I292-G295 PolarHBondContact O-N 3.28Å; I293-G295 VanDerWaalsContact C-N 3.29Å; G295-F298 WeakPolarHBondContact O-CE2 3.24Å; G295-F298 WeakPolarHBondContact O-CZ 3.35Å
296	K	98.1	Very high	97.5	Very high	106 Å²	106	51.4 Å²	51.4	46%	0.461	27%	0.271	S	S	.	.	S	Bend	trans	-87.4	-30.4	175.7	-68.3	-66	-174	177.3	0	112.4	R291 T294	R291-K296 HydrophobicContact CB-CB 4.41Å; R291-K296 PolarHBondContact O-N 3.11Å; T294-K296 VanDerWaalsContact C-N 3.27Å; T294-K296 PolarHBondContact O-N 2.94Å
297	V	98.7	Very high	97.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	172	175.4	0	0	0	0	109.3	V210 L212 L288 R291 I292 I299	V210-V297 HydrophobicContact CB-CG2 4.21Å; V210-V297 HydrophobicContact CG1-CG2 4.29Å; V210-V297 WeakPolarHBondContact O-CA 3.4Å; L212-V297 HydrophobicContact CB-CG1 3.95Å; L288-V297 HydrophobicContact CD1-CG1 4.11Å; R291-V297 HydrophobicContact CB-CB 4.06Å; R291-V297 HydrophobicContact CB-CG2 3.76Å; R291-V297 HydrophobicContact CG-CG2 4.47Å; R291-V297 PolarHBondContact O-N 3.07Å; I292-V297 WeakPolarHBondContact CA-O 3.09Å; V297-I299 HydrophobicContact CG1-CD1 4.45Å
298	F	98	Very high	97.5	Very high	69 Å²	69	52.8 Å²	52.8	30%	0.303	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.6	177.3	-62.3	-87.6	0	0	0	110.3	K209 V210 F211 L212 G295 R300	K209-F298 HydrophobicContact CD-CE2 4.46Å; K209-F298 HydrophobicContact CG-CD2 4.09Å; K209-F298 HydrophobicContact CG-CE2 3.96Å; V210-F298 PolarHBondContact O-N 3.43Å; F211-F298 CarbonylContact C-O 3.6Å; F211-F298 VanDerWaalsContact CA-O 3.3Å; F211-F298 WeakPolarHBondContact CA-O 3.29Å; F211-F298 HydrophobicContact CD1-CB 3.8Å; F211-F298 HydrophobicContact CE1-CB 4.25Å; L212-F298 PolarHBondContact N-O 3.16Å; G295-F298 WeakPolarHBondContact O-CE2 3.24Å; G295-F298 WeakPolarHBondContact O-CZ 3.35Å; F298-R300 PolarHBondContact O-N 3.07Å
299	I	97.7	Very high	97.4	Very high	27 Å²	27	57.1 Å²	57.1	14%	0.138	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133.7	172.2	-52.8	-53.8	0	0	0	109.2	L212 T214 G270 L271 I292 V297	L212-I299 HydrophobicContact CB-CD1 3.96Å; L212-I299 HydrophobicContact CD2-CD1 3.94Å; L212-I299 HydrophobicContact CG-CD1 4.22Å; L212-I299 WeakPolarHBondContact O-CA 3.5Å; T214-I299 HydrophobicContact CG2-CG2 4.18Å; G270-I299 WeakPolarHBondContact O-CG2 3.36Å; L271-I299 HydrophobicContact CD2-CD1 3.85Å; L271-I299 HydrophobicContact CD2-CG1 3.88Å; I292-I299 HydrophobicContact CD1-CD1 3.89Å; I292-I299 HydrophobicContact CD1-CG1 3.78Å; I292-I299 HydrophobicContact CG1-CD1 4.24Å; I292-I299 HydrophobicContact CG1-CG1 4.17Å; V297-I299 HydrophobicContact CG1-CD1 4.45Å
300	R	96.7	Very high	97.4	Very high	56 Å²	56	56.7 Å²	56.7	21%	0.211	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.5	177.4	-69.6	-67.2	-176.1	-123.9	11.4	110.5	F211 L212 S213 T214 F298 F313 E320	F211-R300 HydrophobicContact CB-CG 4.15Å; F211-R300 HydrophobicContact CD1-CG 3.72Å; F211-R300 HydrophobicContact CG-CG 4.34Å; L212-R300 PolarHBondContact O-N 2.8Å; S213-R300 WeakPolarHBondContact CA-O 3.45Å; T214-R300 PolarHBondContact N-O 3.04Å; F298-R300 PolarHBondContact O-N 3.07Å; R300-F313 HydrophobicContact CB-CD1 3.68Å; R300-F313 HydrophobicContact CB-CD2 4.31Å; R300-F313 HydrophobicContact CB-CE1 3.67Å; R300-F313 HydrophobicContact CB-CE2 4.3Å; R300-F313 HydrophobicContact CB-CG 4.01Å; R300-F313 HydrophobicContact CB-CZ 4Å; R300-F313 HydrophobicContact CG-CD1 4.28Å; R300-F313 HydrophobicContact CG-CD2 4.06Å; R300-F313 HydrophobicContact CG-CE1 4.06Å; R300-F313 HydrophobicContact CG-CE2 3.83Å; R300-F313 HydrophobicContact CG-CG 4.28Å; R300-F313 HydrophobicContact CG-CZ 3.83Å; R300-E320 IonicContact CZ-OE1 3.94Å; R300-E320 IonicContact NH2-OE1 2.96Å; R300-E320 PolarHBondContact NH2-OE1 3.35Å
301	P	95.4	Very high	97.4	Very high	45 Å²	45	54.9 Å²	54.9	29%	0.292	28%	0.276	S	S	.	.			trans	-67.9	-179.2	169.9	31.6	-34	0	0	0	110	S213 T214 F313 N314	S213-P301 PolarHBondContact OG-O 3.36Å; T214-P301 CarbonylContact O-C 3.4Å; P301-F313 HydrophobicContact CG-CB 4.08Å; P301-F313 WeakPolarHBondContact O-CD1 3.13Å; P301-N314 WeakPolarHBondContact CG-O 3.36Å
302	S	94.9	Very high	97.4	Very high	33 Å²	33	53.3 Å²	53.3	23%	0.231	27%	0.272	C	S	.	.			trans	-55.5	153.6	179.1	54.1	0	0	0	0	113.3	T214 N314	T214-S302 PolarHBondContact O-N 2.69Å; S302-N314 PolarHBondContact O-N 2.93Å; S302-N314 PolarHBondContact O-ND2 3.13Å; S302-N314 PolarHBondContact OG-ND2 2.86Å
303	I	96.3	Very high	97.3	Very high	13 Å²	13	52 Å²	52	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.8	177.7	-63.7	173.1	0	0	0	109.3	F160 L188 I190 V306 V311 F313 N314	F160-I303 HydrophobicContact CD1-CB 4.21Å; F160-I303 HydrophobicContact CD1-CD1 3.87Å; F160-I303 HydrophobicContact CE1-CD1 4.04Å; L188-I303 HydrophobicContact CD2-CD1 3.79Å; L188-I303 HydrophobicContact CD2-CG1 4.41Å; I190-I303 HydrophobicContact CD1-CD1 3.28Å; I190-I303 HydrophobicContact CG1-CD1 3.69Å; I303-V306 HydrophobicContact CG2-CG2 3.94Å; I303-V311 HydrophobicContact CB-CG1 4.45Å; I303-V311 HydrophobicContact CD1-CG1 4.3Å; I303-V311 HydrophobicContact CG1-CG1 3.99Å; I303-V311 HydrophobicContact CG2-CG1 3.83Å; I303-F313 HydrophobicContact CG1-CD1 4.23Å; I303-F313 HydrophobicContact CG1-CE1 4.18Å; I303-N314 PolarHBondContact O-ND2 2.78Å
304	K	96.4	Very high	97.1	Very high	124 Å²	124	48.6 Å²	48.6	54%	0.539	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-49	170.7	-175.6	178	175.5	-177.6	0	110.7	I312 N314	K304-I312 HydrophobicContact CB-CG2 4.27Å; K304-I312 WeakPolarHBondContact CB-O 3.32Å; K304-I312 HydrophobicContact CD-CG2 4.24Å; K304-I312 PolarHBondContact N-O 2.74Å; K304-N314 WeakPolarHBondContact CB-OD1 3.26Å
305	E	96.4	Very high	96.7	Very high	84 Å²	84	52.1 Å²	52.1	39%	0.393	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	144.3	-176.4	-175.3	-179	-173	0	0	109.9	I312	E305-I312 PolarHBondContact N-O 3.22Å; E305-I312 PolarHBondContact O-N 3.07Å
306	V	98.1	Very high	96.2	Very high	2 Å²	2	53 Å²	53	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.2	170	-176.9	0	0	0	0	108.4	P161 G162 I163 F166 I303 V311 I325	P161-V306 PolarHBondContact O-N 3.34Å; G162-V306 CarbonylContact C-O 3.28Å; G162-V306 VanDerWaalsContact CA-O 3.28Å; G162-V306 WeakPolarHBondContact CA-O 3.38Å; I163-V306 HydrophobicContact CD1-CG1 4.11Å; I163-V306 HydrophobicContact CD1-CG2 4.31Å; F166-V306 HydrophobicContact CB-CG1 3.81Å; F166-V306 HydrophobicContact CD2-CG1 3.87Å; F166-V306 HydrophobicContact CG-CG1 4.02Å; I303-V306 HydrophobicContact CG2-CG2 3.94Å; V306-V311 HydrophobicContact CG1-CG2 4.22Å; V306-V311 HydrophobicContact CG2-CG2 4.29Å; V306-I325 HydrophobicContact CG1-CD1 4.12Å
307	K	97.6	Very high	95.3	Very high	71 Å²	71	54 Å²	54	31%	0.309	28%	0.283	S	S	.	.			trans	-105.8	-174.4	175.5	-69.2	-175.8	172.2	-176.5	0	110.2	F166 N309 S310 I312 E319	F166-K307 WeakPolarHBondContact CD2-O 3.41Å; K307-N309 PolarHBondContact O-N 2.98Å; K307-S310 WeakPolarHBondContact CB-OG 3.5Å; K307-S310 PolarHBondContact N-O 3.22Å; K307-I312 HydrophobicContact CD-CD1 4.31Å; K307-E319 WeakPolarHBondContact CD-OE2 3.39Å; K307-E319 IonicContact NZ-OE2 2.66Å; K307-E319 PolarHBondContact NZ-OE2 3.3Å
308	E	97.8	Very high	95	Very high	96 Å²	96	58.9 Å²	58.9	45%	0.449	30%	0.304	S	S	.	.	S	Bend	trans	-58.9	-40.9	-175.8	-60.5	-167	150.8	0	0	114.5	A165 K167	A165-E308 WeakPolarHBondContact O-CA 3.38Å; K167-E308 HydrophobicContact CD-CB 4.19Å; K167-E308 WeakPolarHBondContact CE-OE2 3.38Å; K167-E308 HydrophobicContact CG-CB 4.35Å; K167-E308 PolarHBondContact N-O 2.93Å; K167-E308 IonicContact NZ-OE1 3.33Å; K167-E308 PolarHBondContact NZ-OE1 3.39Å; K167-E308 VanDerWaalsContact NZ-OE1 3.07Å; K167-E308 IonicContact NZ-OE2 2.7Å; K167-E308 PolarHBondContact NZ-OE2 3.44Å
309	N	97.6	Very high	94.8	Very high	91 Å²	91	59.6 Å²	59.6	49%	0.487	31%	0.308	S	S	.	.	S	Bend	trans	-136.8	22.5	-177.5	-61.7	-64.3	0	0	0	112.3	K307 P321 I322	K307-N309 PolarHBondContact O-N 2.98Å; N309-P321 WeakPolarHBondContact O-CA 3.43Å; N309-I322 PolarHBondContact O-N 2.9Å
310	S	97.9	Very high	94.8	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	166.5	-170	60.1	0	0	0	0	112.2	K307 E319 E320	K307-S310 WeakPolarHBondContact CB-OG 3.5Å; K307-S310 PolarHBondContact N-O 3.22Å; S310-E319 VanDerWaalsContact CB-CG 3.46Å; S310-E319 WeakPolarHBondContact CB-OE1 3.43Å; S310-E319 WeakPolarHBondContact OG-CG 3.47Å; S310-E319 PolarHBondContact OG-OE1 3.37Å; S310-E320 CarbonylContact C-O 3.57Å; S310-E320 WeakPolarHBondContact CA-O 3.47Å; S310-E320 VanDerWaalsContact CB-O 3.29Å; S310-E320 WeakPolarHBondContact CB-O 3.31Å
311	V	98	Very high	94.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.1	179.4	177.5	0	0	0	0	110.1	L188 I303 V306 F313 E320 I322 I325	L188-V311 HydrophobicContact CD2-CB 4.15Å; L188-V311 HydrophobicContact CD2-CG1 3.96Å; L188-V311 HydrophobicContact CD2-CG2 3.76Å; I303-V311 HydrophobicContact CB-CG1 4.45Å; I303-V311 HydrophobicContact CD1-CG1 4.3Å; I303-V311 HydrophobicContact CG1-CG1 3.99Å; I303-V311 HydrophobicContact CG2-CG1 3.83Å; V306-V311 HydrophobicContact CG1-CG2 4.22Å; V306-V311 HydrophobicContact CG2-CG2 4.29Å; V311-F313 HydrophobicContact CB-CZ 4.48Å; V311-F313 HydrophobicContact CG1-CD1 4.38Å; V311-F313 HydrophobicContact CG1-CE1 4.03Å; V311-F313 HydrophobicContact CG1-CE2 4.46Å; V311-F313 HydrophobicContact CG1-CZ 4.07Å; V311-E320 PolarHBondContact N-O 2.76Å; V311-E320 PolarHBondContact O-N 3.29Å; V311-I322 HydrophobicContact CB-CG1 4.16Å; V311-I322 HydrophobicContact CG2-CB 4.35Å; V311-I322 HydrophobicContact CG2-CG1 3.88Å; V311-I325 HydrophobicContact CG2-CD1 4.21Å
312	I	97.7	Very high	95	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	169.8	-59.3	177.4	0	0	0	108.1	K304 E305 K307 E319	K304-I312 HydrophobicContact CB-CG2 4.27Å; K304-I312 WeakPolarHBondContact CB-O 3.32Å; K304-I312 HydrophobicContact CD-CG2 4.24Å; K304-I312 PolarHBondContact N-O 2.74Å; E305-I312 PolarHBondContact N-O 3.22Å; E305-I312 PolarHBondContact O-N 3.07Å; K307-I312 HydrophobicContact CD-CD1 4.31Å; I312-E319 HydrophobicContact CG1-CB 4.26Å; I312-E319 HydrophobicContact CG1-CG 4.33Å
313	F	96.9	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	155.5	176.6	-57.6	-79.6	0	0	0	111.1	L188 F211 R300 P301 I303 V311 T316 E320	L188-F313 HydrophobicContact CD1-CE1 3.82Å; L188-F313 HydrophobicContact CD1-CZ 3.89Å; L188-F313 HydrophobicContact CD2-CE1 4.2Å; L188-F313 HydrophobicContact CD2-CZ 4.23Å; F211-F313 HydrophobicContact CB-CZ 4.4Å; R300-F313 HydrophobicContact CB-CD1 3.68Å; R300-F313 HydrophobicContact CB-CD2 4.31Å; R300-F313 HydrophobicContact CB-CE1 3.67Å; R300-F313 HydrophobicContact CB-CE2 4.3Å; R300-F313 HydrophobicContact CB-CG 4.01Å; R300-F313 HydrophobicContact CB-CZ 4Å; R300-F313 HydrophobicContact CG-CD1 4.28Å; R300-F313 HydrophobicContact CG-CD2 4.06Å; R300-F313 HydrophobicContact CG-CE1 4.06Å; R300-F313 HydrophobicContact CG-CE2 3.83Å; R300-F313 HydrophobicContact CG-CG 4.28Å; R300-F313 HydrophobicContact CG-CZ 3.83Å; P301-F313 HydrophobicContact CG-CB 4.08Å; P301-F313 WeakPolarHBondContact O-CD1 3.13Å; I303-F313 HydrophobicContact CG1-CD1 4.23Å; I303-F313 HydrophobicContact CG1-CE1 4.18Å; V311-F313 HydrophobicContact CB-CZ 4.48Å; V311-F313 HydrophobicContact CG1-CD1 4.38Å; V311-F313 HydrophobicContact CG1-CE1 4.03Å; V311-F313 HydrophobicContact CG1-CE2 4.46Å; V311-F313 HydrophobicContact CG1-CZ 4.07Å; F313-T316 PolarHBondContact O-N 3.46Å; F313-E320 HydrophobicContact CD2-CG 4.49Å; F313-E320 HydrophobicContact CE2-CB 4.15Å; F313-E320 HydrophobicContact CE2-CG 4.01Å
314	N	94.1	Very high	95.3	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	150.5	171.5	-74.6	-49.7	0	0	0	110.8	P301 S302 I303 K304 T316	P301-N314 WeakPolarHBondContact CG-O 3.36Å; S302-N314 PolarHBondContact O-N 2.93Å; S302-N314 PolarHBondContact O-ND2 3.13Å; S302-N314 PolarHBondContact OG-ND2 2.86Å; I303-N314 PolarHBondContact O-ND2 2.78Å; K304-N314 WeakPolarHBondContact CB-OD1 3.26Å; N314-T316 PolarHBondContact O-N 3.05Å
315	N	90	Very high	95.5	Very high	166 Å²	166	51.9 Å²	51.9	89%	0.888	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	13.6	-178.7	-52	-25.1	0	0	0	115
316	T	85.5	Confident	95.6	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.313	26%	0.257	S	S	.	.			trans	-138.3	123.7	177.6	-59.8	0	0	0	0	109.3	F313 N314 K318	F313-T316 PolarHBondContact O-N 3.46Å; N314-T316 PolarHBondContact O-N 3.05Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 HydrophobicContact CG2-CB 3.67Å
317	S	79.9	Confident	95.6	Very high	125 Å²	125	47.9 Å²	47.9	87%	0.874	26%	0.257	S	S	*	.			trans	-81.4	-13.2	175.1	52.9	0	0	0	0	113.3	E319	S317-E319 PolarHBondContact O-N 2.97Å
318	K	92.8	Very high	95.6	Very high	105 Å²	105	45 Å²	45	46%	0.457	25%	0.246	S	C	.	.			trans	-70.3	120.6	179.7	-172.4	-174.5	177.4	-155.7	0	110.7	T316 E320	T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 HydrophobicContact CG2-CB 3.67Å; K318-E320 WeakPolarHBondContact CD-OE1 3.36Å; K318-E320 WeakPolarHBondContact CE-OE1 3.2Å; K318-E320 VanDerWaalsContact NZ-CD 3.29Å; K318-E320 IonicContact NZ-OE1 2.81Å; K318-E320 PolarHBondContact NZ-OE1 2.94Å; K318-E320 IonicContact NZ-OE2 3.19Å; K318-E320 PolarHBondContact NZ-OE2 3.04Å
319	E	94	Very high	95.5	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.8	167.6	-174.7	170.9	153.3	0	0	109.6	K307 S310 I312 S317	K307-E319 WeakPolarHBondContact CD-OE2 3.39Å; K307-E319 IonicContact NZ-OE2 2.66Å; K307-E319 PolarHBondContact NZ-OE2 3.3Å; S310-E319 VanDerWaalsContact CB-CG 3.46Å; S310-E319 WeakPolarHBondContact CB-OE1 3.43Å; S310-E319 WeakPolarHBondContact OG-CG 3.47Å; S310-E319 PolarHBondContact OG-OE1 3.37Å; I312-E319 HydrophobicContact CG1-CB 4.26Å; I312-E319 HydrophobicContact CG1-CG 4.33Å; S317-E319 PolarHBondContact O-N 2.97Å
320	E	97.4	Very high	95.4	Very high	3 Å²	3	39 Å²	39	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.4	177.5	-64.5	-84.3	-167.8	0	0	108.7	K209 F211 R300 S310 V311 F313 K318	K209-E320 IonicContact NZ-OE1 3.19Å; K209-E320 IonicContact NZ-OE2 3.97Å; K209-E320 PolarHBondContact NZ-OE2 3.26Å; F211-E320 HydrophobicContact CE1-CB 4.47Å; F211-E320 HydrophobicContact CE1-CG 4.03Å; F211-E320 HydrophobicContact CE2-CB 4.21Å; F211-E320 HydrophobicContact CZ-CB 3.87Å; F211-E320 VanDerWaalsContact CZ-CD 3.48Å; F211-E320 HydrophobicContact CZ-CG 3.84Å; F211-E320 WeakPolarHBondContact CZ-OE2 3.36Å; R300-E320 IonicContact CZ-OE1 3.94Å; R300-E320 IonicContact NH2-OE1 2.96Å; R300-E320 PolarHBondContact NH2-OE1 3.35Å; S310-E320 CarbonylContact C-O 3.57Å; S310-E320 WeakPolarHBondContact CA-O 3.47Å; S310-E320 VanDerWaalsContact CB-O 3.29Å; S310-E320 WeakPolarHBondContact CB-O 3.31Å; V311-E320 PolarHBondContact N-O 2.76Å; V311-E320 PolarHBondContact O-N 3.29Å; F313-E320 HydrophobicContact CD2-CG 4.49Å; F313-E320 HydrophobicContact CE2-CB 4.15Å; F313-E320 HydrophobicContact CE2-CG 4.01Å; K318-E320 WeakPolarHBondContact CD-OE1 3.36Å; K318-E320 WeakPolarHBondContact CE-OE1 3.2Å; K318-E320 VanDerWaalsContact NZ-CD 3.29Å; K318-E320 IonicContact NZ-OE1 2.81Å; K318-E320 PolarHBondContact NZ-OE1 2.94Å; K318-E320 IonicContact NZ-OE2 3.19Å; K318-E320 PolarHBondContact NZ-OE2 3.04Å
321	P	98.2	Very high	95.2	Very high	63 Å²	63	41.1 Å²	41.1	41%	0.409	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	135	173.5	-20.7	32.1	0	0	0	111	R186 N309	R186-P321 WeakPolarHBondContact CB-O 3.06Å; R186-P321 WeakPolarHBondContact CD-O 3.28Å; N309-P321 WeakPolarHBondContact O-CA 3.43Å
322	I	98.6	Very high	95	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.251	C	S	.	.			trans	-137	133.4	-177.4	-59.7	-61.8	0	0	0	109.2	F166 L188 F211 N309 V311 I324 I325	F166-I322 HydrophobicContact CE2-CB 4.36Å; F166-I322 HydrophobicContact CE2-CG2 4.45Å; F166-I322 VanDerWaalsContact CE2-O 3.31Å; F166-I322 WeakPolarHBondContact CE2-O 3.38Å; F166-I322 HydrophobicContact CZ-CB 4.41Å; F166-I322 HydrophobicContact CZ-CG2 4.05Å; F166-I322 WeakPolarHBondContact CZ-O 3.09Å; L188-I322 HydrophobicContact CB-CD1 3.92Å; L188-I322 HydrophobicContact CB-CG1 4.24Å; L188-I322 HydrophobicContact CB-CG2 3.85Å; F211-I322 HydrophobicContact CD2-CD1 3.44Å; F211-I322 VanDerWaalsContact CD2-CD1 3.44Å; F211-I322 HydrophobicContact CE2-CD1 3.56Å; N309-I322 PolarHBondContact O-N 2.9Å; V311-I322 HydrophobicContact CB-CG1 4.16Å; V311-I322 HydrophobicContact CG2-CB 4.35Å; V311-I322 HydrophobicContact CG2-CG1 3.88Å; I322-I324 WeakPolarHBondContact CG2-O 3.45Å; I322-I325 HydrophobicContact CG2-CG1 3.75Å
323	D	98.7	Very high	94.7	Very high	63 Å²	63	43.9 Å²	43.9	34%	0.337	25%	0.249	S	C	.	.	S	Bend	trans	-98.6	-36.6	176	-56.6	-57.3	0	0	0	111.9	G168 Q169 K185 R186	G168-D323 WeakPolarHBondContact CA-O 3.14Å; Q169-D323 PolarHBondContact N-O 3.19Å; K185-D323 HydrophobicContact CB-CB 4.23Å; K185-D323 HydrophobicContact CD-CB 4.09Å; R186-D323 WeakPolarHBondContact CB-OD2 3.38Å; R186-D323 PolarHBondContact N-OD2 3.41Å; R186-D323 PolarHBondContact O-N 3.37Å
324	I	98.8	Very high	94.6	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.7	-175.3	-57.1	-178.6	0	0	0	111	Q169 F171 I181 F182 K185 R186 V187 L188 I322 V326	Q169-I324 HydrophobicContact CB-CG1 4.43Å; Q169-I324 CarbonylContact O-C 3.58Å; Q169-I324 VanDerWaalsContact O-CA 3.26Å; Q169-I324 WeakPolarHBondContact O-CA 3.33Å; F171-I324 HydrophobicContact CE1-CG2 3.7Å; F171-I324 HydrophobicContact CZ-CG2 4.21Å; I181-I324 WeakPolarHBondContact O-CD1 3.36Å; F182-I324 HydrophobicContact CD1-CD1 4.08Å; F182-I324 HydrophobicContact CD1-CG2 4.38Å; F182-I324 HydrophobicContact CE1-CG2 4.03Å; K185-I324 HydrophobicContact CB-CD1 4.23Å; K185-I324 HydrophobicContact CG-CD1 3.88Å; K185-I324 HydrophobicContact CG-CG1 4.44Å; R186-I324 PolarHBondContact O-N 2.85Å; R186-I324 VanDerWaalsContact O-N 3.17Å; V187-I324 CarbonylContact C-O 3.52Å; V187-I324 WeakPolarHBondContact CA-O 3.47Å; L188-I324 PolarHBondContact N-O 3.45Å; I322-I324 WeakPolarHBondContact CG2-O 3.45Å; I324-V326 HydrophobicContact CG2-CG2 4.25Å
325	I	98.8	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.1	172.4	-58.5	174	0	0	0	110.2	I163 F166 Q169 Y170 F171 L188 I190 V306 V311 I322 F327	I163-I325 HydrophobicContact CD1-CD1 4.02Å; F166-I325 HydrophobicContact CD1-CD1 3.91Å; F166-I325 HydrophobicContact CD1-CG1 4.44Å; F166-I325 HydrophobicContact CD2-CD1 4.25Å; F166-I325 HydrophobicContact CE1-CD1 3.75Å; F166-I325 HydrophobicContact CE1-CG1 3.82Å; F166-I325 HydrophobicContact CE2-CD1 4.13Å; F166-I325 HydrophobicContact CG-CD1 4.16Å; F166-I325 HydrophobicContact CZ-CD1 3.88Å; F166-I325 HydrophobicContact CZ-CG1 3.9Å; Q169-I325 PolarHBondContact O-N 2.91Å; Y170-I325 WeakPolarHBondContact CA-O 3.23Å; Y170-I325 WeakPolarHBondContact CB-O 3.37Å; F171-I325 PolarHBondContact N-O 3.37Å; F171-I325 VanDerWaalsContact N-O 3.09Å; L188-I325 HydrophobicContact CB-CG1 4.34Å; L188-I325 HydrophobicContact CD2-CG1 4.39Å; L188-I325 CarbonylContact O-C 3.58Å; L188-I325 VanDerWaalsContact O-CA 3.32Å; L188-I325 WeakPolarHBondContact O-CA 3.22Å; I190-I325 HydrophobicContact CD1-CG2 3.36Å; I190-I325 HydrophobicContact CG1-CG2 4.04Å; V306-I325 HydrophobicContact CG1-CD1 4.12Å; V311-I325 HydrophobicContact CG2-CD1 4.21Å; I322-I325 HydrophobicContact CG2-CG1 3.75Å; I325-F327 HydrophobicContact CB-CE2 4.36Å; I325-F327 HydrophobicContact CG2-CD2 4Å; I325-F327 HydrophobicContact CG2-CE2 3.56Å; I325-F327 HydrophobicContact CG2-CZ 3.86Å
326	V	98.8	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.2	174.3	-171.5	0	0	0	0	109.9	F171 F182 V187 L188 V189 I190 I199 I324 A328	F171-V326 HydrophobicContact CD2-CG1 4.32Å; F171-V326 HydrophobicContact CE1-CG2 4.4Å; F171-V326 HydrophobicContact CE2-CB 4.39Å; F171-V326 HydrophobicContact CE2-CG1 3.89Å; F171-V326 HydrophobicContact CE2-CG2 3.81Å; F171-V326 HydrophobicContact CZ-CG2 3.66Å; F171-V326 WeakPolarHBondContact O-CA 3.36Å; F182-V326 HydrophobicContact CE1-CG2 3.85Å; F182-V326 HydrophobicContact CZ-CG2 3.94Å; V187-V326 HydrophobicContact CG1-CG2 4.34Å; L188-V326 PolarHBondContact O-N 3.22Å; V189-V326 CarbonylContact C-O 3.48Å; V189-V326 WeakPolarHBondContact CA-O 3.37Å; V189-V326 HydrophobicContact CG1-CB 4.36Å; V189-V326 HydrophobicContact CG2-CB 4.23Å; V189-V326 HydrophobicContact CG2-CG2 4.48Å; I190-V326 PolarHBondContact N-O 2.93Å; I199-V326 HydrophobicContact CD1-CG1 4.33Å; I199-V326 HydrophobicContact CG2-CG1 4.24Å; I199-V326 HydrophobicContact CG2-CG2 4.47Å; I324-V326 HydrophobicContact CG2-CG2 4.25Å; V326-A328 PolarHBondContact O-N 3.44Å
327	F	98.6	Very high	95.4	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	100.9	175.1	-67.9	-92.6	0	0	0	110.2	L155 L157 F160 I163 Y170 F171 H172 S173 I190 I325 T329	L155-F327 HydrophobicContact CD1-CB 3.45Å; L155-F327 VanDerWaalsContact CD1-CB 3.45Å; L155-F327 HydrophobicContact CD1-CD1 3.68Å; L155-F327 HydrophobicContact CD1-CD2 3.69Å; L155-F327 HydrophobicContact CD1-CE1 4.32Å; L155-F327 HydrophobicContact CD1-CE2 4.32Å; L155-F327 HydrophobicContact CD1-CG 3.32Å; L157-F327 HydrophobicContact CD2-CZ 4.37Å; F160-F327 HydrophobicContact CD1-CE1 4.3Å; F160-F327 HydrophobicContact CD2-CD1 4.37Å; F160-F327 AromaticContact CD2-CE1 3.56Å; F160-F327 HydrophobicContact CD2-CE1 3.56Å; F160-F327 HydrophobicContact CD2-CZ 4.41Å; F160-F327 HydrophobicContact CE1-CE1 4.31Å; F160-F327 AromaticContact CE2-CD1 3.95Å; F160-F327 HydrophobicContact CE2-CD1 3.95Å; F160-F327 AromaticContact CE2-CE1 3.56Å; F160-F327 HydrophobicContact CE2-CE1 3.56Å; F160-F327 AromaticContact CG-CE1 3.94Å; F160-F327 HydrophobicContact CG-CE1 3.94Å; F160-F327 HydrophobicContact CZ-CD1 4.23Å; F160-F327 AromaticContact CZ-CE1 3.96Å; F160-F327 HydrophobicContact CZ-CE1 3.96Å; I163-F327 HydrophobicContact CD1-CE2 4.32Å; I163-F327 HydrophobicContact CD1-CZ 3.93Å; I163-F327 HydrophobicContact CG1-CZ 4.19Å; Y170-F327 HydrophobicContact CD2-CD2 4.05Å; Y170-F327 AromaticContact CD2-CE2 3.52Å; Y170-F327 HydrophobicContact CD2-CE2 3.52Å; Y170-F327 HydrophobicContact CE2-CE2 4.38Å; Y170-F327 AromaticContact CG-CE2 3.98Å; Y170-F327 HydrophobicContact CG-CE2 3.98Å; F171-F327 PolarHBondContact O-N 3.01Å; H172-F327 CarbonylContact C-O 3.57Å; H172-F327 WeakPolarHBondContact CA-O 3.48Å; H172-F327 PolarHBondContact CD2-O 3.16Å; H172-F327 PolarHBondContact NE2-O 2.76Å; S173-F327 PolarHBondContact N-O 3.37Å; I190-F327 HydrophobicContact CB-CD1 4.36Å; I190-F327 HydrophobicContact CD1-CD1 3.74Å; I190-F327 HydrophobicContact CD1-CE1 3.4Å; I190-F327 VanDerWaalsContact CD1-CE1 3.4Å; I190-F327 HydrophobicContact CD1-CE2 4.48Å; I190-F327 HydrophobicContact CD1-CG 4.41Å; I190-F327 HydrophobicContact CD1-CZ 3.83Å; I325-F327 HydrophobicContact CB-CE2 4.36Å; I325-F327 HydrophobicContact CG2-CD2 4Å; I325-F327 HydrophobicContact CG2-CE2 3.56Å; I325-F327 HydrophobicContact CG2-CZ 3.86Å; F327-T329 HydrophobicContact CB-CG2 4.35Å; F327-T329 HydrophobicContact CD1-CG2 4.18Å; F327-T329 PolarHBondContact O-N 3.44Å
328	A	97.8	Very high	96.2	Very high	10 Å²	10	35.2 Å²	35.2	8%	0.083	20%	0.202	C	C	.	.			trans	-95.1	47.6	169.6	0	0	0	0	0	110.8	V189 I190 V326 G330	V189-A328 HydrophobicContact CG1-CB 4.18Å; I190-A328 CarbonylContact O-C 3.54Å; I190-A328 VanDerWaalsContact O-CA 3.31Å; I190-A328 WeakPolarHBondContact O-CA 3.4Å; I190-A328 WeakPolarHBondContact O-CB 3.18Å; I190-A328 PolarHBondContact O-N 2.93Å; V326-A328 PolarHBondContact O-N 3.44Å; A328-G330 VanDerWaalsContact C-N 3.3Å; A328-G330 PolarHBondContact O-N 3.17Å
329	T	95.9	Very high	96.2	Very high	36 Å²	36	34.7 Å²	34.7	22%	0.221	21%	0.205	C	C	.	.			trans	-84.8	-1.3	-172	41.4	0	0	0	0	113.8	Y154 F160 H172 I190 F327	Y154-T329 WeakPolarHBondContact O-CB 3.49Å; Y154-T329 PolarHBondContact O-OG1 2.77Å; F160-T329 HydrophobicContact CZ-CG2 4.4Å; H172-T329 PolarHBondContact CD2-OG1 2.85Å; I190-T329 HydrophobicContact CG2-CG2 4.26Å; F327-T329 HydrophobicContact CB-CG2 4.35Å; F327-T329 HydrophobicContact CD1-CG2 4.18Å; F327-T329 PolarHBondContact O-N 3.44Å
330	G	94.1	Very high	96.1	Very high	26 Å²	26	37.6 Å²	37.6	27%	0.268	22%	0.218	S	C	.	.			trans	95.9	-161.6	172.6	0	0	0	0	0	113.3	Y154 H172 A328	Y154-G330 PolarHBondContact N-O 2.93Å; H172-G330 PolarHBondContact CE1-O 3.11Å; H172-G330 VanDerWaalsContact CE1-O 3.22Å; H172-G330 PolarHBondContact NE2-O 2.99Å; A328-G330 VanDerWaalsContact C-N 3.3Å; A328-G330 PolarHBondContact O-N 3.17Å
331	Y	94.4	Very high	95.8	Very high	50 Å²	50	40.4 Å²	40.4	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.6	-170.5	-63.2	-95.1	0	0	0	110.6	L150 N152 H172 R174	L150-Y331 HydrophobicContact CB-CG 4.49Å; L150-Y331 HydrophobicContact CD2-CD2 3.84Å; L150-Y331 HydrophobicContact CD2-CG 4.23Å; L150-Y331 WeakPolarHBondContact O-CD1 3.47Å; L150-Y331 WeakPolarHBondContact O-CE1 3.2Å; N152-Y331 CarbonylContact O-C 3.54Å; N152-Y331 WeakPolarHBondContact O-CA 3.4Å; N152-Y331 WeakPolarHBondContact O-CB 3.27Å; N152-Y331 WeakPolarHBondContact O-CD1 3.45Å; H172-Y331 AromaticContact CE1-CE1 3.85Å; H172-Y331 AromaticContact CE1-CZ 3.74Å; R174-Y331 WeakPolarHBondContact CA-OH 3.25Å; R174-Y331 HydrophobicContact CB-CE1 3.93Å; R174-Y331 HydrophobicContact CG-CE1 4.24Å
332	T	93.4	Very high	95.6	Very high	62 Å²	62	37.6 Å²	37.6	38%	0.38	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	176.1	162.8	67.9	0	0	0	0	109.4	F149 N152 Y154	F149-T332 VanDerWaalsContact O-O 3.06Å; N152-T332 WeakPolarHBondContact CB-O 3.43Å; N152-T332 WeakPolarHBondContact CB-OG1 3.41Å; N152-T332 PolarHBondContact O-N 3.43Å; Y154-T332 HydrophobicContact CD2-CG2 3.76Å; Y154-T332 HydrophobicContact CG-CG2 4.12Å
333	F	92.6	Very high	95.4	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.079	22%	0.223	C	C	.	.			trans	-144.2	155.7	173.8	60.8	-90	0	0	0	110.5	F149 F335 V345 G348 L371 L428	F149-F333 HydrophobicContact CB-CB 3.61Å; F149-F333 HydrophobicContact CB-CD1 3.83Å; F149-F333 HydrophobicContact CB-CG 3.85Å; F333-F335 HydrophobicContact CD2-CE2 4.13Å; F333-F335 HydrophobicContact CD2-CZ 4.41Å; F333-F335 HydrophobicContact CE2-CE2 4.33Å; F333-V345 HydrophobicContact CD2-CG1 3.95Å; F333-V345 HydrophobicContact CD2-CG2 4.05Å; F333-V345 HydrophobicContact CE2-CB 4.24Å; F333-V345 HydrophobicContact CE2-CG1 3.43Å; F333-V345 VanDerWaalsContact CE2-CG1 3.43Å; F333-V345 HydrophobicContact CE2-CG2 3.73Å; F333-V345 HydrophobicContact CZ-CG1 3.84Å; F333-G348 WeakPolarHBondContact CE1-O 3.4Å; F333-G348 VanDerWaalsContact CZ-O 3.29Å; F333-G348 WeakPolarHBondContact CZ-O 3.43Å; F333-L371 HydrophobicContact CD1-CD1 4.22Å; F333-L371 HydrophobicContact CD2-CD1 3.8Å; F333-L371 HydrophobicContact CE1-CD1 4.17Å; F333-L371 HydrophobicContact CE2-CD1 3.75Å; F333-L371 HydrophobicContact CE2-CD2 3.89Å; F333-L371 HydrophobicContact CE2-CG 4.39Å; F333-L371 HydrophobicContact CG-CD1 4.04Å; F333-L371 HydrophobicContact CZ-CD1 3.94Å; F333-L371 HydrophobicContact CZ-CD2 4.33Å; F333-L428 HydrophobicContact CE1-CD1 3.93Å; F333-L428 HydrophobicContact CZ-CD1 4.17Å
334	A	93.2	Very high	94.8	Very high	47 Å²	47	39.9 Å²	39.9	39%	0.388	23%	0.228	S	C	.	.			trans	-153	160.6	177	0	0	0	0	0	109.2	P336	A334-P336 WeakPolarHBondContact O-CD 3.01Å
335	F	95.3	Very high	94.3	Very high	13 Å²	13	42 Å²	42	6%	0.057	24%	0.241	C	C	.	.			trans	-119.8	75	175.7	-58.9	-71.7	0	0	0	109.2	V145 T147 F333 F337 L338 V343 V345 I368 L371	V145-F335 HydrophobicContact CG1-CD1 3.96Å; V145-F335 HydrophobicContact CG1-CE1 3.94Å; T147-F335 WeakPolarHBondContact OG1-CE1 3.21Å; F333-F335 HydrophobicContact CD2-CE2 4.13Å; F333-F335 HydrophobicContact CD2-CZ 4.41Å; F333-F335 HydrophobicContact CE2-CE2 4.33Å; F335-F337 HydrophobicContact CB-CZ 4.42Å; F335-F337 HydrophobicContact CD1-CZ 4.01Å; F335-F337 PolarHBondContact O-N 2.87Å; F335-L338 HydrophobicContact CB-CB 3.97Å; F335-L338 HydrophobicContact CB-CD1 3.89Å; F335-L338 HydrophobicContact CB-CG 4.17Å; F335-L338 HydrophobicContact CG-CD1 4.18Å; F335-L338 PolarHBondContact O-N 2.87Å; F335-L338 VanDerWaalsContact O-O 3.12Å; F335-V343 HydrophobicContact CD2-CB 4.45Å; F335-V343 HydrophobicContact CD2-CG1 3.83Å; F335-V343 HydrophobicContact CE2-CG1 4.01Å; F335-V345 HydrophobicContact CD2-CG2 3.91Å; F335-V345 HydrophobicContact CE2-CG2 4.06Å; F335-I368 HydrophobicContact CE1-CG2 4.35Å; F335-I368 HydrophobicContact CZ-CG2 3.98Å; F335-L371 HydrophobicContact CE2-CD2 4.07Å; F335-L371 HydrophobicContact CZ-CD1 4.4Å; F335-L371 HydrophobicContact CZ-CD2 3.93Å
336	P	94.4	Very high	93.6	Very high	117 Å²	117	44.9 Å²	44.9	76%	0.76	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	-170.9	26.7	-35.9	0	0	0	114.3	A334	A334-P336 WeakPolarHBondContact O-CD 3.01Å
337	F	96.9	Very high	92.7	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.083	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.4	174.5	52.1	-92.8	0	0	0	112.8	V8 V110 C111 S112 V113 V145 T147 F335	V8-F337 HydrophobicContact CG1-CE1 4.33Å; V8-F337 HydrophobicContact CG1-CE2 4.26Å; V8-F337 HydrophobicContact CG1-CZ 4.01Å; V110-F337 HydrophobicContact CG1-CB 4.2Å; V110-F337 HydrophobicContact CG1-CD2 4.38Å; V110-F337 HydrophobicContact CG1-CG 4.27Å; C111-F337 WeakPolarHBondContact O-CA 3.43Å; C111-F337 WeakPolarHBondContact O-CB 3.46Å; S112-F337 CarbonylContact C-O 3.47Å; S112-F337 WeakPolarHBondContact CA-O 3.02Å; V113-F337 HydrophobicContact CG2-CD2 3.99Å; V113-F337 PolarHBondContact N-O 2.93Å; V145-F337 HydrophobicContact CG1-CE2 3.83Å; V145-F337 HydrophobicContact CG1-CZ 3.59Å; V145-F337 HydrophobicContact CG2-CE2 4.04Å; T147-F337 HydrophobicContact CG2-CE1 3.81Å; T147-F337 HydrophobicContact CG2-CZ 3.7Å; F335-F337 HydrophobicContact CB-CZ 4.42Å; F335-F337 HydrophobicContact CD1-CZ 4.01Å; F335-F337 PolarHBondContact O-N 2.87Å
338	L	96.8	Very high	91.7	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-107.6	139.4	174	-70	175.7	0	0	0	109.9	V113 V145 F335 V342 V343 L366 I368	V113-L338 HydrophobicContact CB-CD2 3.8Å; V113-L338 HydrophobicContact CG1-CD2 3.93Å; V145-L338 HydrophobicContact CG2-CD1 4.31Å; F335-L338 HydrophobicContact CB-CB 3.97Å; F335-L338 HydrophobicContact CB-CD1 3.89Å; F335-L338 HydrophobicContact CB-CG 4.17Å; F335-L338 HydrophobicContact CG-CD1 4.18Å; F335-L338 PolarHBondContact O-N 2.87Å; F335-L338 VanDerWaalsContact O-O 3.12Å; L338-V342 HydrophobicContact CD2-CG1 4.45Å; L338-V343 HydrophobicContact CD1-CB 4.29Å; L338-V343 HydrophobicContact CD1-CG2 3.97Å; L338-L366 HydrophobicContact CD2-CD1 3.77Å; L338-I368 HydrophobicContact CD1-CD1 4.19Å
339	D	94.1	Very high	90.9	Very high	94 Å²	94	53.9 Å²	53.9	50%	0.503	31%	0.309	S	S	.	.			trans	-69.7	145.4	170.5	-175.6	-98.6	0	0	0	111	S341 V342 V343	D339-S341 PolarHBondContact O-N 2.81Å; D339-S341 WeakPolarHBondContact OD1-CA 3.2Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.22Å; D339-S341 PolarHBondContact OD1-OG 2.91Å; D339-V342 HydrophobicContact CB-CG2 4.46Å; D339-V342 WeakPolarHBondContact O-CB 3.4Å; D339-V342 PolarHBondContact O-N 3.15Å; D339-V343 PolarHBondContact O-N 3.09Å
340	E	91.4	Very high	90.4	Very high	145 Å²	145	52.1 Å²	52.1	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.8	179.7	-68.4	-170.2	-178.6	0	0	112.7	V342	E340-V342 PolarHBondContact O-N 2.85Å
341	S	91.6	Very high	90.1	Very high	62 Å²	62	53 Å²	53	43%	0.434	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.9	172.9	75.5	0	0	0	0	113.2	D339 H360	D339-S341 PolarHBondContact O-N 2.81Å; D339-S341 WeakPolarHBondContact OD1-CA 3.2Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.22Å; D339-S341 PolarHBondContact OD1-OG 2.91Å; S341-H360 PolarHBondContact O-NE2 2.85Å
342	V	93.9	Very high	90.1	Very high	4 Å²	4	51 Å²	51	2%	0.024	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-54.3	176.3	-176	0	0	0	0	110.4	W125 L338 D339 E340 P358 H360 L361 L366	W125-V342 HydrophobicContact CH2-CG1 3.83Å; W125-V342 HydrophobicContact CH2-CG2 4.21Å; W125-V342 HydrophobicContact CZ3-CG1 4.3Å; W125-V342 HydrophobicContact CZ3-CG2 4.19Å; L338-V342 HydrophobicContact CD2-CG1 4.45Å; D339-V342 HydrophobicContact CB-CG2 4.46Å; D339-V342 WeakPolarHBondContact O-CB 3.4Å; D339-V342 PolarHBondContact O-N 3.15Å; E340-V342 PolarHBondContact O-N 2.85Å; V342-P358 WeakPolarHBondContact O-CB 3.4Å; V342-H360 PolarHBondContact O-CE1 2.96Å; V342-H360 PolarHBondContact O-NE2 3.38Å; V342-L361 HydrophobicContact CG1-CD1 4.38Å; V342-L361 HydrophobicContact CG1-CD2 4.46Å; V342-L366 HydrophobicContact CG1-CD1 4.06Å; V342-L366 HydrophobicContact CG1-CD2 4.49Å
343	V	93	Very high	90.3	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	28%	0.276	C	S	.	.			trans	-135.4	112.1	176.2	179.8	0	0	0	0	108.9	F335 L338 D339 A350 L352 P358 I368	F335-V343 HydrophobicContact CD2-CB 4.45Å; F335-V343 HydrophobicContact CD2-CG1 3.83Å; F335-V343 HydrophobicContact CE2-CG1 4.01Å; L338-V343 HydrophobicContact CD1-CB 4.29Å; L338-V343 HydrophobicContact CD1-CG2 3.97Å; D339-V343 PolarHBondContact O-N 3.09Å; V343-A350 HydrophobicContact CG1-CB 3.85Å; V343-L352 HydrophobicContact CG1-CD2 4.42Å; V343-L352 HydrophobicContact CG2-CD2 4.14Å; V343-P358 HydrophobicContact CG2-CG 3.92Å; V343-I368 HydrophobicContact CG2-CD1 4.33Å
344	K	86.6	Confident	90.4	Very high	101 Å²	101	47.6 Å²	47.6	44%	0.439	27%	0.273	S	S	.	.			trans	-92.5	130.2	170.3	-158.2	179.5	-173.1	-173.3	0	110	E346	K344-E346 HydrophobicContact CD-CG 3.92Å; K344-E346 VanDerWaalsContact CD-OE1 3.24Å; K344-E346 WeakPolarHBondContact CD-OE1 3.27Å; K344-E346 WeakPolarHBondContact CE-OE1 3.43Å; K344-E346 HydrophobicContact CG-CG 3.99Å; K344-E346 IonicContact NZ-OE1 3.24Å; K344-E346 PolarHBondContact NZ-OE1 2.61Å
345	V	88.3	Confident	90.5	Very high	50 Å²	50	46.2 Å²	46.2	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115	171.6	-178.1	0	0	0	0	108.1	F333 F335 Q349	F333-V345 HydrophobicContact CD2-CG1 3.95Å; F333-V345 HydrophobicContact CD2-CG2 4.05Å; F333-V345 HydrophobicContact CE2-CB 4.24Å; F333-V345 HydrophobicContact CE2-CG1 3.43Å; F333-V345 VanDerWaalsContact CE2-CG1 3.43Å; F333-V345 HydrophobicContact CE2-CG2 3.73Å; F333-V345 HydrophobicContact CZ-CG1 3.84Å; F335-V345 HydrophobicContact CD2-CG2 3.91Å; F335-V345 HydrophobicContact CE2-CG2 4.06Å; V345-Q349 WeakPolarHBondContact CA-O 3.49Å
346	E	84.1	Confident	90.7	Very high	60 Å²	60	45.6 Å²	45.6	28%	0.28	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.2	177	-65.3	-178	157	0	0	108.8	K344 G348 Q349 R413	K344-E346 HydrophobicContact CD-CG 3.92Å; K344-E346 VanDerWaalsContact CD-OE1 3.24Å; K344-E346 WeakPolarHBondContact CD-OE1 3.27Å; K344-E346 WeakPolarHBondContact CE-OE1 3.43Å; K344-E346 HydrophobicContact CG-CG 3.99Å; K344-E346 IonicContact NZ-OE1 3.24Å; K344-E346 PolarHBondContact NZ-OE1 2.61Å; E346-G348 PolarHBondContact O-N 3.07Å; E346-Q349 PolarHBondContact N-O 2.95Å; E346-Q349 PolarHBondContact O-N 3.17Å; E346-R413 IonicContact OE2-CZ 3.7Å; E346-R413 IonicContact OE2-NH1 3.11Å; E346-R413 PolarHBondContact OE2-NH1 3.33Å; E346-R413 IonicContact OE2-NH2 3.4Å; E346-R413 PolarHBondContact OE2-NH2 3.04Å
347	D	79.4	Confident	90.8	Very high	142 Å²	142	40 Å²	40	76%	0.759	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	32.8	174.9	-50.9	-44.5	0	0	0	114.6	Q349 R413	D347-Q349 VanDerWaalsContact C-N 3.27Å; D347-Q349 PolarHBondContact O-N 3.33Å; D347-R413 IonicContact OD2-NH2 2.83Å; D347-R413 PolarHBondContact OD2-NH2 3.39Å
348	G	78	Confident	90.8	Very high	38 Å²	38	39.5 Å²	39.5	39%	0.392	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	20.6	-177.5	0	0	0	0	0	114.1	F333 E346 A427	F333-G348 WeakPolarHBondContact CE1-O 3.4Å; F333-G348 VanDerWaalsContact CZ-O 3.29Å; F333-G348 WeakPolarHBondContact CZ-O 3.43Å; E346-G348 PolarHBondContact O-N 3.07Å; G348-A427 WeakPolarHBondContact O-CB 3.49Å
349	Q	80.8	Confident	90.7	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.2	174.9	-174.2	173.5	-7.7	0	0	110.6	V345 E346 D347 A427 L428	V345-Q349 WeakPolarHBondContact CA-O 3.49Å; E346-Q349 PolarHBondContact N-O 2.95Å; E346-Q349 PolarHBondContact O-N 3.17Å; D347-Q349 VanDerWaalsContact C-N 3.27Å; D347-Q349 PolarHBondContact O-N 3.33Å; Q349-A427 HydrophobicContact CB-CB 4.26Å; Q349-L428 HydrophobicContact CG-CD2 4.41Å
350	A	86.8	Confident	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.8	162.9	0	0	0	0	0	108.8	V343 L352 L371	V343-A350 HydrophobicContact CG1-CB 3.85Å; A350-L352 HydrophobicContact CB-CD1 3.71Å; A350-L352 HydrophobicContact CB-CG 3.75Å; A350-L352 PolarHBondContact O-N 2.72Å; A350-L371 HydrophobicContact CB-CD2 3.59Å
351	S	87.9	Confident	90.8	Very high	45 Å²	45	32.8 Å²	32.8	32%	0.315	18%	0.183	S	C	.	.			trans	-73.1	73.4	179.7	-65.3	0	0	0	0	111.3
352	L	94.5	Very high	90.9	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.1	-173.8	-59.5	173.4	0	0	0	110.8	V343 A350 K354 Y355 F357 P358 I368 L371	V343-L352 HydrophobicContact CG1-CD2 4.42Å; V343-L352 HydrophobicContact CG2-CD2 4.14Å; A350-L352 HydrophobicContact CB-CD1 3.71Å; A350-L352 HydrophobicContact CB-CG 3.75Å; A350-L352 PolarHBondContact O-N 2.72Å; L352-K354 PolarHBondContact O-N 3.48Å; L352-Y355 PolarHBondContact O-N 3.48Å; L352-F357 CarbonylContact C-O 3.58Å; L352-F357 WeakPolarHBondContact CA-O 3.42Å; L352-P358 HydrophobicContact CD2-CB 4.18Å; L352-P358 HydrophobicContact CD2-CG 3.83Å; L352-I368 HydrophobicContact CD1-CB 3.8Å; L352-I368 HydrophobicContact CD1-CG1 3.65Å; L352-I368 HydrophobicContact CD1-CG2 4.2Å; L352-I368 HydrophobicContact CD2-CG1 4.17Å; L352-L371 HydrophobicContact CD1-CD2 3.88Å
353	Y	96.2	Very high	91	Very high	7 Å²	7	39 Å²	39	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	122.5	172.2	-177.6	-113.1	0	0	0	109.4	Y355 I356 F357 W388 L399 P400 M405 E408 Y442	Y353-Y355 PolarHBondContact O-N 3.3Å; Y353-Y355 VanDerWaalsContact O-N 3.1Å; Y353-I356 PolarHBondContact O-N 2.74Å; Y353-F357 PolarHBondContact N-O 2.91Å; Y353-F357 PolarHBondContact O-N 3.3Å; Y353-F357 VanDerWaalsContact O-N 3.11Å; Y353-W388 AromaticContact CD1-CH2 3.89Å; Y353-W388 HydrophobicContact CD1-CH2 3.89Å; Y353-W388 AromaticContact CE1-CH2 3.7Å; Y353-W388 HydrophobicContact CE1-CH2 3.7Å; Y353-W388 HydrophobicContact CE1-CZ2 4.18Å; Y353-L399 HydrophobicContact CD1-CD2 4.32Å; Y353-L399 HydrophobicContact CE1-CD2 4.36Å; Y353-P400 HydrophobicContact CE1-CG 4.18Å; Y353-P400 HydrophobicContact CE2-CG 4.39Å; Y353-M405 HydrophobicContact CD1-CG 4.02Å; Y353-M405 HydrophobicContact CD1-SD 3.72Å; Y353-M405 HydrophobicContact CD2-CB 3.67Å; Y353-M405 HydrophobicContact CD2-CG 3.59Å; Y353-M405 HydrophobicContact CD2-SD 4.28Å; Y353-M405 HydrophobicContact CE1-CG 4.3Å; Y353-M405 HydrophobicContact CE1-SD 4.33Å; Y353-M405 HydrophobicContact CE2-CB 4.27Å; Y353-M405 HydrophobicContact CE2-CG 3.89Å; Y353-M405 HydrophobicContact CG-CB 3.97Å; Y353-M405 HydrophobicContact CG-CG 3.66Å; Y353-M405 HydrophobicContact CG-SD 3.7Å; Y353-E408 HydrophobicContact CE2-CB 4.43Å; Y353-E408 WeakPolarHBondContact CE2-OE1 3.28Å; Y353-E408 WeakPolarHBondContact CE2-OE2 3.26Å; Y353-Y442 PolarHBondContact OH-OH 2.82Å
354	K	95.6	Very high	91.2	Very high	2 Å²	2	41 Å²	41	1%	0.009	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	26.3	-172.6	-51.7	-58.5	-171.7	-175.7	0	114.1	L352 I356 W388 E408 Y435 E438 Y442	L352-K354 PolarHBondContact O-N 3.48Å; K354-I356 PolarHBondContact O-N 2.8Å; K354-W388 HydrophobicContact CB-CH2 4.17Å; K354-W388 HydrophobicContact CB-CZ3 3.8Å; K354-W388 HydrophobicContact CG-CH2 3.78Å; K354-W388 HydrophobicContact CG-CZ3 3.88Å; K354-E408 WeakPolarHBondContact CD-OE1 3.4Å; K354-E408 WeakPolarHBondContact CE-OE1 3.11Å; K354-E408 VanDerWaalsContact NZ-CD 3.33Å; K354-E408 IonicContact NZ-OE1 2.87Å; K354-E408 PolarHBondContact NZ-OE1 2.86Å; K354-E408 IonicContact NZ-OE2 3.96Å; K354-E408 PolarHBondContact NZ-OE2 3.41Å; K354-Y435 HydrophobicContact CB-CE2 4.32Å; K354-Y435 PolarHBondContact O-OH 2.91Å; K354-E438 WeakPolarHBondContact CD-OE2 3.33Å; K354-E438 VanDerWaalsContact CE-OE2 3.32Å; K354-E438 WeakPolarHBondContact CE-OE2 3.5Å; K354-E438 IonicContact NZ-OE1 3.33Å; K354-E438 PolarHBondContact NZ-OE1 3.19Å; K354-E438 IonicContact NZ-OE2 2.66Å; K354-E438 PolarHBondContact NZ-OE2 2.66Å; K354-Y442 WeakPolarHBondContact CE-OH 3.31Å; K354-Y442 PolarHBondContact NZ-OH 3.28Å
355	Y	95.9	Very high	91.8	Very high	18 Å²	18	37 Å²	37	7%	0.071	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	18.1	-173.7	-46.9	-76.3	0	0	0	115.2	L352 Y353 L371 I372 L428 Y435	L352-Y355 PolarHBondContact O-N 3.48Å; Y353-Y355 PolarHBondContact O-N 3.3Å; Y353-Y355 VanDerWaalsContact O-N 3.1Å; Y355-L371 WeakPolarHBondContact CB-O 3.32Å; Y355-I372 HydrophobicContact CD2-CB 4.44Å; Y355-I372 HydrophobicContact CD2-CD1 3.64Å; Y355-I372 HydrophobicContact CD2-CG1 3.96Å; Y355-I372 HydrophobicContact CE2-CD1 4.08Å; Y355-I372 HydrophobicContact CE2-CG1 4.34Å; Y355-I372 HydrophobicContact CG-CB 4.43Å; Y355-I372 HydrophobicContact CG-CD1 4.44Å; Y355-I372 HydrophobicContact CG-CG1 4.38Å; Y355-L428 HydrophobicContact CD1-CD2 3.65Å; Y355-L428 HydrophobicContact CE1-CD2 3.91Å; Y355-Y435 HydrophobicContact CD2-CE2 4.09Å
356	I	97.8	Very high	92.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-55.8	-176.5	-56.8	175.1	0	0	0	112.1	Y353 K354 A367 I368 I369 Q385 W388 A389 L439	Y353-I356 PolarHBondContact O-N 2.74Å; K354-I356 PolarHBondContact O-N 2.8Å; I356-A367 HydrophobicContact CG2-CB 3.69Å; I356-I368 WeakPolarHBondContact CA-O 3.23Å; I356-I368 PolarHBondContact O-N 3.45Å; I356-I369 HydrophobicContact CG2-CD1 4.06Å; I356-Q385 HydrophobicContact CD1-CB 3.76Å; I356-Q385 HydrophobicContact CD1-CG 3.65Å; I356-Q385 HydrophobicContact CG1-CB 4.37Å; I356-Q385 HydrophobicContact CG1-CG 4.07Å; I356-W388 HydrophobicContact CD1-CE3 3.53Å; I356-W388 HydrophobicContact CD1-CZ3 3.64Å; I356-A389 HydrophobicContact CG2-CB 4.28Å; I356-L439 HydrophobicContact CD1-CD1 4.44Å
357	F	97.9	Very high	93	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	-166.6	-67	-75.4	0	0	0	112.5	L352 Y353 A359 L366 A367 W388 A389 V392 L399	L352-F357 CarbonylContact C-O 3.58Å; L352-F357 WeakPolarHBondContact CA-O 3.42Å; Y353-F357 PolarHBondContact N-O 2.91Å; Y353-F357 PolarHBondContact O-N 3.3Å; Y353-F357 VanDerWaalsContact O-N 3.11Å; F357-A359 PolarHBondContact O-N 3.43Å; F357-L366 WeakPolarHBondContact CD1-O 3.43Å; F357-A367 HydrophobicContact CD1-CB 4.32Å; F357-A367 HydrophobicContact CE1-CB 3.87Å; F357-A367 HydrophobicContact CZ-CB 4.4Å; F357-W388 AromaticContact CD2-CH2 3.85Å; F357-W388 HydrophobicContact CD2-CH2 3.85Å; F357-W388 HydrophobicContact CD2-CZ2 4.49Å; F357-W388 AromaticContact CD2-CZ3 3.94Å; F357-W388 HydrophobicContact CD2-CZ3 3.94Å; F357-W388 HydrophobicContact CE2-CD2 4.34Å; F357-W388 AromaticContact CE2-CE3 3.99Å; F357-W388 HydrophobicContact CE2-CE3 3.99Å; F357-W388 AromaticContact CE2-CH2 3.78Å; F357-W388 HydrophobicContact CE2-CH2 3.78Å; F357-W388 HydrophobicContact CE2-CZ2 4.12Å; F357-W388 AromaticContact CE2-CZ3 3.71Å; F357-W388 HydrophobicContact CE2-CZ3 3.71Å; F357-A389 HydrophobicContact CZ-CB 4.13Å; F357-V392 HydrophobicContact CE1-CB 4.3Å; F357-V392 HydrophobicContact CE1-CG1 4.04Å; F357-V392 HydrophobicContact CE2-CB 4.4Å; F357-V392 HydrophobicContact CE2-CG1 4.5Å; F357-V392 HydrophobicContact CE2-CG2 4.13Å; F357-V392 HydrophobicContact CZ-CB 3.68Å; F357-V392 HydrophobicContact CZ-CG1 3.81Å; F357-V392 HydrophobicContact CZ-CG2 3.9Å; F357-L399 HydrophobicContact CB-CD1 3.92Å; F357-L399 HydrophobicContact CD1-CD1 4.06Å; F357-L399 HydrophobicContact CD2-CD1 3.99Å; F357-L399 HydrophobicContact CD2-CD2 3.79Å; F357-L399 HydrophobicContact CE2-CD2 3.87Å; F357-L399 HydrophobicContact CG-CD1 3.72Å; F357-L399 HydrophobicContact CG-CD2 4.39Å
358	P	96.6	Very high	93.9	Very high	8 Å²	8	25.1 Å²	25.1	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.2	166.5	-13.4	27.6	0	0	0	109.9	V342 V343 L352 H360 L361 L366	V342-P358 WeakPolarHBondContact O-CB 3.4Å; V343-P358 HydrophobicContact CG2-CG 3.92Å; L352-P358 HydrophobicContact CD2-CB 4.18Å; L352-P358 HydrophobicContact CD2-CG 3.83Å; P358-H360 VanDerWaalsContact C-N 3.28Å; P358-H360 PolarHBondContact O-N 2.87Å; P358-L361 HydrophobicContact CB-CD1 3.89Å; P358-L361 HydrophobicContact CB-CG 4.04Å; P358-L361 HydrophobicContact CG-CD1 3.79Å; P358-L361 HydrophobicContact CG-CG 4.48Å; P358-L361 PolarHBondContact O-N 3.45Å; P358-L366 WeakPolarHBondContact CD-O 2.95Å; P358-L366 HydrophobicContact CG-CD2 3.79Å
359	A	94.4	Very high	94.9	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.3	-167.7	0	0	0	0	0	114.6	F357 P402 M405 I406 I409	F357-A359 PolarHBondContact O-N 3.43Å; A359-P402 WeakPolarHBondContact O-CB 3.31Å; A359-M405 HydrophobicContact CB-CB 3.62Å; A359-M405 HydrophobicContact CB-CE 4.1Å; A359-M405 HydrophobicContact CB-SD 4.36Å; A359-M405 WeakPolarHBondContact O-CE 3.36Å; A359-I406 HydrophobicContact CB-CG1 3.96Å; A359-I409 HydrophobicContact CB-CD1 3.61Å
360	H	93.8	Very high	95.6	Very high	96 Å²	96	22.5 Å²	22.5	44%	0.444	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.3	-175.7	60.3	-74.5	0	0	0	114.1	S341 V342 P358	S341-H360 PolarHBondContact O-NE2 2.85Å; V342-H360 PolarHBondContact O-CE1 2.96Å; V342-H360 PolarHBondContact O-NE2 3.38Å; P358-H360 VanDerWaalsContact C-N 3.28Å; P358-H360 PolarHBondContact O-N 2.87Å
361	L	94.8	Very high	96	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.073	12%	0.116	C	C	.	.			trans	-68.6	135.5	177.7	-70.4	175.7	0	0	0	111.1	K115 F119 W125 V342 P358 K363 L366	K115-L361 HydrophobicContact CD-CD2 4.37Å; F119-L361 HydrophobicContact CE1-CD2 4.26Å; F119-L361 HydrophobicContact CZ-CD2 4.21Å; W125-L361 HydrophobicContact CH2-CD1 4.24Å; W125-L361 HydrophobicContact CH2-CD2 4.3Å; W125-L361 HydrophobicContact CZ2-CD1 4.04Å; V342-L361 HydrophobicContact CG1-CD1 4.38Å; V342-L361 HydrophobicContact CG1-CD2 4.46Å; P358-L361 HydrophobicContact CB-CD1 3.89Å; P358-L361 HydrophobicContact CB-CG 4.04Å; P358-L361 HydrophobicContact CG-CD1 3.79Å; P358-L361 HydrophobicContact CG-CG 4.48Å; P358-L361 PolarHBondContact O-N 3.45Å; L361-K363 VanDerWaalsContact C-N 3.25Å; L361-K363 PolarHBondContact O-N 2.78Å; L361-L366 HydrophobicContact CD1-CB 4.09Å
362	Q	93.4	Very high	96.3	Very high	122 Å²	122	20.4 Å²	20.4	57%	0.57	10%	0.101	S	C	*	.	S	Bend	trans	-66	-30.5	178.2	-59.9	87	-7.8	0	0	112.4
363	K	96.3	Very high	96.2	Very high	75 Å²	75	23.7 Å²	23.7	33%	0.326	12%	0.115	S	C	.	.	S	Bend	trans	-121.2	127.4	176.2	-59.9	-65.6	-176.1	177.9	0	108.7	F119 T120 V121 L361 T365	F119-K363 HydrophobicContact CE1-CB 4.31Å; F119-K363 HydrophobicContact CZ-CB 4.03Å; F119-K363 WeakPolarHBondContact O-CG 3.5Å; T120-K363 WeakPolarHBondContact O-CE 3.16Å; V121-K363 WeakPolarHBondContact O-CE 3.38Å; L361-K363 VanDerWaalsContact C-N 3.25Å; L361-K363 PolarHBondContact O-N 2.78Å; K363-T365 HydrophobicContact CB-CG2 4.15Å; K363-T365 PolarHBondContact O-N 2.92Å
364	P	96.9	Very high	95.9	Very high	52 Å²	52	24.1 Å²	24.1	34%	0.338	12%	0.119	S	C	.	.			trans	-81.3	58.9	-178.9	35.2	-37.1	0	0	0	110.8	V392 L393 L399	P364-V392 HydrophobicContact CB-CG1 4.04Å; P364-V392 HydrophobicContact CG-CG1 4.17Å; P364-L393 VanDerWaalsContact O-CD2 3.29Å; P364-L393 WeakPolarHBondContact O-CD2 3.29Å; P364-L399 HydrophobicContact CB-CD1 3.59Å; P364-L399 HydrophobicContact CB-CG 4.28Å
365	T	98.3	Very high	95.7	Very high	18 Å²	18	25.2 Å²	25.2	11%	0.11	13%	0.125	C	C	.	.			trans	-106.7	10.7	-174.7	53.4	0	0	0	0	113.4	G123 W125 D141 A142 V143 K363	G123-T365 VanDerWaalsContact O-CB 3.31Å; G123-T365 WeakPolarHBondContact O-CB 3.4Å; G123-T365 PolarHBondContact O-OG1 3.13Å; W125-T365 PolarHBondContact NE1-O 2.98Å; W125-T365 PolarHBondContact NE1-OG1 2.63Å; D141-T365 WeakPolarHBondContact O-CB 3.39Å; D141-T365 WeakPolarHBondContact O-CG2 3.39Å; A142-T365 CarbonylContact C-O 3.17Å; A142-T365 WeakPolarHBondContact CA-O 3.42Å; A142-T365 VanDerWaalsContact CB-O 3.28Å; A142-T365 WeakPolarHBondContact CB-O 3.33Å; V143-T365 PolarHBondContact N-O 3.46Å; K363-T365 HydrophobicContact CB-CG2 4.15Å; K363-T365 PolarHBondContact O-N 2.92Å
366	L	98.6	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.7	172.6	-174.1	148	0	0	0	110.7	V113 W125 V143 L338 V342 F357 P358 L361 I368	V113-L366 HydrophobicContact CG1-CD1 4.45Å; W125-L366 HydrophobicContact CD2-CD1 4.4Å; W125-L366 HydrophobicContact CE3-CD1 4.3Å; W125-L366 HydrophobicContact CH2-CB 4.2Å; W125-L366 HydrophobicContact CH2-CD1 3.67Å; W125-L366 HydrophobicContact CZ2-CB 3.54Å; W125-L366 HydrophobicContact CZ2-CD1 3.77Å; W125-L366 HydrophobicContact CZ2-CG 4.31Å; W125-L366 HydrophobicContact CZ3-CD1 3.93Å; V143-L366 HydrophobicContact CB-CD1 4.4Å; V143-L366 HydrophobicContact CB-CG 4.45Å; V143-L366 CarbonylContact O-C 3.56Å; V143-L366 VanDerWaalsContact O-CA 3.31Å; V143-L366 WeakPolarHBondContact O-CA 3.21Å; L338-L366 HydrophobicContact CD2-CD1 3.77Å; V342-L366 HydrophobicContact CG1-CD1 4.06Å; V342-L366 HydrophobicContact CG1-CD2 4.49Å; F357-L366 WeakPolarHBondContact CD1-O 3.43Å; P358-L366 WeakPolarHBondContact CD-O 2.95Å; P358-L366 HydrophobicContact CG-CD2 3.79Å; L361-L366 HydrophobicContact CD1-CB 4.09Å; L366-I368 HydrophobicContact CD2-CD1 3.74Å; L366-I368 HydrophobicContact CD2-CG1 4.35Å
367	A	98.6	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.1	-179.6	0	0	0	0	0	111.1	V143 M144 V145 I356 F357 I369 A389	V143-A367 PolarHBondContact O-N 3.13Å; M144-A367 CarbonylContact C-O 3.52Å; M144-A367 VanDerWaalsContact CA-O 3.3Å; M144-A367 WeakPolarHBondContact CA-O 3.19Å; M144-A367 HydrophobicContact CG-CB 4.44Å; V145-A367 PolarHBondContact N-O 2.86Å; I356-A367 HydrophobicContact CG2-CB 3.69Å; F357-A367 HydrophobicContact CD1-CB 4.32Å; F357-A367 HydrophobicContact CE1-CB 3.87Å; F357-A367 HydrophobicContact CZ-CB 4.4Å; A367-I369 HydrophobicContact CB-CD1 4.28Å; A367-A389 HydrophobicContact CB-CB 4.01Å
368	I	98.5	Very high	95.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.6	172.3	-49.4	-57.8	0	0	0	108.5	V145 F335 L338 V343 L352 I356 L366 L371	V145-I368 HydrophobicContact CB-CD1 3.58Å; V145-I368 HydrophobicContact CG1-CD1 4.18Å; V145-I368 HydrophobicContact CG2-CD1 3.75Å; F335-I368 HydrophobicContact CE1-CG2 4.35Å; F335-I368 HydrophobicContact CZ-CG2 3.98Å; L338-I368 HydrophobicContact CD1-CD1 4.19Å; V343-I368 HydrophobicContact CG2-CD1 4.33Å; L352-I368 HydrophobicContact CD1-CB 3.8Å; L352-I368 HydrophobicContact CD1-CG1 3.65Å; L352-I368 HydrophobicContact CD1-CG2 4.2Å; L352-I368 HydrophobicContact CD2-CG1 4.17Å; I356-I368 WeakPolarHBondContact CA-O 3.23Å; I356-I368 PolarHBondContact O-N 3.45Å; L366-I368 HydrophobicContact CD2-CD1 3.74Å; L366-I368 HydrophobicContact CD2-CG1 4.35Å; I368-L371 HydrophobicContact CG2-CB 3.71Å; I368-L371 HydrophobicContact CG2-CD2 4.26Å
369	I	98.6	Very high	95.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.145	C	C	.	.			trans	-114.4	128.4	-177.7	-49.4	-61.4	0	0	0	110	S13 M144 V145 I356 A367 G382 Q385 A389	S13-I369 PolarHBondContact OG-O 2.81Å; M144-I369 HydrophobicContact CE-CD1 3.98Å; M144-I369 HydrophobicContact CE-CG1 3.76Å; V145-I369 PolarHBondContact O-N 2.95Å; I356-I369 HydrophobicContact CG2-CD1 4.06Å; A367-I369 HydrophobicContact CB-CD1 4.28Å; I369-G382 WeakPolarHBondContact CG2-O 2.84Å; I369-Q385 HydrophobicContact CD1-CB 4.11Å; I369-Q385 HydrophobicContact CG2-CB 4.09Å; I369-A389 HydrophobicContact CD1-CB 3.8Å
370	G	96.3	Very high	95.7	Very high	2 Å²	2	28 Å²	28	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	85.6	14.4	178.4	0	0	0	0	0	115.1	F149 I372 M378	F149-G370 WeakPolarHBondContact CD1-O 3.3Å; F149-G370 WeakPolarHBondContact CE1-O 3.34Å; G370-I372 VanDerWaalsContact C-N 3.3Å; G370-I372 PolarHBondContact O-N 3.46Å; G370-M378 VanDerWaalsContact O-CE 3.28Å; G370-M378 WeakPolarHBondContact O-CE 3.37Å
371	L	95.6	Very high	95.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	12%	0.122	C	C	.	.			trans	-90.5	61.9	169.7	-169.9	69.6	0	0	0	111	F149 F333 F335 A350 L352 Y355 I368 L428	F149-L371 HydrophobicContact CB-CD1 3.82Å; F149-L371 HydrophobicContact CD1-CD1 4.1Å; F149-L371 HydrophobicContact CG-CD1 4.27Å; F333-L371 HydrophobicContact CD1-CD1 4.22Å; F333-L371 HydrophobicContact CD2-CD1 3.8Å; F333-L371 HydrophobicContact CE1-CD1 4.17Å; F333-L371 HydrophobicContact CE2-CD1 3.75Å; F333-L371 HydrophobicContact CE2-CD2 3.89Å; F333-L371 HydrophobicContact CE2-CG 4.39Å; F333-L371 HydrophobicContact CG-CD1 4.04Å; F333-L371 HydrophobicContact CZ-CD1 3.94Å; F333-L371 HydrophobicContact CZ-CD2 4.33Å; F335-L371 HydrophobicContact CE2-CD2 4.07Å; F335-L371 HydrophobicContact CZ-CD1 4.4Å; F335-L371 HydrophobicContact CZ-CD2 3.93Å; A350-L371 HydrophobicContact CB-CD2 3.59Å; L352-L371 HydrophobicContact CD1-CD2 3.88Å; Y355-L371 WeakPolarHBondContact CB-O 3.32Å; I368-L371 HydrophobicContact CG2-CB 3.71Å; I368-L371 HydrophobicContact CG2-CD2 4.26Å; L371-L428 HydrophobicContact CD1-CD1 3.89Å; L371-L428 HydrophobicContact CG-CD1 4Å; L371-L428 HydrophobicContact CG-CD2 4.29Å
372	I	93.8	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.			trans	-149.1	155.4	-179.5	-174	173	0	0	0	109.4	F149 Y355 G370 M378 T381 L428 Y435	F149-I372 WeakPolarHBondContact CE1-O 3.4Å; Y355-I372 HydrophobicContact CD2-CB 4.44Å; Y355-I372 HydrophobicContact CD2-CD1 3.64Å; Y355-I372 HydrophobicContact CD2-CG1 3.96Å; Y355-I372 HydrophobicContact CE2-CD1 4.08Å; Y355-I372 HydrophobicContact CE2-CG1 4.34Å; Y355-I372 HydrophobicContact CG-CB 4.43Å; Y355-I372 HydrophobicContact CG-CD1 4.44Å; Y355-I372 HydrophobicContact CG-CG1 4.38Å; G370-I372 VanDerWaalsContact C-N 3.3Å; G370-I372 PolarHBondContact O-N 3.46Å; I372-M378 HydrophobicContact CG2-CE 3.91Å; I372-M378 HydrophobicContact CG2-SD 4.14Å; I372-M378 WeakPolarHBondContact O-CE 3.44Å; I372-T381 HydrophobicContact CD1-CG2 4.44Å; I372-T381 HydrophobicContact CG2-CG2 3.67Å; I372-L428 WeakPolarHBondContact CG1-O 3.48Å; I372-Y435 HydrophobicContact CD1-CD1 3.75Å; I372-Y435 HydrophobicContact CD1-CD2 3.93Å; I372-Y435 HydrophobicContact CD1-CE1 3.57Å; I372-Y435 HydrophobicContact CD1-CE2 3.76Å; I372-Y435 HydrophobicContact CD1-CG 3.92Å
373	K	92	Very high	96.4	Very high	75 Å²	75	17 Å²	17	33%	0.326	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	74.5	174.3	-67.3	179.9	179.6	174.8	0	110.2	F149 L428 Q429 S430	F149-K373 HydrophobicContact CE2-CD 4.43Å; F149-K373 VanDerWaalsContact CE2-CE 3.4Å; F149-K373 HydrophobicContact CE2-CG 4.19Å; F149-K373 HydrophobicContact CZ-CG 3.83Å; K373-L428 HydrophobicContact CB-CB 4.36Å; K373-L428 HydrophobicContact CD-CB 4.46Å; K373-L428 HydrophobicContact CG-CB 4.17Å; K373-L428 PolarHBondContact N-O 3.36Å; K373-Q429 HydrophobicContact CB-CG 4.33Å; K373-Q429 VanDerWaalsContact O-CA 3.29Å; K373-Q429 WeakPolarHBondContact O-CA 3.38Å; K373-S430 PolarHBondContact O-N 2.97Å
374	P	91.5	Very high	96.5	Very high	16 Å²	16	13.4 Å²	13.4	10%	0.104	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	151.9	178.6	32.4	-34.2	0	0	0	110.3	G376 M378 T381 S430 Y432	P374-G376 PolarHBondContact O-N 2.93Å; P374-M378 WeakPolarHBondContact CD-SD 3.15Å; P374-M378 HydrophobicContact CG-SD 3.77Å; P374-T381 HydrophobicContact CG-CG2 4.2Å; P374-S430 CarbonylContact C-O 3.5Å; P374-S430 WeakPolarHBondContact CA-O 3.1Å; P374-Y432 HydrophobicContact CB-CD2 4.15Å
375	L	89.8	Confident	96.6	Very high	24 Å²	24	10.9 Å²	10.9	13%	0.126	6%	0.06	C	C	.	.	S	Bend	trans	-73.4	68.4	163	-174.8	62.9	0	0	0	109.1	F235 M236 F282 L422 Y424 S430 Y432	F235-L375 HydrophobicContact CE1-CD2 3.73Å; F235-L375 HydrophobicContact CE1-CG 4.44Å; F235-L375 HydrophobicContact CZ-CD2 4.32Å; M236-L375 WeakPolarHBondContact CE-O 3.48Å; F282-L375 HydrophobicContact CD2-CD1 4.36Å; L375-L422 HydrophobicContact CD2-CD1 4.27Å; L375-Y424 HydrophobicContact CB-CE1 4.24Å; L375-Y424 HydrophobicContact CD2-CE1 4.24Å; L375-S430 PolarHBondContact N-O 3.45Å; L375-Y432 VanDerWaalsContact O-CB 3.26Å; L375-Y432 WeakPolarHBondContact O-CB 3.17Å
376	G	92.8	Very high	96.6	Very high	16 Å²	16	10 Å²	10	17%	0.165	6%	0.055	C	C	.	.	S	Bend	trans	170.6	-176.1	-169.7	0	0	0	0	0	113	P374	P374-G376 PolarHBondContact O-N 2.93Å
377	S	96.6	Very high	96.6	Very high	13 Å²	13	10.4 Å²	10.4	9%	0.091	6%	0.056	C	C	.	.			trans	-75.3	137.9	179.6	-176.9	0	0	0	0	112.8	S67 I379 T381	S67-S377 WeakPolarHBondContact CA-OG 3.24Å; S67-S377 WeakPolarHBondContact CB-OG 3.19Å; S377-I379 VanDerWaalsContact C-N 3.32Å; S377-I379 PolarHBondContact O-N 3.43Å; S377-I379 PolarHBondContact OG-N 3.47Å; S377-T381 PolarHBondContact O-OG1 3.46Å; S377-T381 VanDerWaalsContact O-OG1 3.09Å
378	M	96.6	Very high	96.6	Very high	57 Å²	57	10.7 Å²	10.7	28%	0.281	6%	0.057	S	C	.	.	H	α-helix	trans	-69.3	-23.4	174.5	-76.2	-60.2	-65.7	0	0	114.3	F149 G370 I372 P374 G382	F149-M378 HydrophobicContact CE1-CE 4.49Å; G370-M378 VanDerWaalsContact O-CE 3.28Å; G370-M378 WeakPolarHBondContact O-CE 3.37Å; I372-M378 HydrophobicContact CG2-CE 3.91Å; I372-M378 HydrophobicContact CG2-SD 4.14Å; I372-M378 WeakPolarHBondContact O-CE 3.44Å; P374-M378 WeakPolarHBondContact CD-SD 3.15Å; P374-M378 HydrophobicContact CG-SD 3.77Å; M378-G382 PolarHBondContact O-N 2.99Å
379	I	98.3	Very high	96.6	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-62.4	-178	-61.3	-121.7	0	0	0	111.1	V12 S67 C68 Y69 F87 L91 S377 T381 G382 E383	V12-I379 HydrophobicContact CB-CD1 4.38Å; V12-I379 HydrophobicContact CG1-CB 4.14Å; V12-I379 HydrophobicContact CG1-CD1 3.58Å; V12-I379 HydrophobicContact CG1-CG1 3.71Å; V12-I379 HydrophobicContact CG1-CG2 4.45Å; V12-I379 HydrophobicContact CG2-CD1 3.84Å; V12-I379 HydrophobicContact CG2-CG1 4.48Å; S67-I379 VanDerWaalsContact O-CB 3.27Å; S67-I379 WeakPolarHBondContact O-CB 3.49Å; S67-I379 WeakPolarHBondContact O-CG1 3.5Å; S67-I379 WeakPolarHBondContact O-CG2 3.35Å; C68-I379 VanDerWaalsContact C-CG2 3.47Å; Y69-I379 HydrophobicContact CD1-CG2 3.64Å; Y69-I379 HydrophobicContact CD2-CG2 4.21Å; Y69-I379 HydrophobicContact CE1-CG2 3.75Å; Y69-I379 HydrophobicContact CE2-CG2 4.33Å; Y69-I379 HydrophobicContact CG-CG2 3.89Å; F87-I379 HydrophobicContact CE1-CD1 3.33Å; F87-I379 HydrophobicContact CE1-CG1 4.31Å; F87-I379 HydrophobicContact CZ-CD1 3.36Å; F87-I379 HydrophobicContact CZ-CG1 3.89Å; L91-I379 HydrophobicContact CD2-CD1 4.14Å; S377-I379 VanDerWaalsContact C-N 3.32Å; S377-I379 PolarHBondContact O-N 3.43Å; S377-I379 PolarHBondContact OG-N 3.47Å; I379-T381 VanDerWaalsContact C-N 3.25Å; I379-T381 PolarHBondContact O-N 3.46Å; I379-G382 PolarHBondContact O-N 2.95Å; I379-E383 WeakPolarHBondContact O-CB 3.17Å; I379-E383 PolarHBondContact O-N 3.38Å
380	P	98.6	Very high	96.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65	-29.8	178.7	24.7	-35.5	0	0	0	112.8	T384 Y432 P470 F473	P380-T384 VanDerWaalsContact O-CB 3.26Å; P380-T384 WeakPolarHBondContact O-CB 3.43Å; P380-T384 PolarHBondContact O-N 2.88Å; P380-T384 PolarHBondContact O-OG1 3.23Å; P380-Y432 WeakPolarHBondContact CB-OH 3.42Å; P380-Y432 HydrophobicContact CG-CE2 3.95Å; P380-Y432 WeakPolarHBondContact CG-OH 3.26Å; P380-P470 HydrophobicContact CB-CB 3.88Å; P380-P470 HydrophobicContact CB-CG 3.69Å; P380-P470 HydrophobicContact CG-CG 3.85Å; P380-F473 HydrophobicContact CB-CD2 4.46Å; P380-F473 HydrophobicContact CB-CE2 3.99Å
381	T	98.6	Very high	96.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.4	-51.8	174.2	-58.3	0	0	0	0	111.6	I372 P374 S377 I379 E383 T384 Q385 Y432 Y435	I372-T381 HydrophobicContact CD1-CG2 4.44Å; I372-T381 HydrophobicContact CG2-CG2 3.67Å; P374-T381 HydrophobicContact CG-CG2 4.2Å; S377-T381 PolarHBondContact O-OG1 3.46Å; S377-T381 VanDerWaalsContact O-OG1 3.09Å; I379-T381 VanDerWaalsContact C-N 3.25Å; I379-T381 PolarHBondContact O-N 3.46Å; T381-E383 VanDerWaalsContact C-N 3.32Å; T381-E383 PolarHBondContact O-N 2.91Å; T381-T384 PolarHBondContact O-N 3.21Å; T381-Q385 WeakPolarHBondContact O-CB 3.35Å; T381-Q385 VanDerWaalsContact O-CG 3.28Å; T381-Q385 WeakPolarHBondContact O-CG 3.41Å; T381-Q385 PolarHBondContact O-N 3.12Å; T381-Y432 WeakPolarHBondContact OG1-CD2 3.3Å; T381-Y432 WeakPolarHBondContact OG1-CE2 3.33Å; T381-Y435 HydrophobicContact CG2-CD1 3.99Å; T381-Y435 HydrophobicContact CG2-CE1 3.78Å
382	G	98.6	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-38.5	177.2	0	0	0	0	0	112.5	I369 M378 I379 A386	I369-G382 WeakPolarHBondContact CG2-O 2.84Å; M378-G382 PolarHBondContact O-N 2.99Å; I379-G382 PolarHBondContact O-N 2.95Å; G382-A386 WeakPolarHBondContact O-CB 3.33Å; G382-A386 PolarHBondContact O-N 3.07Å
383	E	98.9	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.2	-47.6	173.4	-166.6	-152.3	173.5	0	0	112.1	A16 Y69 S70 I379 T381 Q385 A386 R387 R474	A16-E383 HydrophobicContact CB-CB 4.24Å; A16-E383 HydrophobicContact CB-CG 4.42Å; Y69-E383 HydrophobicContact CD1-CB 3.92Å; Y69-E383 HydrophobicContact CD1-CG 3.98Å; Y69-E383 HydrophobicContact CE1-CB 4.3Å; S70-E383 VanDerWaalsContact CB-OE2 3.25Å; S70-E383 WeakPolarHBondContact CB-OE2 3.43Å; S70-E383 PolarHBondContact N-OE2 3.28Å; S70-E383 PolarHBondContact OG-OE1 2.82Å; S70-E383 PolarHBondContact OG-OE2 2.94Å; I379-E383 WeakPolarHBondContact O-CB 3.17Å; I379-E383 PolarHBondContact O-N 3.38Å; T381-E383 VanDerWaalsContact C-N 3.32Å; T381-E383 PolarHBondContact O-N 2.91Å; E383-Q385 VanDerWaalsContact C-N 3.33Å; E383-Q385 PolarHBondContact O-N 3.03Å; E383-A386 WeakPolarHBondContact O-CB 3.27Å; E383-A386 PolarHBondContact O-N 2.85Å; E383-A386 VanDerWaalsContact O-N 3.13Å; E383-R387 WeakPolarHBondContact O-CG 3.26Å; E383-R387 PolarHBondContact O-N 2.82Å; E383-R474 IonicContact OE1-CZ 3.44Å; E383-R474 IonicContact OE1-NE 2.77Å; E383-R474 PolarHBondContact OE1-NE 3.45Å; E383-R474 VanDerWaalsContact OE1-NE 3.11Å; E383-R474 IonicContact OE1-NH2 3.74Å; E383-R474 PolarHBondContact OE1-NH2 3.35Å
384	T	98.8	Very high	97.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67	-37.4	-179.1	-57.7	0	0	0	0	111.3	P380 T381 R387 W388 I436 L439 L440	P380-T384 VanDerWaalsContact O-CB 3.26Å; P380-T384 WeakPolarHBondContact O-CB 3.43Å; P380-T384 PolarHBondContact O-N 2.88Å; P380-T384 PolarHBondContact O-OG1 3.23Å; T381-T384 PolarHBondContact O-N 3.21Å; T384-R387 PolarHBondContact O-N 3.32Å; T384-W388 PolarHBondContact O-N 2.99Å; T384-I436 HydrophobicContact CG2-CD1 4.07Å; T384-I436 HydrophobicContact CG2-CG2 4.38Å; T384-L439 HydrophobicContact CG2-CB 3.72Å; T384-L439 HydrophobicContact CG2-CD1 4.13Å; T384-L440 HydrophobicContact CG2-CD2 3.96Å; T384-L440 HydrophobicContact CG2-CG 4.16Å
385	Q	98.8	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56	-50.5	168.5	-77.1	-173.8	-29.8	0	0	110.9	I356 I369 T381 E383 R387 W388 A389 Y435 L439	I356-Q385 HydrophobicContact CD1-CB 3.76Å; I356-Q385 HydrophobicContact CD1-CG 3.65Å; I356-Q385 HydrophobicContact CG1-CB 4.37Å; I356-Q385 HydrophobicContact CG1-CG 4.07Å; I369-Q385 HydrophobicContact CD1-CB 4.11Å; I369-Q385 HydrophobicContact CG2-CB 4.09Å; T381-Q385 WeakPolarHBondContact O-CB 3.35Å; T381-Q385 VanDerWaalsContact O-CG 3.28Å; T381-Q385 WeakPolarHBondContact O-CG 3.41Å; T381-Q385 PolarHBondContact O-N 3.12Å; E383-Q385 VanDerWaalsContact C-N 3.33Å; E383-Q385 PolarHBondContact O-N 3.03Å; Q385-R387 PolarHBondContact O-N 2.84Å; Q385-W388 PolarHBondContact O-N 3.18Å; Q385-A389 WeakPolarHBondContact O-CB 3.27Å; Q385-A389 PolarHBondContact O-N 2.83Å; Q385-Y435 HydrophobicContact CG-CE1 3.96Å; Q385-Y435 WeakPolarHBondContact CG-OH 3.39Å; Q385-Y435 PolarHBondContact NE2-OH 2.6Å; Q385-L439 HydrophobicContact CB-CD1 4.49Å; Q385-L439 HydrophobicContact CG-CD1 3.93Å
386	A	98.9	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-44.4	179.7	0	0	0	0	0	112	A16 C20 M144 G382 E383 W388 A389 V390	A16-A386 HydrophobicContact CB-CB 4.45Å; C20-A386 HydrophobicContact CB-CB 4.08Å; M144-A386 HydrophobicContact CE-CB 4.11Å; G382-A386 WeakPolarHBondContact O-CB 3.33Å; G382-A386 PolarHBondContact O-N 3.07Å; E383-A386 WeakPolarHBondContact O-CB 3.27Å; E383-A386 PolarHBondContact O-N 2.85Å; E383-A386 VanDerWaalsContact O-N 3.13Å; A386-W388 PolarHBondContact O-N 3.31Å; A386-A389 PolarHBondContact O-N 3.43Å; A386-A389 VanDerWaalsContact O-N 3.14Å; A386-V390 WeakPolarHBondContact O-CG1 3.42Å; A386-V390 WeakPolarHBondContact O-CG2 3.46Å; A386-V390 PolarHBondContact O-N 2.64Å
387	R	98.8	Very high	98.1	Very high	8 Å²	8	16 Å²	16	3%	0.03	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-45.6	177.9	-73.2	179.2	71.5	-162	-1.6	112.7	C20 E383 T384 Q385 R391 I443 F473 P478	C20-R387 VanDerWaalsContact SG-CG 3.55Å; E383-R387 WeakPolarHBondContact O-CG 3.26Å; E383-R387 PolarHBondContact O-N 2.82Å; T384-R387 PolarHBondContact O-N 3.32Å; Q385-R387 PolarHBondContact O-N 2.84Å; R387-R391 WeakPolarHBondContact O-CD 3.43Å; R387-R391 WeakPolarHBondContact O-CG 3.27Å; R387-I443 HydrophobicContact CB-CD1 4.02Å; R387-F473 PolarHBondContact NH1-O 3.2Å; R387-P478 PolarHBondContact NH2-O 3.3Å
388	W	98.8	Very high	98.1	Very high	6 Å²	6	24.2 Å²	24.2	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-69.9	-44.2	174.4	176.3	49.8	0	0	0	111.4	Y353 K354 I356 F357 T384 Q385 A386 V390 R391 V392 L399 L439 Y442 I443	Y353-W388 AromaticContact CD1-CH2 3.89Å; Y353-W388 HydrophobicContact CD1-CH2 3.89Å; Y353-W388 AromaticContact CE1-CH2 3.7Å; Y353-W388 HydrophobicContact CE1-CH2 3.7Å; Y353-W388 HydrophobicContact CE1-CZ2 4.18Å; K354-W388 HydrophobicContact CB-CH2 4.17Å; K354-W388 HydrophobicContact CB-CZ3 3.8Å; K354-W388 HydrophobicContact CG-CH2 3.78Å; K354-W388 HydrophobicContact CG-CZ3 3.88Å; I356-W388 HydrophobicContact CD1-CE3 3.53Å; I356-W388 HydrophobicContact CD1-CZ3 3.64Å; F357-W388 AromaticContact CD2-CH2 3.85Å; F357-W388 HydrophobicContact CD2-CH2 3.85Å; F357-W388 HydrophobicContact CD2-CZ2 4.49Å; F357-W388 AromaticContact CD2-CZ3 3.94Å; F357-W388 HydrophobicContact CD2-CZ3 3.94Å; F357-W388 HydrophobicContact CE2-CD2 4.34Å; F357-W388 AromaticContact CE2-CE3 3.99Å; F357-W388 HydrophobicContact CE2-CE3 3.99Å; F357-W388 AromaticContact CE2-CH2 3.78Å; F357-W388 HydrophobicContact CE2-CH2 3.78Å; F357-W388 HydrophobicContact CE2-CZ2 4.12Å; F357-W388 AromaticContact CE2-CZ3 3.71Å; F357-W388 HydrophobicContact CE2-CZ3 3.71Å; T384-W388 PolarHBondContact O-N 2.99Å; Q385-W388 PolarHBondContact O-N 3.18Å; A386-W388 PolarHBondContact O-N 3.31Å; W388-V390 PolarHBondContact O-N 2.86Å; W388-R391 PolarHBondContact O-N 3.02Å; W388-V392 HydrophobicContact CZ2-CG2 4.44Å; W388-V392 PolarHBondContact O-N 3.28Å; W388-V392 VanDerWaalsContact O-N 3.11Å; W388-L399 HydrophobicContact CH2-CD2 3.92Å; W388-L399 HydrophobicContact CZ2-CD2 3.49Å; W388-L399 VanDerWaalsContact CZ2-CD2 3.49Å; W388-L439 HydrophobicContact CD2-CD2 3.99Å; W388-L439 HydrophobicContact CE3-CD2 3.37Å; W388-L439 HydrophobicContact CZ3-CD2 3.71Å; W388-Y442 HydrophobicContact CD2-CD2 4.06Å; W388-Y442 AromaticContact CE2-CD2 3.57Å; W388-Y442 HydrophobicContact CH2-CD2 4.25Å; W388-Y442 HydrophobicContact CH2-CE2 4.22Å; W388-Y442 AromaticContact CZ2-CD2 3.67Å; W388-Y442 HydrophobicContact CZ2-CD2 3.67Å; W388-Y442 AromaticContact CZ2-CE2 3.95Å; W388-Y442 HydrophobicContact CZ2-CE2 3.95Å; W388-Y442 AromaticContact NE1-CD2 3.79Å; W388-I443 HydrophobicContact CB-CG2 3.88Å; W388-I443 HydrophobicContact CG-CG2 4.24Å
389	A	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.8	-52.1	-176	0	0	0	0	0	112.5	M144 I356 F357 A367 I369 Q385 A386 R391 V392 L393	M144-A389 HydrophobicContact CE-CB 4.13Å; I356-A389 HydrophobicContact CG2-CB 4.28Å; F357-A389 HydrophobicContact CZ-CB 4.13Å; A367-A389 HydrophobicContact CB-CB 4.01Å; I369-A389 HydrophobicContact CD1-CB 3.8Å; Q385-A389 WeakPolarHBondContact O-CB 3.27Å; Q385-A389 PolarHBondContact O-N 2.83Å; A386-A389 PolarHBondContact O-N 3.43Å; A386-A389 VanDerWaalsContact O-N 3.14Å; A389-R391 PolarHBondContact O-N 3.4Å; A389-V392 WeakPolarHBondContact O-CA 3.26Å; A389-V392 WeakPolarHBondContact O-CB 3.49Å; A389-V392 PolarHBondContact O-N 3.12Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.14Å
390	V	98.7	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-31.9	-178.8	-62.2	0	0	0	0	112.5	C20 E24 L26 M144 A386 W388 L393 K394	C20-V390 HydrophobicContact CB-CG1 4Å; C20-V390 HydrophobicContact CB-CG2 3.97Å; E24-V390 HydrophobicContact CB-CG2 4.25Å; E24-V390 HydrophobicContact CG-CG2 3.78Å; L26-V390 HydrophobicContact CD1-CB 4.13Å; M144-V390 HydrophobicContact CE-CG1 3.88Å; M144-V390 HydrophobicContact SD-CG1 3.69Å; A386-V390 WeakPolarHBondContact O-CG1 3.42Å; A386-V390 WeakPolarHBondContact O-CG2 3.46Å; A386-V390 PolarHBondContact O-N 2.64Å; W388-V390 PolarHBondContact O-N 2.86Å; V390-L393 PolarHBondContact O-N 2.89Å; V390-K394 VanDerWaalsContact O-CB 3.25Å; V390-K394 WeakPolarHBondContact O-CB 3.4Å; V390-K394 PolarHBondContact O-N 2.89Å
391	R	98.5	Very high	98	Very high	27 Å²	27	28.7 Å²	28.7	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-74.9	-28	177.6	-66.1	175.4	64.6	93.1	-1.5	112.4	E24 R387 W388 A389 G395 V396 N397 P478	E24-R391 HydrophobicContact CG-CG 4.05Å; E24-R391 WeakPolarHBondContact OE1-CD 3.12Å; E24-R391 WeakPolarHBondContact OE1-CG 3.37Å; E24-R391 IonicContact OE1-CZ 3.99Å; E24-R391 IonicContact OE1-NE 2.76Å; E24-R391 IonicContact OE1-NH1 3.17Å; E24-R391 PolarHBondContact OE1-NH1 3.35Å; E24-R391 IonicContact OE2-NH1 2.93Å; R387-R391 WeakPolarHBondContact O-CD 3.43Å; R387-R391 WeakPolarHBondContact O-CG 3.27Å; W388-R391 PolarHBondContact O-N 3.02Å; A389-R391 PolarHBondContact O-N 3.4Å; R391-G395 PolarHBondContact O-N 3.27Å; R391-V396 HydrophobicContact CB-CB 4.47Å; R391-V396 VanDerWaalsContact NH2-CG1 3.35Å; R391-V396 PolarHBondContact O-N 3.44Å; R391-N397 HydrophobicContact CB-CB 4.26Å; R391-N397 WeakPolarHBondContact CB-OD1 3.32Å; R391-N397 PolarHBondContact NE-OD1 2.97Å; R391-N397 PolarHBondContact O-N 3.06Å; R391-P478 VanDerWaalsContact NH1-CG 3.3Å
392	V	98.5	Very high	97.9	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-47.1	167.1	178.3	0	0	0	0	110.6	F357 P364 W388 A389 K394 G395 N397 L399	F357-V392 HydrophobicContact CE1-CB 4.3Å; F357-V392 HydrophobicContact CE1-CG1 4.04Å; F357-V392 HydrophobicContact CE2-CB 4.4Å; F357-V392 HydrophobicContact CE2-CG1 4.5Å; F357-V392 HydrophobicContact CE2-CG2 4.13Å; F357-V392 HydrophobicContact CZ-CB 3.68Å; F357-V392 HydrophobicContact CZ-CG1 3.81Å; F357-V392 HydrophobicContact CZ-CG2 3.9Å; P364-V392 HydrophobicContact CB-CG1 4.04Å; P364-V392 HydrophobicContact CG-CG1 4.17Å; W388-V392 HydrophobicContact CZ2-CG2 4.44Å; W388-V392 PolarHBondContact O-N 3.28Å; W388-V392 VanDerWaalsContact O-N 3.11Å; A389-V392 WeakPolarHBondContact O-CA 3.26Å; A389-V392 WeakPolarHBondContact O-CB 3.49Å; A389-V392 PolarHBondContact O-N 3.12Å; V392-K394 VanDerWaalsContact C-N 3.27Å; V392-K394 PolarHBondContact O-N 3.48Å; V392-G395 WeakPolarHBondContact O-CA 3.44Å; V392-G395 PolarHBondContact O-N 3.27Å; V392-N397 WeakPolarHBondContact CA-O 3.49Å; V392-N397 HydrophobicContact CG2-CB 4.02Å; V392-L399 HydrophobicContact CG1-CD1 4.29Å; V392-L399 HydrophobicContact CG1-CD2 4.09Å; V392-L399 HydrophobicContact CG1-CG 3.82Å; V392-L399 HydrophobicContact CG2-CD2 4.01Å
393	L	98.1	Very high	97.8	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-39.5	178.2	-60.3	-178.4	0	0	0	112.1	A2 V5 A142 M144 P364 A389 V390 G395	A2-L393 HydrophobicContact CB-CB 4.46Å; A2-L393 WeakPolarHBondContact CB-O 3.41Å; V5-L393 HydrophobicContact CG1-CD1 4.27Å; A142-L393 HydrophobicContact CB-CB 4.28Å; A142-L393 HydrophobicContact CB-CD1 3.83Å; A142-L393 HydrophobicContact CB-CD2 3.78Å; A142-L393 HydrophobicContact CB-CG 4.16Å; M144-L393 HydrophobicContact CG-CD1 3.77Å; M144-L393 HydrophobicContact SD-CD1 3.99Å; P364-L393 VanDerWaalsContact O-CD2 3.29Å; P364-L393 WeakPolarHBondContact O-CD2 3.29Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.14Å; V390-L393 PolarHBondContact O-N 2.89Å; L393-G395 PolarHBondContact O-N 3.3Å
394	K	97.1	Very high	97.7	Very high	61 Å²	61	39 Å²	39	27%	0.265	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	174.6	-169.8	173.9	169.7	-179.3	0	113.1	E24 L26 V390 V392 V396	E24-K394 HydrophobicContact CB-CD 4.22Å; E24-K394 WeakPolarHBondContact O-CE 3.42Å; E24-K394 PolarHBondContact O-NZ 2.84Å; E24-K394 IonicContact OE2-NZ 3.4Å; E24-K394 PolarHBondContact OE2-NZ 3.2Å; L26-K394 HydrophobicContact CD2-CB 4.36Å; L26-K394 HydrophobicContact CD2-CD 4.45Å; L26-K394 HydrophobicContact CD2-CG 4.3Å; V390-K394 VanDerWaalsContact O-CB 3.25Å; V390-K394 WeakPolarHBondContact O-CB 3.4Å; V390-K394 PolarHBondContact O-N 2.89Å; V392-K394 VanDerWaalsContact C-N 3.27Å; V392-K394 PolarHBondContact O-N 3.48Å; K394-V396 HydrophobicContact CB-CG2 4.34Å; K394-V396 HydrophobicContact CD-CG2 3.94Å; K394-V396 HydrophobicContact CG-CG2 3.95Å
395	G	96.3	Very high	97.5	Very high	46 Å²	46	39.4 Å²	39.4	47%	0.474	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	9.2	-179.1	0	0	0	0	0	114.9	R391 V392 L393	R391-G395 PolarHBondContact O-N 3.27Å; V392-G395 WeakPolarHBondContact O-CA 3.44Å; V392-G395 PolarHBondContact O-N 3.27Å; L393-G395 PolarHBondContact O-N 3.3Å
396	V	97.2	Very high	97.3	Very high	75 Å²	75	42.8 Å²	42.8	46%	0.455	25%	0.245	S	C	.	.	S	Bend	trans	-72.5	-41.4	175.5	177.4	0	0	0	0	110.4	R391 K394	R391-V396 HydrophobicContact CB-CB 4.47Å; R391-V396 VanDerWaalsContact NH2-CG1 3.35Å; R391-V396 PolarHBondContact O-N 3.44Å; K394-V396 HydrophobicContact CB-CG2 4.34Å; K394-V396 HydrophobicContact CD-CG2 3.94Å; K394-V396 HydrophobicContact CG-CG2 3.95Å
397	N	97.6	Very high	97	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.134	28%	0.276	C	S	.	.	S	Bend	trans	-104.5	144	172.7	-73.8	109.6	0	0	0	109.8	R391 V392 Y442	R391-N397 HydrophobicContact CB-CB 4.26Å; R391-N397 WeakPolarHBondContact CB-OD1 3.32Å; R391-N397 PolarHBondContact NE-OD1 2.97Å; R391-N397 PolarHBondContact O-N 3.06Å; V392-N397 WeakPolarHBondContact CA-O 3.49Å; V392-N397 HydrophobicContact CG2-CB 4.02Å; N397-Y442 PolarHBondContact ND2-O 2.82Å
398	K	96.6	Very high	96.7	Very high	185 Å²	185	51.2 Å²	51.2	80%	0.804	29%	0.285	S	S	*	.			trans	-114.6	141.2	179.3	-64	-174.1	-179.1	-179.6	0	110.1
399	L	97.6	Very high	96.3	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.173	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-75.9	152.7	168.9	-60.8	-175.2	0	0	0	110	Y353 F357 P364 W388 V392 M405	Y353-L399 HydrophobicContact CD1-CD2 4.32Å; Y353-L399 HydrophobicContact CE1-CD2 4.36Å; F357-L399 HydrophobicContact CB-CD1 3.92Å; F357-L399 HydrophobicContact CD1-CD1 4.06Å; F357-L399 HydrophobicContact CD2-CD1 3.99Å; F357-L399 HydrophobicContact CD2-CD2 3.79Å; F357-L399 HydrophobicContact CE2-CD2 3.87Å; F357-L399 HydrophobicContact CG-CD1 3.72Å; F357-L399 HydrophobicContact CG-CD2 4.39Å; P364-L399 HydrophobicContact CB-CD1 3.59Å; P364-L399 HydrophobicContact CB-CG 4.28Å; W388-L399 HydrophobicContact CH2-CD2 3.92Å; W388-L399 HydrophobicContact CZ2-CD2 3.49Å; W388-L399 VanDerWaalsContact CZ2-CD2 3.49Å; V392-L399 HydrophobicContact CG1-CD1 4.29Å; V392-L399 HydrophobicContact CG1-CD2 4.09Å; V392-L399 HydrophobicContact CG1-CG 3.82Å; V392-L399 HydrophobicContact CG2-CD2 4.01Å; L399-M405 HydrophobicContact CB-CE 4.46Å; L399-M405 HydrophobicContact CB-SD 3.98Å; L399-M405 HydrophobicContact CD1-CE 4.49Å; L399-M405 HydrophobicContact CD1-SD 3.98Å; L399-M405 HydrophobicContact CG-SD 4.48Å
400	P	97.1	Very high	95.9	Very high	43 Å²	43	55 Å²	55	28%	0.279	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-66.8	169.8	169.4	28.6	-32	0	0	0	111.2	Y353 V404 M405	Y353-P400 HydrophobicContact CE1-CG 4.18Å; Y353-P400 HydrophobicContact CE2-CG 4.39Å; P400-V404 HydrophobicContact CB-CB 4.28Å; P400-V404 HydrophobicContact CB-CG1 4.23Å; P400-M405 HydrophobicContact CG-CG 3.72Å; P400-M405 WeakPolarHBondContact O-CE 3.41Å
401	P	96.7	Very high	95.4	Very high	78 Å²	78	57.7 Å²	57.7	51%	0.506	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-56.1	149.8	177	-25.5	35.1	0	0	0	112.9	S403 V404 M405	P401-S403 PolarHBondContact O-N 3.48Å; P401-S403 VanDerWaalsContact O-N 3.16Å; P401-V404 HydrophobicContact CB-CG2 4.5Å; P401-V404 PolarHBondContact O-N 3.37Å; P401-M405 PolarHBondContact O-N 3.14Å
402	P	95.3	Very high	94.7	Very high	68 Å²	68	59.4 Å²	59.4	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-52.5	-37.7	179.7	-30.7	37	0	0	0	114.7	A359 V404 M405 I406	A359-P402 WeakPolarHBondContact O-CB 3.31Å; P402-V404 PolarHBondContact O-N 3.43Å; P402-M405 HydrophobicContact CB-CE 4.49Å; P402-M405 HydrophobicContact CG-CE 4.42Å; P402-M405 PolarHBondContact O-N 3.35Å; P402-I406 WeakPolarHBondContact O-CB 3.46Å; P402-I406 WeakPolarHBondContact O-CD1 3.49Å; P402-I406 WeakPolarHBondContact O-CG1 3.35Å; P402-I406 PolarHBondContact O-N 3.11Å
403	S	95.9	Very high	93.9	Very high	84 Å²	84	63.1 Å²	63.1	59%	0.587	35%	0.348	S	S	*	.	H	α-helix	trans	-58.2	-45.8	177.5	50.4	0	0	0	0	112.5	P401 I406 E407	P401-S403 PolarHBondContact O-N 3.48Å; P401-S403 VanDerWaalsContact O-N 3.16Å; S403-I406 PolarHBondContact O-N 2.96Å; S403-E407 WeakPolarHBondContact O-CB 3.2Å; S403-E407 PolarHBondContact O-N 3.2Å
404	V	96.7	Very high	93.1	Very high	64 Å²	64	68 Å²	68	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-41.8	178.6	-179.8	0	0	0	0	110.7	P400 P401 P402 E408	P400-V404 HydrophobicContact CB-CB 4.28Å; P400-V404 HydrophobicContact CB-CG1 4.23Å; P401-V404 HydrophobicContact CB-CG2 4.5Å; P401-V404 PolarHBondContact O-N 3.37Å; P402-V404 PolarHBondContact O-N 3.43Å; V404-E408 WeakPolarHBondContact O-CB 3.44Å; V404-E408 PolarHBondContact O-N 2.96Å; V404-E408 VanDerWaalsContact O-N 3.11Å
405	M	96.2	Very high	92	Very high	9 Å²	9	68.5 Å²	68.5	4%	0.044	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-44.6	177.2	-67.6	-167.5	-72	0	0	111.9	Y353 A359 L399 P400 P401 P402 E408 I409	Y353-M405 HydrophobicContact CD1-CG 4.02Å; Y353-M405 HydrophobicContact CD1-SD 3.72Å; Y353-M405 HydrophobicContact CD2-CB 3.67Å; Y353-M405 HydrophobicContact CD2-CG 3.59Å; Y353-M405 HydrophobicContact CD2-SD 4.28Å; Y353-M405 HydrophobicContact CE1-CG 4.3Å; Y353-M405 HydrophobicContact CE1-SD 4.33Å; Y353-M405 HydrophobicContact CE2-CB 4.27Å; Y353-M405 HydrophobicContact CE2-CG 3.89Å; Y353-M405 HydrophobicContact CG-CB 3.97Å; Y353-M405 HydrophobicContact CG-CG 3.66Å; Y353-M405 HydrophobicContact CG-SD 3.7Å; A359-M405 HydrophobicContact CB-CB 3.62Å; A359-M405 HydrophobicContact CB-CE 4.1Å; A359-M405 HydrophobicContact CB-SD 4.36Å; A359-M405 WeakPolarHBondContact O-CE 3.36Å; L399-M405 HydrophobicContact CB-CE 4.46Å; L399-M405 HydrophobicContact CB-SD 3.98Å; L399-M405 HydrophobicContact CD1-CE 4.49Å; L399-M405 HydrophobicContact CD1-SD 3.98Å; L399-M405 HydrophobicContact CG-SD 4.48Å; P400-M405 HydrophobicContact CG-CG 3.72Å; P400-M405 WeakPolarHBondContact O-CE 3.41Å; P401-M405 PolarHBondContact O-N 3.14Å; P402-M405 HydrophobicContact CB-CE 4.49Å; P402-M405 HydrophobicContact CG-CE 4.42Å; P402-M405 PolarHBondContact O-N 3.35Å; M405-E408 PolarHBondContact O-N 3.03Å; M405-I409 WeakPolarHBondContact O-CD1 3.28Å; M405-I409 WeakPolarHBondContact O-CG1 3.41Å; M405-I409 PolarHBondContact O-N 3.07Å
406	I	93.9	Very high	90.6	Very high	71 Å²	71	73.5 Å²	73.5	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-42.7	-179.6	-69.4	164.8	0	0	0	110.9	A359 P402 S403 E408 I409 N410	A359-I406 HydrophobicContact CB-CG1 3.96Å; P402-I406 WeakPolarHBondContact O-CB 3.46Å; P402-I406 WeakPolarHBondContact O-CD1 3.49Å; P402-I406 WeakPolarHBondContact O-CG1 3.35Å; P402-I406 PolarHBondContact O-N 3.11Å; S403-I406 PolarHBondContact O-N 2.96Å; I406-E408 VanDerWaalsContact C-N 3.32Å; I406-E408 PolarHBondContact O-N 3.02Å; I406-I409 PolarHBondContact O-N 3.39Å; I406-N410 WeakPolarHBondContact O-CB 3.26Å; I406-N410 VanDerWaalsContact O-CG 3.23Å; I406-N410 PolarHBondContact O-N 3.28Å; I406-N410 PolarHBondContact O-ND2 3.36Å
407	E	93.6	Very high	89.2	Confident	138 Å²	138	74 Å²	74	65%	0.645	39%	0.39	S	S	*	.	H	α-helix	trans	-57.2	-46.7	174.8	-176	179.3	-178.9	0	0	111.2	S403 I409 N410 A411	S403-E407 WeakPolarHBondContact O-CB 3.2Å; S403-E407 PolarHBondContact O-N 3.2Å; E407-I409 PolarHBondContact O-N 3.32Å; E407-N410 PolarHBondContact O-N 3.46Å; E407-A411 WeakPolarHBondContact O-CB 3.48Å; E407-A411 PolarHBondContact O-N 2.95Å
408	E	91.6	Very high	87.7	Confident	48 Å²	48	76 Å²	76	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-67	-36.9	179	-160.3	-169.7	113.9	0	0	112.6	Y353 K354 V404 M405 I406 R412	Y353-E408 HydrophobicContact CE2-CB 4.43Å; Y353-E408 WeakPolarHBondContact CE2-OE1 3.28Å; Y353-E408 WeakPolarHBondContact CE2-OE2 3.26Å; K354-E408 WeakPolarHBondContact CD-OE1 3.4Å; K354-E408 WeakPolarHBondContact CE-OE1 3.11Å; K354-E408 VanDerWaalsContact NZ-CD 3.33Å; K354-E408 IonicContact NZ-OE1 2.87Å; K354-E408 PolarHBondContact NZ-OE1 2.86Å; K354-E408 IonicContact NZ-OE2 3.96Å; K354-E408 PolarHBondContact NZ-OE2 3.41Å; V404-E408 WeakPolarHBondContact O-CB 3.44Å; V404-E408 PolarHBondContact O-N 2.96Å; V404-E408 VanDerWaalsContact O-N 3.11Å; M405-E408 PolarHBondContact O-N 3.03Å; I406-E408 VanDerWaalsContact C-N 3.32Å; I406-E408 PolarHBondContact O-N 3.02Å; E408-R412 WeakPolarHBondContact O-CG 3.44Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 VanDerWaalsContact O-N 3.14Å; E408-R412 IonicContact OE1-CZ 2.61Å; E408-R412 IonicContact OE1-NH1 3.82Å; E408-R412 PolarHBondContact OE1-NH1 3.3Å; E408-R412 IonicContact OE1-NH2 3.44Å; E408-R412 PolarHBondContact OE1-NH2 3.32Å
409	I	90.8	Very high	86.5	Confident	7 Å²	7	77.5 Å²	77.5	4%	0.036	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-46.9	173.9	-70.4	161.6	0	0	0	110.2	A359 M405 I406 E407 R412 R413	A359-I409 HydrophobicContact CB-CD1 3.61Å; M405-I409 WeakPolarHBondContact O-CD1 3.28Å; M405-I409 WeakPolarHBondContact O-CG1 3.41Å; M405-I409 PolarHBondContact O-N 3.07Å; I406-I409 PolarHBondContact O-N 3.39Å; E407-I409 PolarHBondContact O-N 3.32Å; I409-R412 PolarHBondContact O-N 3.34Å; I409-R413 WeakPolarHBondContact O-CB 3.25Å; I409-R413 PolarHBondContact O-N 3.49Å
410	N	89.8	Confident	85.2	Confident	79 Å²	79	81.1 Å²	81.1	42%	0.422	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-44.6	-179.3	-70.4	-18.3	0	0	0	111.2	I406 E407 R412 R413 E414	I406-N410 WeakPolarHBondContact O-CB 3.26Å; I406-N410 VanDerWaalsContact O-CG 3.23Å; I406-N410 PolarHBondContact O-N 3.28Å; I406-N410 PolarHBondContact O-ND2 3.36Å; E407-N410 PolarHBondContact O-N 3.46Å; N410-R412 PolarHBondContact O-N 3.14Å; N410-R413 PolarHBondContact O-N 2.87Å; N410-E414 WeakPolarHBondContact O-CG 3.4Å; N410-E414 PolarHBondContact O-N 2.84Å
411	A	87.4	Confident	84	Confident	57 Å²	57	79.2 Å²	79.2	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-57.2	-38.2	175.6	0	0	0	0	0	112.3	E407	E407-A411 WeakPolarHBondContact O-CB 3.48Å; E407-A411 PolarHBondContact O-N 2.95Å
412	R	84.7	Confident	82.7	Confident	63 Å²	63	75.9 Å²	75.9	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-42	171.9	-72.1	-169.3	-174.3	104.6	1.9	112.8	E408 I409 N410 E414 N415 E438	E408-R412 WeakPolarHBondContact O-CG 3.44Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 VanDerWaalsContact O-N 3.14Å; E408-R412 IonicContact OE1-CZ 2.61Å; E408-R412 IonicContact OE1-NH1 3.82Å; E408-R412 PolarHBondContact OE1-NH1 3.3Å; E408-R412 IonicContact OE1-NH2 3.44Å; E408-R412 PolarHBondContact OE1-NH2 3.32Å; I409-R412 PolarHBondContact O-N 3.34Å; N410-R412 PolarHBondContact O-N 3.14Å; R412-E414 VanDerWaalsContact C-N 3.27Å; R412-E414 PolarHBondContact O-N 3.15Å; R412-N415 WeakPolarHBondContact O-CA 3.39Å; R412-N415 PolarHBondContact O-N 3.21Å; R412-N415 PolarHBondContact O-OD1 3.42Å; R412-N415 VanDerWaalsContact O-OD1 3.06Å; R412-E438 IonicContact NH2-OE2 2.64Å
413	R	82.2	Confident	81.4	Confident	83 Å²	83	73.2 Å²	73.2	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-35.6	-179.5	-171.7	177.5	-177.6	169.9	3.9	111.8	E346 D347 I409 N410 N415	E346-R413 IonicContact OE2-CZ 3.7Å; E346-R413 IonicContact OE2-NH1 3.11Å; E346-R413 PolarHBondContact OE2-NH1 3.33Å; E346-R413 IonicContact OE2-NH2 3.4Å; E346-R413 PolarHBondContact OE2-NH2 3.04Å; D347-R413 IonicContact OD2-NH2 2.83Å; D347-R413 PolarHBondContact OD2-NH2 3.39Å; I409-R413 WeakPolarHBondContact O-CB 3.25Å; I409-R413 PolarHBondContact O-N 3.49Å; N410-R413 PolarHBondContact O-N 2.87Å; R413-N415 PolarHBondContact O-N 2.93Å; R413-N415 VanDerWaalsContact O-N 3.12Å; R413-N415 PolarHBondContact O-ND2 3.49Å
414	E	81.3	Confident	79.9	Confident	111 Å²	111	71.4 Å²	71.4	52%	0.519	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17	173.4	-72	177.8	-179.7	0	0	112.8	N410 R412 K416	N410-E414 WeakPolarHBondContact O-CG 3.4Å; N410-E414 PolarHBondContact O-N 2.84Å; R412-E414 VanDerWaalsContact C-N 3.27Å; R412-E414 PolarHBondContact O-N 3.15Å; E414-K416 HydrophobicContact CB-CG 4.2Å; E414-K416 PolarHBondContact O-N 3.42Å; E414-K416 WeakPolarHBondContact OE2-CD 3.4Å; E414-K416 WeakPolarHBondContact OE2-CE 3.43Å; E414-K416 IonicContact OE2-NZ 3.66Å; E414-K416 PolarHBondContact OE2-NZ 2.7Å
415	N	72.8	Confident	78	Confident	72 Å²	72	70 Å²	70	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	37	178.9	-70.6	-50.4	0	0	0	112.7	R412 R413 P417	R412-N415 WeakPolarHBondContact O-CA 3.39Å; R412-N415 PolarHBondContact O-N 3.21Å; R412-N415 PolarHBondContact O-OD1 3.42Å; R412-N415 VanDerWaalsContact O-OD1 3.06Å; R413-N415 PolarHBondContact O-N 2.93Å; R413-N415 VanDerWaalsContact O-N 3.12Å; R413-N415 PolarHBondContact O-ND2 3.49Å; N415-P417 WeakPolarHBondContact O-CD 3.36Å
416	K	67.6	Low	76.7	Confident	151 Å²	151	74.9 Å²	74.9	66%	0.657	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-60.1	123	-179.4	-81.7	174.5	174.8	157	0	109	E414 S418	E414-K416 HydrophobicContact CB-CG 4.2Å; E414-K416 PolarHBondContact O-N 3.42Å; E414-K416 WeakPolarHBondContact OE2-CD 3.4Å; E414-K416 WeakPolarHBondContact OE2-CE 3.43Å; E414-K416 IonicContact OE2-NZ 3.66Å; E414-K416 PolarHBondContact OE2-NZ 2.7Å; K416-S418 PolarHBondContact O-N 2.9Å
417	P	67.6	Low	75.7	Confident	86 Å²	86	72.7 Å²	72.7	56%	0.558	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-58.4	126.8	179.2	-21.5	31.1	0	0	0	110.1	N415	N415-P417 WeakPolarHBondContact O-CD 3.36Å
418	S	66.1	Low	75.2	Confident	67 Å²	67	66.3 Å²	66.3	47%	0.469	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.5	136.5	165.8	177.1	0	0	0	0	109	T249 K416 F420	T249-S418 PolarHBondContact OG1-O 3.05Å; K416-S418 PolarHBondContact O-N 2.9Å; S418-F420 VanDerWaalsContact CB-O 3.27Å; S418-F420 WeakPolarHBondContact CB-O 3.31Å; S418-F420 PolarHBondContact O-N 2.93Å; S418-F420 PolarHBondContact OG-N 3.47Å; S418-F420 PolarHBondContact OG-O 2.53Å
419	W	70.9	Confident	74.8	Confident	215 Å²	215	65.1 Å²	65.1	81%	0.814	32%	0.321	S	S	*	.	S	Bend	trans	-67.7	-16.3	171.9	-77.8	90.9	0	0	0	112.9	P248 T249	P248-W419 WeakPolarHBondContact CA-O 3.33Å; T249-W419 PolarHBondContact N-O 3.12Å; T249-W419 PolarHBondContact OG1-O 2.92Å
420	F	70.1	Confident	74.6	Confident	110 Å²	110	65.9 Å²	65.9	48%	0.482	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-125.6	149.5	-178.8	-67.2	-94.8	0	0	0	111.7	L247 P248 T249 S418	L247-F420 WeakPolarHBondContact O-CA 3.45Å; P248-F420 HydrophobicContact CG-CD1 4.36Å; P248-F420 HydrophobicContact CG-CE1 3.96Å; T249-F420 PolarHBondContact OG1-N 2.77Å; S418-F420 VanDerWaalsContact CB-O 3.27Å; S418-F420 WeakPolarHBondContact CB-O 3.31Å; S418-F420 PolarHBondContact O-N 2.93Å; S418-F420 PolarHBondContact OG-N 3.47Å; S418-F420 PolarHBondContact OG-O 2.53Å
421	G	72.2	Confident	74.7	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	81.4	-172.8	-179.7	0	0	0	0	0	114.4	R244 L247 T249 V252	R244-G421 WeakPolarHBondContact O-CA 3.14Å; L247-G421 PolarHBondContact O-N 3.08Å; T249-G421 WeakPolarHBondContact CA-O 3.46Å; T249-G421 PolarHBondContact OG1-O 2.72Å; T249-G421 VanDerWaalsContact OG1-O 3.08Å; V252-G421 WeakPolarHBondContact CG1-O 3.36Å
422	L	71	Confident	75	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.042	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-78.2	128.5	172.7	-64.2	178.3	0	0	0	109.3	F235 V252 M256 L279 L375 Y424	F235-L422 HydrophobicContact CZ-CD1 4.36Å; V252-L422 HydrophobicContact CG1-CD2 4.05Å; V252-L422 HydrophobicContact CG2-CD2 3.88Å; M256-L422 HydrophobicContact CE-CD1 4.15Å; M256-L422 HydrophobicContact CE-CD2 3.3Å; M256-L422 HydrophobicContact CE-CG 4.37Å; L279-L422 HydrophobicContact CD2-CD1 3.99Å; L279-L422 HydrophobicContact CD2-CD2 4.27Å; L375-L422 HydrophobicContact CD2-CD1 4.27Å; L422-Y424 HydrophobicContact CB-CE2 4.24Å; L422-Y424 VanDerWaalsContact O-CD2 3.31Å; L422-Y424 WeakPolarHBondContact O-CD2 3.45Å; L422-Y424 WeakPolarHBondContact O-CE2 3.45Å
423	C	67.6	Low	75.6	Confident	12 Å²	12	57.5 Å²	57.5	8%	0.081	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-83	121.5	175.8	-166.6	0	0	0	0	109.9	T249 L279 C425	T249-C423 HydrophobicContact CG2-CB 4.06Å; L279-C423 PolarHBondContact N-O 2.67Å; C423-C425 PolarHBondContact SG-SG 2.8Å
424	Y	64.8	Low	76.2	Confident	47 Å²	47	57.1 Å²	57.1	18%	0.184	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-103.5	120.1	177.7	-58.5	-78.5	0	0	0	108.7	L375 L422 Q429 D431	L375-Y424 HydrophobicContact CB-CE1 4.24Å; L375-Y424 HydrophobicContact CD2-CE1 4.24Å; L422-Y424 HydrophobicContact CB-CE2 4.24Å; L422-Y424 VanDerWaalsContact O-CD2 3.31Å; L422-Y424 WeakPolarHBondContact O-CD2 3.45Å; L422-Y424 WeakPolarHBondContact O-CE2 3.45Å; Y424-Q429 HydrophobicContact CD1-CB 4.3Å; Y424-Q429 HydrophobicContact CG-CB 4.38Å; Y424-D431 HydrophobicContact CE2-CB 3.87Å; Y424-D431 PolarHBondContact OH-OD2 2.78Å
425	C	56.6	Low	77	Confident	35 Å²	35	52 Å²	52	24%	0.236	26%	0.262	C	S	.	.			trans	-119	0.9	-167.7	-56.5	0	0	0	0	114.1	Q278 C423	Q278-C425 HydrophobicContact CB-CB 4.38Å; Q278-C425 HydrophobicContact CG-CB 4.41Å; Q278-C425 WeakPolarHBondContact CG-SG 3.26Å; C423-C425 PolarHBondContact SG-SG 2.8Å
426	K	67.7	Low	78.2	Confident	111 Å²	111	48.6 Å²	48.6	48%	0.483	24%	0.243	S	C	.	.	S	Bend	trans	-105.3	149.1	174.7	-56.8	-172	175.7	-177.9	0	111.4	L428 Q429	K426-L428 PolarHBondContact O-N 3.05Å; K426-Q429 HydrophobicContact CB-CG 3.97Å; K426-Q429 WeakPolarHBondContact O-CB 3.33Å; K426-Q429 WeakPolarHBondContact O-CG 3.28Å; K426-Q429 PolarHBondContact O-N 3.07Å; K426-Q429 VanDerWaalsContact O-N 3.12Å
427	A	74.3	Confident	79.6	Confident	25 Å²	25	42.2 Å²	42.2	21%	0.207	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	137.8	173.6	0	0	0	0	0	111.5	G348 Q349 Q429	G348-A427 WeakPolarHBondContact O-CB 3.49Å; Q349-A427 HydrophobicContact CB-CB 4.26Å; A427-Q429 PolarHBondContact O-N 3.41Å
428	L	81.9	Confident	81.1	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-0.5	179.3	-48.9	176.4	0	0	0	116	F333 Q349 Y355 L371 I372 K373 K426	F333-L428 HydrophobicContact CE1-CD1 3.93Å; F333-L428 HydrophobicContact CZ-CD1 4.17Å; Q349-L428 HydrophobicContact CG-CD2 4.41Å; Y355-L428 HydrophobicContact CD1-CD2 3.65Å; Y355-L428 HydrophobicContact CE1-CD2 3.91Å; L371-L428 HydrophobicContact CD1-CD1 3.89Å; L371-L428 HydrophobicContact CG-CD1 4Å; L371-L428 HydrophobicContact CG-CD2 4.29Å; I372-L428 WeakPolarHBondContact CG1-O 3.48Å; K373-L428 HydrophobicContact CB-CB 4.36Å; K373-L428 HydrophobicContact CD-CB 4.46Å; K373-L428 HydrophobicContact CG-CB 4.17Å; K373-L428 PolarHBondContact N-O 3.36Å; K426-L428 PolarHBondContact O-N 3.05Å
429	Q	83.9	Confident	82.6	Confident	23 Å²	23	37.7 Å²	37.7	11%	0.107	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.7	179.4	-71.3	-176.1	-33.3	0	0	112.5	K373 Y424 K426 A427	K373-Q429 HydrophobicContact CB-CG 4.33Å; K373-Q429 VanDerWaalsContact O-CA 3.29Å; K373-Q429 WeakPolarHBondContact O-CA 3.38Å; Y424-Q429 HydrophobicContact CD1-CB 4.3Å; Y424-Q429 HydrophobicContact CG-CB 4.38Å; K426-Q429 HydrophobicContact CB-CG 3.97Å; K426-Q429 WeakPolarHBondContact O-CB 3.33Å; K426-Q429 WeakPolarHBondContact O-CG 3.28Å; K426-Q429 PolarHBondContact O-N 3.07Å; K426-Q429 VanDerWaalsContact O-N 3.12Å; A427-Q429 PolarHBondContact O-N 3.41Å
430	S	87	Confident	83.9	Confident	23 Å²	23	27.5 Å²	27.5	16%	0.161	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151.5	178.6	-157	0	0	0	0	112.9	K373 P374 L375 Y432	K373-S430 PolarHBondContact O-N 2.97Å; P374-S430 CarbonylContact C-O 3.5Å; P374-S430 WeakPolarHBondContact CA-O 3.1Å; L375-S430 PolarHBondContact N-O 3.45Å; S430-Y432 PolarHBondContact O-N 2.88Å
431	D	91.2	Very high	85.3	Confident	13 Å²	13	25.5 Å²	25.5	7%	0.07	14%	0.139	C	C	.	.			trans	-68.9	120.3	169.1	-175.7	-92.5	0	0	0	110	N241 Y424 I433 T434 Y435	N241-D431 PolarHBondContact ND2-OD1 3.36Å; N241-D431 PolarHBondContact OD1-OD2 3.48Å; Y424-D431 HydrophobicContact CE2-CB 3.87Å; Y424-D431 PolarHBondContact OH-OD2 2.78Å; D431-I433 PolarHBondContact O-N 3.03Å; D431-I433 PolarHBondContact OD1-N 2.87Å; D431-T434 VanDerWaalsContact OD1-CB 3.26Å; D431-T434 WeakPolarHBondContact OD1-CB 3.39Å; D431-T434 PolarHBondContact OD1-N 3.13Å; D431-T434 PolarHBondContact OD1-OG1 3.35Å; D431-Y435 VanDerWaalsContact O-CB 3.27Å; D431-Y435 WeakPolarHBondContact O-CB 3.48Å; D431-Y435 PolarHBondContact O-N 2.89Å
432	Y	94.3	Very high	86.5	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-51.9	-172.8	171.4	-100.3	0	0	0	112.8	M236 P374 L375 P380 T381 S430 Y435 I436 F473	M236-Y432 VanDerWaalsContact CE-CB 3.48Å; M236-Y432 HydrophobicContact CE-CD1 3.12Å; M236-Y432 HydrophobicContact CE-CD2 4.29Å; M236-Y432 HydrophobicContact CE-CE1 3.84Å; M236-Y432 HydrophobicContact CE-CG 3.38Å; P374-Y432 HydrophobicContact CB-CD2 4.15Å; L375-Y432 VanDerWaalsContact O-CB 3.26Å; L375-Y432 WeakPolarHBondContact O-CB 3.17Å; P380-Y432 WeakPolarHBondContact CB-OH 3.42Å; P380-Y432 HydrophobicContact CG-CE2 3.95Å; P380-Y432 WeakPolarHBondContact CG-OH 3.26Å; T381-Y432 WeakPolarHBondContact OG1-CD2 3.3Å; T381-Y432 WeakPolarHBondContact OG1-CE2 3.33Å; S430-Y432 PolarHBondContact O-N 2.88Å; Y432-Y435 PolarHBondContact O-N 3.01Å; Y432-I436 HydrophobicContact CD2-CG1 4.08Å; Y432-I436 HydrophobicContact CE1-CG1 4.43Å; Y432-I436 HydrophobicContact CE2-CD1 4.18Å; Y432-I436 HydrophobicContact CE2-CG1 3.86Å; Y432-I436 HydrophobicContact CG-CG1 4.46Å; Y432-I436 WeakPolarHBondContact O-CB 3.31Å; Y432-I436 WeakPolarHBondContact O-CG1 3.31Å; Y432-I436 PolarHBondContact O-N 3.17Å; Y432-F473 HydrophobicContact CE1-CZ 4.18Å; Y432-F473 WeakPolarHBondContact OH-CE2 3.32Å
433	I	96.6	Very high	87.8	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.036	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-41.2	-173.7	-57.6	-173.7	0	0	0	110.4	R238 N241 D431 I436 D437 C468	R238-I433 HydrophobicContact CG-CG2 4.44Å; N241-I433 HydrophobicContact CB-CD1 3.77Å; D431-I433 PolarHBondContact O-N 3.03Å; D431-I433 PolarHBondContact OD1-N 2.87Å; I433-I436 PolarHBondContact O-N 3.44Å; I433-D437 VanDerWaalsContact O-CB 3.27Å; I433-D437 WeakPolarHBondContact O-CB 3.3Å; I433-D437 PolarHBondContact O-N 2.9Å; I433-C468 HydrophobicContact CD1-CB 3.64Å; I433-C468 WeakPolarHBondContact CD1-SG 3.33Å; I433-C468 HydrophobicContact CG1-CB 4.26Å; I433-C468 VanDerWaalsContact CG1-SG 3.57Å
434	T	95	Very high	89.3	Confident	74 Å²	74	33.8 Å²	33.8	45%	0.454	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-47.7	178.1	-54	0	0	0	0	110.9	D431 D437 E438	D431-T434 VanDerWaalsContact OD1-CB 3.26Å; D431-T434 WeakPolarHBondContact OD1-CB 3.39Å; D431-T434 PolarHBondContact OD1-N 3.13Å; D431-T434 PolarHBondContact OD1-OG1 3.35Å; T434-D437 PolarHBondContact O-N 2.9Å; T434-E438 WeakPolarHBondContact O-CB 3.32Å; T434-E438 PolarHBondContact O-N 3.4Å
435	Y	96.9	Very high	90.9	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-46.6	178.7	-177.4	-103	0	0	0	112	K354 Y355 I372 T381 Q385 D431 Y432 E438 L439	K354-Y435 HydrophobicContact CB-CE2 4.32Å; K354-Y435 PolarHBondContact O-OH 2.91Å; Y355-Y435 HydrophobicContact CD2-CE2 4.09Å; I372-Y435 HydrophobicContact CD1-CD1 3.75Å; I372-Y435 HydrophobicContact CD1-CD2 3.93Å; I372-Y435 HydrophobicContact CD1-CE1 3.57Å; I372-Y435 HydrophobicContact CD1-CE2 3.76Å; I372-Y435 HydrophobicContact CD1-CG 3.92Å; T381-Y435 HydrophobicContact CG2-CD1 3.99Å; T381-Y435 HydrophobicContact CG2-CE1 3.78Å; Q385-Y435 HydrophobicContact CG-CE1 3.96Å; Q385-Y435 WeakPolarHBondContact CG-OH 3.39Å; Q385-Y435 PolarHBondContact NE2-OH 2.6Å; D431-Y435 VanDerWaalsContact O-CB 3.27Å; D431-Y435 WeakPolarHBondContact O-CB 3.48Å; D431-Y435 PolarHBondContact O-N 2.89Å; Y432-Y435 PolarHBondContact O-N 3.01Å; Y435-E438 PolarHBondContact O-N 3.16Å; Y435-L439 HydrophobicContact CD1-CD1 4.33Å; Y435-L439 HydrophobicContact CE1-CD1 3.6Å; Y435-L439 HydrophobicContact CE1-CG 4.27Å; Y435-L439 WeakPolarHBondContact O-CG 3.2Å; Y435-L439 PolarHBondContact O-N 2.9Å
436	I	98.4	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-48.8	178.2	-67.5	-69.8	0	0	0	111.1	T384 Y432 I433 E438 L439 L440 F473	T384-I436 HydrophobicContact CG2-CD1 4.07Å; T384-I436 HydrophobicContact CG2-CG2 4.38Å; Y432-I436 HydrophobicContact CD2-CG1 4.08Å; Y432-I436 HydrophobicContact CE1-CG1 4.43Å; Y432-I436 HydrophobicContact CE2-CD1 4.18Å; Y432-I436 HydrophobicContact CE2-CG1 3.86Å; Y432-I436 HydrophobicContact CG-CG1 4.46Å; Y432-I436 WeakPolarHBondContact O-CB 3.31Å; Y432-I436 WeakPolarHBondContact O-CG1 3.31Å; Y432-I436 PolarHBondContact O-N 3.17Å; I433-I436 PolarHBondContact O-N 3.44Å; I436-E438 VanDerWaalsContact C-N 3.25Å; I436-E438 PolarHBondContact O-N 2.66Å; I436-L439 PolarHBondContact O-N 3.23Å; I436-L440 HydrophobicContact CG2-CD1 3.55Å; I436-L440 HydrophobicContact CG2-CG 3.95Å; I436-L440 WeakPolarHBondContact O-CB 3.35Å; I436-L440 VanDerWaalsContact O-CG 3.27Å; I436-L440 WeakPolarHBondContact O-CG 3.34Å; I436-L440 PolarHBondContact O-N 3.49Å; I436-F473 HydrophobicContact CB-CE1 4.5Å; I436-F473 HydrophobicContact CB-CZ 4.32Å; I436-F473 HydrophobicContact CD1-CE2 4.41Å; I436-F473 HydrophobicContact CG1-CE2 4.47Å; I436-F473 HydrophobicContact CG1-CZ 4.33Å; I436-F473 HydrophobicContact CG2-CD1 3.77Å; I436-F473 HydrophobicContact CG2-CD2 4.11Å; I436-F473 HydrophobicContact CG2-CE1 3.41Å; I436-F473 VanDerWaalsContact CG2-CE1 3.41Å; I436-F473 HydrophobicContact CG2-CE2 3.81Å; I436-F473 HydrophobicContact CG2-CG 4.12Å; I436-F473 HydrophobicContact CG2-CZ 3.49Å; I436-F473 VanDerWaalsContact CG2-CZ 3.49Å
437	D	98.2	Very high	94.1	Very high	18 Å²	18	29 Å²	29	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-34.5	-179.1	-88.8	4.5	0	0	0	112.4	R238 I433 T434 T441 K446	R238-D437 IonicContact CZ-OD1 3.59Å; R238-D437 IonicContact CZ-OD2 3.65Å; R238-D437 IonicContact NH1-OD1 3.92Å; R238-D437 PolarHBondContact NH1-OD1 2.87Å; R238-D437 IonicContact NH1-OD2 3.5Å; R238-D437 PolarHBondContact NH1-OD2 2.83Å; R238-D437 IonicContact NH2-OD1 2.81Å; R238-D437 PolarHBondContact NH2-OD1 2.86Å; I433-D437 VanDerWaalsContact O-CB 3.27Å; I433-D437 WeakPolarHBondContact O-CB 3.3Å; I433-D437 PolarHBondContact O-N 2.9Å; T434-D437 PolarHBondContact O-N 2.9Å; D437-T441 WeakPolarHBondContact O-CB 3.34Å; D437-T441 PolarHBondContact O-N 2.68Å; D437-T441 PolarHBondContact O-OG1 2.9Å; D437-K446 HydrophobicContact CB-CD 4.02Å; D437-K446 WeakPolarHBondContact OD2-CE 3.34Å; D437-K446 IonicContact OD2-NZ 2.96Å; D437-K446 PolarHBondContact OD2-NZ 2.9Å
438	E	97.7	Very high	95.2	Very high	58 Å²	58	35.6 Å²	35.6	27%	0.271	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-51.4	173.7	179.6	165.6	-126.3	0	0	111.1	K354 R412 T434 Y435 I436 L440 T441 Y442	K354-E438 WeakPolarHBondContact CD-OE2 3.33Å; K354-E438 VanDerWaalsContact CE-OE2 3.32Å; K354-E438 WeakPolarHBondContact CE-OE2 3.5Å; K354-E438 IonicContact NZ-OE1 3.33Å; K354-E438 PolarHBondContact NZ-OE1 3.19Å; K354-E438 IonicContact NZ-OE2 2.66Å; K354-E438 PolarHBondContact NZ-OE2 2.66Å; R412-E438 IonicContact NH2-OE2 2.64Å; T434-E438 WeakPolarHBondContact O-CB 3.32Å; T434-E438 PolarHBondContact O-N 3.4Å; Y435-E438 PolarHBondContact O-N 3.16Å; I436-E438 VanDerWaalsContact C-N 3.25Å; I436-E438 PolarHBondContact O-N 2.66Å; E438-L440 PolarHBondContact O-N 2.98Å; E438-T441 WeakPolarHBondContact O-CB 3.31Å; E438-T441 PolarHBondContact O-N 2.52Å; E438-T441 VanDerWaalsContact O-N 3.14Å; E438-Y442 HydrophobicContact CG-CE2 3.92Å; E438-Y442 PolarHBondContact O-N 3.24Å; E438-Y442 VanDerWaalsContact O-N 3.14Å; E438-Y442 PolarHBondContact OE1-OH 3.04Å
439	L	98.5	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-40.8	178.2	-63.7	-166	0	0	0	112.6	I356 T384 Q385 W388 Y435 I436 T441 Y442 I443	I356-L439 HydrophobicContact CD1-CD1 4.44Å; T384-L439 HydrophobicContact CG2-CB 3.72Å; T384-L439 HydrophobicContact CG2-CD1 4.13Å; Q385-L439 HydrophobicContact CB-CD1 4.49Å; Q385-L439 HydrophobicContact CG-CD1 3.93Å; W388-L439 HydrophobicContact CD2-CD2 3.99Å; W388-L439 HydrophobicContact CE3-CD2 3.37Å; W388-L439 HydrophobicContact CZ3-CD2 3.71Å; Y435-L439 HydrophobicContact CD1-CD1 4.33Å; Y435-L439 HydrophobicContact CE1-CD1 3.6Å; Y435-L439 HydrophobicContact CE1-CG 4.27Å; Y435-L439 WeakPolarHBondContact O-CG 3.2Å; Y435-L439 PolarHBondContact O-N 2.9Å; I436-L439 PolarHBondContact O-N 3.23Å; L439-T441 PolarHBondContact O-N 2.98Å; L439-Y442 HydrophobicContact CD2-CD2 4.15Å; L439-Y442 HydrophobicContact CD2-CE2 4.37Å; L439-Y442 PolarHBondContact O-N 2.89Å; L439-I443 PolarHBondContact O-N 2.89Å
440	L	98.6	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-30.8	175.5	-67.9	178	0	0	0	112.2	T384 I436 E438 I443 N444 A445 K446 F473	T384-L440 HydrophobicContact CG2-CD2 3.96Å; T384-L440 HydrophobicContact CG2-CG 4.16Å; I436-L440 HydrophobicContact CG2-CD1 3.55Å; I436-L440 HydrophobicContact CG2-CG 3.95Å; I436-L440 WeakPolarHBondContact O-CB 3.35Å; I436-L440 VanDerWaalsContact O-CG 3.27Å; I436-L440 WeakPolarHBondContact O-CG 3.34Å; I436-L440 PolarHBondContact O-N 3.49Å; E438-L440 PolarHBondContact O-N 2.98Å; L440-I443 HydrophobicContact CD2-CD1 4.18Å; L440-I443 PolarHBondContact O-N 3.17Å; L440-N444 PolarHBondContact O-N 3.11Å; L440-N444 VanDerWaalsContact O-N 3.12Å; L440-A445 HydrophobicContact CD2-CB 3.95Å; L440-A445 PolarHBondContact O-N 2.66Å; L440-K446 HydrophobicContact CB-CB 3.93Å; L440-K446 PolarHBondContact O-N 3.26Å; L440-F473 HydrophobicContact CD1-CB 3.89Å; L440-F473 HydrophobicContact CD1-CD1 3.42Å; L440-F473 VanDerWaalsContact CD1-CD1 3.42Å; L440-F473 HydrophobicContact CD1-CE1 4.18Å; L440-F473 HydrophobicContact CD1-CG 3.83Å; L440-F473 HydrophobicContact CD2-CB 4Å
441	T	98.5	Very high	96.6	Very high	69 Å²	69	47.2 Å²	47.2	42%	0.423	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-44.5	173.7	-59.6	0	0	0	0	110.2	D437 E438 L439 I443 N444 K446	D437-T441 WeakPolarHBondContact O-CB 3.34Å; D437-T441 PolarHBondContact O-N 2.68Å; D437-T441 PolarHBondContact O-OG1 2.9Å; E438-T441 WeakPolarHBondContact O-CB 3.31Å; E438-T441 PolarHBondContact O-N 2.52Å; E438-T441 VanDerWaalsContact O-N 3.14Å; L439-T441 PolarHBondContact O-N 2.98Å; T441-I443 PolarHBondContact O-N 2.65Å; T441-N444 PolarHBondContact O-N 3.21Å; T441-K446 VanDerWaalsContact OG1-CD 3.26Å; T441-K446 WeakPolarHBondContact OG1-CD 3.33Å
442	Y	98.2	Very high	96.8	Very high	71 Å²	71	47.6 Å²	47.6	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-31.6	178.4	-63.6	-27.5	0	0	0	113.5	Y353 K354 W388 N397 E438 L439	Y353-Y442 PolarHBondContact OH-OH 2.82Å; K354-Y442 WeakPolarHBondContact CE-OH 3.31Å; K354-Y442 PolarHBondContact NZ-OH 3.28Å; W388-Y442 HydrophobicContact CD2-CD2 4.06Å; W388-Y442 AromaticContact CE2-CD2 3.57Å; W388-Y442 HydrophobicContact CH2-CD2 4.25Å; W388-Y442 HydrophobicContact CH2-CE2 4.22Å; W388-Y442 AromaticContact CZ2-CD2 3.67Å; W388-Y442 HydrophobicContact CZ2-CD2 3.67Å; W388-Y442 AromaticContact CZ2-CE2 3.95Å; W388-Y442 HydrophobicContact CZ2-CE2 3.95Å; W388-Y442 AromaticContact NE1-CD2 3.79Å; N397-Y442 PolarHBondContact ND2-O 2.82Å; E438-Y442 HydrophobicContact CG-CE2 3.92Å; E438-Y442 PolarHBondContact O-N 3.24Å; E438-Y442 VanDerWaalsContact O-N 3.14Å; E438-Y442 PolarHBondContact OE1-OH 3.04Å; L439-Y442 HydrophobicContact CD2-CD2 4.15Å; L439-Y442 HydrophobicContact CD2-CE2 4.37Å; L439-Y442 PolarHBondContact O-N 2.89Å
443	I	98.3	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.2	177.5	66.6	171.8	0	0	0	113.9	R387 W388 L439 L440 T441 A445 P478	R387-I443 HydrophobicContact CB-CD1 4.02Å; W388-I443 HydrophobicContact CB-CG2 3.88Å; W388-I443 HydrophobicContact CG-CG2 4.24Å; L439-I443 PolarHBondContact O-N 2.89Å; L440-I443 HydrophobicContact CD2-CD1 4.18Å; L440-I443 PolarHBondContact O-N 3.17Å; T441-I443 PolarHBondContact O-N 2.65Å; I443-A445 VanDerWaalsContact C-N 3.28Å; I443-A445 HydrophobicContact CD1-CB 3.92Å; I443-A445 HydrophobicContact CG1-CB 3.78Å; I443-A445 PolarHBondContact O-N 3.37Å; I443-P478 WeakPolarHBondContact O-CD 3.42Å
444	N	98	Very high	96.8	Very high	125 Å²	125	58.1 Å²	58.1	67%	0.668	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.6	-176.8	-60.1	-62.5	0	0	0	114.4	L440 T441 G477	L440-N444 PolarHBondContact O-N 3.11Å; L440-N444 VanDerWaalsContact O-N 3.12Å; T441-N444 PolarHBondContact O-N 3.21Å; N444-G477 VanDerWaalsContact O-CA 3.26Å; N444-G477 WeakPolarHBondContact O-CA 3.36Å
445	A	98.3	Very high	96.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.			trans	-108.7	-7.4	177.6	0	0	0	0	0	113.9	L440 I443 P447 T476	L440-A445 HydrophobicContact CD2-CB 3.95Å; L440-A445 PolarHBondContact O-N 2.66Å; I443-A445 VanDerWaalsContact C-N 3.28Å; I443-A445 HydrophobicContact CD1-CB 3.92Å; I443-A445 HydrophobicContact CG1-CB 3.78Å; I443-A445 PolarHBondContact O-N 3.37Å; A445-P447 WeakPolarHBondContact O-CD 3.29Å; A445-T476 WeakPolarHBondContact CB-O 3.45Å; A445-T476 PolarHBondContact O-OG1 3.25Å
446	K	98.1	Very high	96.9	Very high	87 Å²	87	61.3 Å²	61.3	38%	0.378	31%	0.311	S	S	.	.	S	Bend	trans	-63.3	122	178.5	-178.3	176	177.1	171.3	0	110.2	D437 L440 T441 K448	D437-K446 HydrophobicContact CB-CD 4.02Å; D437-K446 WeakPolarHBondContact OD2-CE 3.34Å; D437-K446 IonicContact OD2-NZ 2.96Å; D437-K446 PolarHBondContact OD2-NZ 2.9Å; L440-K446 HydrophobicContact CB-CB 3.93Å; L440-K446 PolarHBondContact O-N 3.26Å; T441-K446 VanDerWaalsContact OG1-CD 3.26Å; T441-K446 WeakPolarHBondContact OG1-CD 3.33Å; K446-K448 PolarHBondContact O-N 3.21Å
447	P	95.3	Very high	96.8	Very high	6 Å²	6	64.6 Å²	64.6	4%	0.039	33%	0.332	C	S	.	.			trans	-63.9	130.7	-178.6	23.8	-32.1	0	0	0	111.4	A445 L449 M452 L475	A445-P447 WeakPolarHBondContact O-CD 3.29Å; P447-L449 PolarHBondContact O-N 3.37Å; P447-L449 VanDerWaalsContact O-N 3.15Å; P447-M452 HydrophobicContact CB-SD 3.61Å; P447-L475 HydrophobicContact CB-CD1 4.49Å
448	K	95.6	Very high	96.8	Very high	163 Å²	163	69.3 Å²	69.3	71%	0.709	35%	0.354	S	S	*	.			trans	-84.4	83.6	178.4	-65.2	-177.4	-178.7	179.7	0	110.3	K446 F450 S451 M452	K446-K448 PolarHBondContact O-N 3.21Å; K448-F450 VanDerWaalsContact C-N 3.34Å; K448-F450 PolarHBondContact O-N 2.99Å; K448-S451 WeakPolarHBondContact O-CB 3.37Å; K448-S451 PolarHBondContact O-N 3.28Å; K448-M452 PolarHBondContact O-N 2.92Å
449	L	94.3	Very high	96.8	Very high	43 Å²	43	67 Å²	67	23%	0.225	34%	0.343	C	S	.	.	H	α-helix	trans	-52.3	-43.3	-171.4	-61.5	179.7	0	0	0	114.6	P447 S451 M452 L453 V463 F464	P447-L449 PolarHBondContact O-N 3.37Å; P447-L449 VanDerWaalsContact O-N 3.15Å; L449-S451 PolarHBondContact O-N 3.38Å; L449-M452 HydrophobicContact CD2-SD 4.48Å; L449-M452 PolarHBondContact O-N 3.32Å; L449-L453 PolarHBondContact O-N 3.23Å; L449-V463 HydrophobicContact CD2-CB 4.2Å; L449-V463 HydrophobicContact CD2-CG1 3.45Å; L449-V463 VanDerWaalsContact CD2-CG1 3.45Å; L449-F464 HydrophobicContact CD1-CB 4.4Å; L449-F464 HydrophobicContact CD1-CD2 3.74Å; L449-F464 HydrophobicContact CD1-CG 4.47Å
450	F	93.4	Very high	96.7	Very high	184 Å²	184	67.2 Å²	67.2	81%	0.807	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-41.1	177.7	-72.1	-70.5	0	0	0	112.8	K448 L453	K448-F450 VanDerWaalsContact C-N 3.34Å; K448-F450 PolarHBondContact O-N 2.99Å; F450-L453 PolarHBondContact O-N 2.91Å
451	S	95.3	Very high	96.6	Very high	66 Å²	66	71.2 Å²	71.2	46%	0.462	37%	0.366	S	S	.	.	H	α-helix	trans	-70	-35.9	175.8	175.6	0	0	0	0	111.7	K448 L449 L453 L454 T455	K448-S451 WeakPolarHBondContact O-CB 3.37Å; K448-S451 PolarHBondContact O-N 3.28Å; L449-S451 PolarHBondContact O-N 3.38Å; S451-L453 VanDerWaalsContact C-N 3.34Å; S451-L454 PolarHBondContact O-N 3.39Å; S451-T455 PolarHBondContact O-N 3.45Å; S451-T455 PolarHBondContact O-OG1 2.92Å
452	M	95.3	Very high	96.5	Very high	20 Å²	20	69.2 Å²	69.2	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-37.9	173.9	-69.3	176.1	63.2	0	0	111.7	P447 K448 L449 L454 T455 D456 L459 A460 V463 L475	P447-M452 HydrophobicContact CB-SD 3.61Å; K448-M452 PolarHBondContact O-N 2.92Å; L449-M452 HydrophobicContact CD2-SD 4.48Å; L449-M452 PolarHBondContact O-N 3.32Å; M452-L454 PolarHBondContact O-N 2.97Å; M452-T455 WeakPolarHBondContact CA-OG1 3.48Å; M452-T455 PolarHBondContact O-N 3.41Å; M452-T455 PolarHBondContact O-OG1 3.42Å; M452-D456 CarbonylContact O-C 3.53Å; M452-D456 WeakPolarHBondContact O-CA 3.32Å; M452-D456 PolarHBondContact O-N 2.94Å; M452-L459 HydrophobicContact CE-CD2 3.65Å; M452-L459 HydrophobicContact CE-CG 3.71Å; M452-A460 HydrophobicContact CB-CB 3.84Å; M452-V463 HydrophobicContact CE-CG2 4.36Å; M452-L475 HydrophobicContact CE-CD1 4.02Å
453	L	95.7	Very high	96.5	Very high	80 Å²	80	65.9 Å²	65.9	42%	0.419	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-32	178.4	-171.9	65.2	0	0	0	112.2	L449 F450 S451 P457 A460 L461	L449-L453 PolarHBondContact O-N 3.23Å; F450-L453 PolarHBondContact O-N 2.91Å; S451-L453 VanDerWaalsContact C-N 3.34Å; L453-P457 HydrophobicContact CD1-CB 4.25Å; L453-P457 WeakPolarHBondContact O-CB 3.39Å; L453-A460 HydrophobicContact CB-CB 4.13Å; L453-A460 HydrophobicContact CD1-CB 4.19Å; L453-L461 HydrophobicContact CD1-CD2 4.34Å; L453-L461 HydrophobicContact CD1-CG 4.33Å
454	L	96.4	Very high	96.5	Very high	153 Å²	153	68.2 Å²	68.2	80%	0.801	35%	0.351	S	S	*	.	H	α-helix	trans	-80.9	-23.5	177.5	-59.5	175.5	0	0	0	113.6	S451 M452	S451-L454 PolarHBondContact O-N 3.39Å; M452-L454 PolarHBondContact O-N 2.97Å
455	T	96.6	Very high	96.4	Very high	111 Å²	111	67.3 Å²	67.3	68%	0.681	34%	0.341	S	S	*	.	H	α-helix	trans	-108.5	-40.1	-171.6	48.2	0	0	0	0	113.3	S451 M452	S451-T455 PolarHBondContact O-N 3.45Å; S451-T455 PolarHBondContact O-OG1 2.92Å; M452-T455 WeakPolarHBondContact CA-OG1 3.48Å; M452-T455 PolarHBondContact O-N 3.41Å; M452-T455 PolarHBondContact O-OG1 3.42Å
456	D	97.1	Very high	96.4	Very high	34 Å²	34	68.1 Å²	68.1	18%	0.182	35%	0.349	C	S	.	.			trans	-142.4	80.5	173.7	-171.1	-18.5	0	0	0	109.2	M452 H458 L459 A460 R485	M452-D456 CarbonylContact O-C 3.53Å; M452-D456 WeakPolarHBondContact O-CA 3.32Å; M452-D456 PolarHBondContact O-N 2.94Å; D456-H458 PolarHBondContact O-N 3.46Å; D456-L459 HydrophobicContact CB-CB 4.09Å; D456-L459 VanDerWaalsContact CG-CB 3.4Å; D456-L459 PolarHBondContact O-N 2.92Å; D456-L459 WeakPolarHBondContact OD1-CB 3.41Å; D456-L459 PolarHBondContact OD1-N 3.43Å; D456-L459 VanDerWaalsContact OD1-N 3.07Å; D456-L459 WeakPolarHBondContact OD2-CB 3.04Å; D456-A460 WeakPolarHBondContact O-CB 3.38Å; D456-A460 PolarHBondContact O-N 3.44Å; D456-R485 IonicContact OD1-NH2 3.82Å; D456-R485 PolarHBondContact OD1-NH2 3.16Å; D456-R485 IonicContact OD2-CZ 2.71Å; D456-R485 VanDerWaalsContact OD2-CZ 3.24Å; D456-R485 IonicContact OD2-NE 3.28Å; D456-R485 PolarHBondContact OD2-NE 2.92Å; D456-R485 IonicContact OD2-NH2 3.48Å; D456-R485 PolarHBondContact OD2-NH2 2.83Å
457	P	96.4	Very high	96.4	Very high	68 Å²	68	64.1 Å²	64.1	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-33.8	-175.8	20.9	-31.9	0	0	0	112.8	L453 A460 L461	L453-P457 HydrophobicContact CD1-CB 4.25Å; L453-P457 WeakPolarHBondContact O-CB 3.39Å; P457-A460 PolarHBondContact O-N 3.19Å; P457-L461 WeakPolarHBondContact O-CB 3.44Å; P457-L461 VanDerWaalsContact O-CG 3.25Å; P457-L461 WeakPolarHBondContact O-CG 3.41Å; P457-L461 PolarHBondContact O-N 2.81Å
458	H	96.8	Very high	96.5	Very high	117 Å²	117	63.8 Å²	63.8	54%	0.542	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-45.5	180	-172.5	-133.6	0	0	0	111.4	D456 T462 M489	D456-H458 PolarHBondContact O-N 3.46Å; H458-T462 WeakPolarHBondContact O-CB 3.45Å; H458-T462 PolarHBondContact O-N 3.05Å; H458-T462 PolarHBondContact O-OG1 3.45Å; H458-M489 WeakPolarHBondContact CE1-CE 3.35Å; H458-M489 WeakPolarHBondContact ND1-CE 3.35Å
459	L	97.8	Very high	96.6	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42.4	174.1	-178.4	62.4	0	0	0	111.6	M452 D456 L461 T462 V463 L475 R485 I488 M489	M452-L459 HydrophobicContact CE-CD2 3.65Å; M452-L459 HydrophobicContact CE-CG 3.71Å; D456-L459 HydrophobicContact CB-CB 4.09Å; D456-L459 VanDerWaalsContact CG-CB 3.4Å; D456-L459 PolarHBondContact O-N 2.92Å; D456-L459 WeakPolarHBondContact OD1-CB 3.41Å; D456-L459 PolarHBondContact OD1-N 3.43Å; D456-L459 VanDerWaalsContact OD1-N 3.07Å; D456-L459 WeakPolarHBondContact OD2-CB 3.04Å; L459-L461 PolarHBondContact O-N 3.28Å; L459-T462 PolarHBondContact O-N 3.06Å; L459-V463 HydrophobicContact CD1-CG2 4.03Å; L459-V463 HydrophobicContact CG-CG2 4.26Å; L459-V463 WeakPolarHBondContact O-CB 3.47Å; L459-V463 VanDerWaalsContact O-CG2 3.27Å; L459-V463 WeakPolarHBondContact O-CG2 3.32Å; L459-V463 PolarHBondContact O-N 2.89Å; L459-L475 HydrophobicContact CD2-CD2 4Å; L459-R485 HydrophobicContact CD1-CG 4.25Å; L459-R485 HydrophobicContact CD2-CB 4.49Å; L459-R485 HydrophobicContact CD2-CG 4.03Å; L459-I488 HydrophobicContact CD1-CB 4.27Å; L459-I488 HydrophobicContact CD1-CD1 4.12Å; L459-I488 HydrophobicContact CD1-CG2 3.96Å; L459-M489 HydrophobicContact CD1-SD 3.93Å
460	A	97.7	Very high	96.8	Very high	4 Å²	4	54 Å²	54	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-45.7	-179.8	0	0	0	0	0	112.4	M452 L453 D456 P457 V463 F464	M452-A460 HydrophobicContact CB-CB 3.84Å; L453-A460 HydrophobicContact CB-CB 4.13Å; L453-A460 HydrophobicContact CD1-CB 4.19Å; D456-A460 WeakPolarHBondContact O-CB 3.38Å; D456-A460 PolarHBondContact O-N 3.44Å; P457-A460 PolarHBondContact O-N 3.19Å; A460-V463 PolarHBondContact O-N 3.17Å; A460-F464 WeakPolarHBondContact O-CB 3.11Å; A460-F464 PolarHBondContact O-N 3.31Å
461	L	95.5	Very high	97.1	Very high	84 Å²	84	45.3 Å²	45.3	44%	0.44	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-40.4	175.8	-68	172.2	0	0	0	111.4	L453 P457 L459 F464 F465	L453-L461 HydrophobicContact CD1-CD2 4.34Å; L453-L461 HydrophobicContact CD1-CG 4.33Å; P457-L461 WeakPolarHBondContact O-CB 3.44Å; P457-L461 VanDerWaalsContact O-CG 3.25Å; P457-L461 WeakPolarHBondContact O-CG 3.41Å; P457-L461 PolarHBondContact O-N 2.81Å; L459-L461 PolarHBondContact O-N 3.28Å; L461-F464 PolarHBondContact O-N 3.47Å; L461-F465 HydrophobicContact CB-CD2 4.46Å; L461-F465 HydrophobicContact CD2-CD2 3.96Å; L461-F465 HydrophobicContact CD2-CE2 3.71Å; L461-F465 WeakPolarHBondContact O-CB 3.44Å; L461-F465 PolarHBondContact O-N 3.18Å
462	T	97.6	Very high	97.2	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-41.3	177.4	-56.2	0	0	0	0	111.9	H458 L459 G466 I488 M489	H458-T462 WeakPolarHBondContact O-CB 3.45Å; H458-T462 PolarHBondContact O-N 3.05Å; H458-T462 PolarHBondContact O-OG1 3.45Å; L459-T462 PolarHBondContact O-N 3.06Å; T462-G466 WeakPolarHBondContact O-CA 3.38Å; T462-G466 PolarHBondContact O-N 2.96Å; T462-I488 HydrophobicContact CG2-CG2 3.7Å; T462-M489 HydrophobicContact CG2-CE 4.35Å; T462-M489 HydrophobicContact CG2-SD 4.21Å
463	V	97.6	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-36	177.1	168.3	0	0	0	0	111.7	R238 L449 M452 L459 A460 Q472 L475 I488	R238-V463 WeakPolarHBondContact CD-O 3.48Å; L449-V463 HydrophobicContact CD2-CB 4.2Å; L449-V463 HydrophobicContact CD2-CG1 3.45Å; L449-V463 VanDerWaalsContact CD2-CG1 3.45Å; M452-V463 HydrophobicContact CE-CG2 4.36Å; L459-V463 HydrophobicContact CD1-CG2 4.03Å; L459-V463 HydrophobicContact CG-CG2 4.26Å; L459-V463 WeakPolarHBondContact O-CB 3.47Å; L459-V463 VanDerWaalsContact O-CG2 3.27Å; L459-V463 WeakPolarHBondContact O-CG2 3.32Å; L459-V463 PolarHBondContact O-N 2.89Å; A460-V463 PolarHBondContact O-N 3.17Å; V463-Q472 HydrophobicContact CG2-CB 4.43Å; V463-L475 HydrophobicContact CG2-CD1 3.98Å; V463-I488 HydrophobicContact CG2-CD1 4.3Å; V463-I488 HydrophobicContact CG2-CG2 4.44Å
464	F	97.8	Very high	97.5	Very high	48 Å²	48	37.5 Å²	37.5	21%	0.211	20%	0.201	C	C	.	.	H	α-helix	trans	-82.6	-49.3	-177.2	-174.4	-111.7	0	0	0	113.5	R238 F239 M242 L449 A460 L461	R238-F464 HydrophobicContact CB-CD2 3.97Å; R238-F464 HydrophobicContact CB-CE2 4.45Å; R238-F464 PolarHBondContact N-O 3.08Å; F239-F464 HydrophobicContact CB-CD1 4.19Å; F239-F464 HydrophobicContact CB-CE1 3.9Å; F239-F464 HydrophobicContact CB-CZ 4.11Å; F239-F464 WeakPolarHBondContact CB-O 3.06Å; F239-F464 AromaticContact CD2-CE1 3.7Å; F239-F464 HydrophobicContact CD2-CE1 3.7Å; F239-F464 AromaticContact CD2-CZ 3.96Å; F239-F464 HydrophobicContact CD2-CZ 3.96Å; F239-F464 HydrophobicContact CG-CE1 4.23Å; F239-F464 PolarHBondContact N-O 2.65Å; M242-F464 HydrophobicContact CE-CZ 3.97Å; M242-F464 HydrophobicContact SD-CE2 4.26Å; M242-F464 HydrophobicContact SD-CZ 3.9Å; L449-F464 HydrophobicContact CD1-CB 4.4Å; L449-F464 HydrophobicContact CD1-CD2 3.74Å; L449-F464 HydrophobicContact CD1-CG 4.47Å; A460-F464 WeakPolarHBondContact O-CB 3.11Å; A460-F464 PolarHBondContact O-N 3.31Å; L461-F464 PolarHBondContact O-N 3.47Å
465	F	96.9	Very high	97.6	Very high	107 Å²	107	31 Å²	31	47%	0.469	17%	0.168	S	C	.	.	H	α-helix	trans	-92.3	-27.9	-175.9	-68.3	-69.6	0	0	0	113.6	F239 L461	F239-F465 HydrophobicContact CB-CD1 3.79Å; F239-F465 HydrophobicContact CB-CE1 4.17Å; F239-F465 HydrophobicContact CD1-CD1 4.07Å; F239-F465 HydrophobicContact CD1-CE1 4.25Å; F239-F465 HydrophobicContact CD2-CD1 4.13Å; F239-F465 AromaticContact CD2-CE1 3.66Å; F239-F465 HydrophobicContact CD2-CE1 3.66Å; F239-F465 HydrophobicContact CE2-CE1 4.09Å; F239-F465 AromaticContact CG-CD1 3.72Å; F239-F465 HydrophobicContact CG-CD1 3.72Å; F239-F465 AromaticContact CG-CE1 3.75Å; F239-F465 HydrophobicContact CG-CE1 3.75Å; L461-F465 HydrophobicContact CB-CD2 4.46Å; L461-F465 HydrophobicContact CD2-CD2 3.96Å; L461-F465 HydrophobicContact CD2-CE2 3.71Å; L461-F465 WeakPolarHBondContact O-CB 3.44Å; L461-F465 PolarHBondContact O-N 3.18Å
466	G	96.6	Very high	97.7	Very high	16 Å²	16	28.1 Å²	28.1	17%	0.165	15%	0.15	C	C	.	.	S	Bend	trans	-78	-178.9	176.5	0	0	0	0	0	113.3	T237 T462 C468	T237-G466 WeakPolarHBondContact CB-O 3.29Å; T237-G466 VanDerWaalsContact CG2-O 3.31Å; T237-G466 WeakPolarHBondContact CG2-O 3.39Å; T462-G466 WeakPolarHBondContact O-CA 3.38Å; T462-G466 PolarHBondContact O-N 2.96Å; G466-C468 PolarHBondContact O-N 3.35Å
467	P	98	Very high	97.7	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.019	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-59.9	138.3	177.7	26.4	-34.8	0	0	0	110.8	M66 M233 S469 Q491 W492	M66-P467 HydrophobicContact CE-CB 4.36Å; M66-P467 HydrophobicContact SD-CB 3.71Å; M233-P467 HydrophobicContact CB-CB 4.04Å; M233-P467 HydrophobicContact CE-CB 4.32Å; M233-P467 HydrophobicContact CE-CG 3.85Å; M233-P467 HydrophobicContact CG-CB 4.29Å; M233-P467 WeakPolarHBondContact O-CB 3.28Å; P467-S469 PolarHBondContact O-N 3.31Å; P467-Q491 VanDerWaalsContact CG-CD 3.47Å; P467-Q491 HydrophobicContact CG-CG 4.3Å; P467-W492 HydrophobicContact CG-CZ2 4.19Å
468	C	98.4	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.			trans	-76.5	59.2	176.5	-170.8	0	0	0	0	110.3	M236 I433 G466 Q472	M236-C468 WeakPolarHBondContact O-CB 3.46Å; M236-C468 PolarHBondContact O-N 2.79Å; I433-C468 HydrophobicContact CD1-CB 3.64Å; I433-C468 WeakPolarHBondContact CD1-SG 3.33Å; I433-C468 HydrophobicContact CG1-CB 4.26Å; I433-C468 VanDerWaalsContact CG1-SG 3.57Å; G466-C468 PolarHBondContact O-N 3.35Å; C468-Q472 PolarHBondContact SG-NE2 3.21Å
469	S	98.4	Very high	97.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	14%	0.136	C	C	.	.			trans	-68.6	149.9	-175.6	55.7	0	0	0	0	111.8	E65 P467 Y471 Q472 Q491	E65-S469 WeakPolarHBondContact O-CB 3.33Å; P467-S469 PolarHBondContact O-N 3.31Å; S469-Y471 PolarHBondContact O-N 3.23Å; S469-Y471 VanDerWaalsContact O-N 3.09Å; S469-Y471 WeakPolarHBondContact OG-CD2 3.5Å; S469-Q472 VanDerWaalsContact O-CG 3.23Å; S469-Q472 WeakPolarHBondContact O-CG 3.36Å; S469-Q472 PolarHBondContact O-N 3.19Å; S469-Q491 VanDerWaalsContact CB-OE1 3.29Å; S469-Q491 PolarHBondContact OG-OE1 3.42Å
470	P	98.7	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.2	-175.7	-29.7	39	0	0	0	115	E65 C68 S70 P380 Q472 F473	E65-P470 VanDerWaalsContact O-CD 3.23Å; E65-P470 WeakPolarHBondContact O-CD 3.4Å; C68-P470 WeakPolarHBondContact O-CG 3.37Å; S70-P470 WeakPolarHBondContact CB-O 3.45Å; P380-P470 HydrophobicContact CB-CB 3.88Å; P380-P470 HydrophobicContact CB-CG 3.69Å; P380-P470 HydrophobicContact CG-CG 3.85Å; P470-Q472 PolarHBondContact O-N 3.5Å; P470-Q472 VanDerWaalsContact O-N 3.09Å; P470-F473 HydrophobicContact CB-CD2 4.1Å; P470-F473 HydrophobicContact CB-CE2 4.07Å; P470-F473 HydrophobicContact CG-CE2 4.49Å; P470-F473 WeakPolarHBondContact O-CB 3.37Å; P470-F473 VanDerWaalsContact O-CD2 3.28Å; P470-F473 WeakPolarHBondContact O-CD2 3.34Å; P470-F473 WeakPolarHBondContact O-CG 3.38Å; P470-F473 PolarHBondContact O-N 3.49Å
471	Y	98.8	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-51.5	-35.8	178.8	-47.4	-48.9	0	0	0	113.2	E65 C68 S70 P73 S469 F473 R474 W481 A487 I488	E65-Y471 VanDerWaalsContact OE2-CE2 3.31Å; E65-Y471 WeakPolarHBondContact OE2-CE2 3.42Å; E65-Y471 PolarHBondContact OE2-OH 2.84Å; C68-Y471 WeakPolarHBondContact SG-CE1 3.34Å; C68-Y471 VanDerWaalsContact SG-CZ 3.57Å; C68-Y471 PolarHBondContact SG-OH 3.19Å; C68-Y471 VanDerWaalsContact SG-OH 3.41Å; S70-Y471 WeakPolarHBondContact O-CA 3.41Å; P73-Y471 HydrophobicContact CB-CE1 3.84Å; P73-Y471 VanDerWaalsContact CB-OH 3.31Å; P73-Y471 WeakPolarHBondContact CB-OH 3.47Å; S469-Y471 PolarHBondContact O-N 3.23Å; S469-Y471 VanDerWaalsContact O-N 3.09Å; S469-Y471 WeakPolarHBondContact OG-CD2 3.5Å; Y471-F473 PolarHBondContact O-N 2.81Å; Y471-F473 VanDerWaalsContact O-N 3.15Å; Y471-R474 PolarHBondContact O-N 3.45Å; Y471-W481 AromaticContact CD1-CZ3 3.95Å; Y471-W481 HydrophobicContact CD1-CZ3 3.95Å; Y471-A487 HydrophobicContact CD1-CB 3.97Å; Y471-A487 HydrophobicContact CD2-CB 3.89Å; Y471-A487 HydrophobicContact CE1-CB 4.31Å; Y471-A487 HydrophobicContact CE2-CB 4.24Å; Y471-A487 HydrophobicContact CG-CB 3.75Å; Y471-I488 HydrophobicContact CD2-CG1 4.36Å; Y471-I488 HydrophobicContact CG-CG1 4.48Å
472	Q	98.4	Very high	98	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.1	-178.9	80.6	-171.5	-4.7	0	0	113.2	V463 C468 S469 P470 R474 L475 I488	V463-Q472 HydrophobicContact CG2-CB 4.43Å; C468-Q472 PolarHBondContact SG-NE2 3.21Å; S469-Q472 VanDerWaalsContact O-CG 3.23Å; S469-Q472 WeakPolarHBondContact O-CG 3.36Å; S469-Q472 PolarHBondContact O-N 3.19Å; P470-Q472 PolarHBondContact O-N 3.5Å; P470-Q472 VanDerWaalsContact O-N 3.09Å; Q472-R474 PolarHBondContact O-N 3.39Å; Q472-L475 HydrophobicContact CB-CD1 3.86Å; Q472-L475 PolarHBondContact O-N 3.41Å; Q472-I488 HydrophobicContact CB-CD1 3.92Å
473	F	98.5	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-75.4	-12	179.6	-51.7	-26.3	0	0	0	112.8	P380 R387 Y432 I436 L440 P470 Y471	P380-F473 HydrophobicContact CB-CD2 4.46Å; P380-F473 HydrophobicContact CB-CE2 3.99Å; R387-F473 PolarHBondContact NH1-O 3.2Å; Y432-F473 HydrophobicContact CE1-CZ 4.18Å; Y432-F473 WeakPolarHBondContact OH-CE2 3.32Å; I436-F473 HydrophobicContact CB-CE1 4.5Å; I436-F473 HydrophobicContact CB-CZ 4.32Å; I436-F473 HydrophobicContact CD1-CE2 4.41Å; I436-F473 HydrophobicContact CG1-CE2 4.47Å; I436-F473 HydrophobicContact CG1-CZ 4.33Å; I436-F473 HydrophobicContact CG2-CD1 3.77Å; I436-F473 HydrophobicContact CG2-CD2 4.11Å; I436-F473 HydrophobicContact CG2-CE1 3.41Å; I436-F473 VanDerWaalsContact CG2-CE1 3.41Å; I436-F473 HydrophobicContact CG2-CE2 3.81Å; I436-F473 HydrophobicContact CG2-CG 4.12Å; I436-F473 HydrophobicContact CG2-CZ 3.49Å; I436-F473 VanDerWaalsContact CG2-CZ 3.49Å; L440-F473 HydrophobicContact CD1-CB 3.89Å; L440-F473 HydrophobicContact CD1-CD1 3.42Å; L440-F473 VanDerWaalsContact CD1-CD1 3.42Å; L440-F473 HydrophobicContact CD1-CE1 4.18Å; L440-F473 HydrophobicContact CD1-CG 3.83Å; L440-F473 HydrophobicContact CD2-CB 4Å; P470-F473 HydrophobicContact CB-CD2 4.1Å; P470-F473 HydrophobicContact CB-CE2 4.07Å; P470-F473 HydrophobicContact CG-CE2 4.49Å; P470-F473 WeakPolarHBondContact O-CB 3.37Å; P470-F473 VanDerWaalsContact O-CD2 3.28Å; P470-F473 WeakPolarHBondContact O-CD2 3.34Å; P470-F473 WeakPolarHBondContact O-CG 3.38Å; P470-F473 PolarHBondContact O-N 3.49Å; Y471-F473 PolarHBondContact O-N 2.81Å; Y471-F473 VanDerWaalsContact O-N 3.15Å
474	R	98.5	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-120.2	22.1	175.6	-70.9	-175.8	178.6	-96.2	4.8	112.9	E23 S70 D71 E383 Y471 Q472 G479 K480 W481	E23-R474 IonicContact OE1-CZ 3.18Å; E23-R474 IonicContact OE1-NH1 2.92Å; E23-R474 PolarHBondContact OE1-NH1 3.48Å; E23-R474 IonicContact OE1-NH2 2.75Å; E23-R474 IonicContact OE2-CZ 2.64Å; E23-R474 IonicContact OE2-NH1 3.31Å; E23-R474 PolarHBondContact OE2-NH1 2.86Å; E23-R474 IonicContact OE2-NH2 2.65Å; E23-R474 PolarHBondContact OE2-NH2 2.92Å; S70-R474 WeakPolarHBondContact OG-CD 3.27Å; S70-R474 WeakPolarHBondContact OG-CG 3.46Å; S70-R474 PolarHBondContact OG-NE 2.97Å; D71-R474 IonicContact OD1-CZ 3.94Å; D71-R474 IonicContact OD1-NE 3.85Å; D71-R474 IonicContact OD2-CZ 2.64Å; E383-R474 IonicContact OE1-CZ 3.44Å; E383-R474 IonicContact OE1-NE 2.77Å; E383-R474 PolarHBondContact OE1-NE 3.45Å; E383-R474 VanDerWaalsContact OE1-NE 3.11Å; E383-R474 IonicContact OE1-NH2 3.74Å; E383-R474 PolarHBondContact OE1-NH2 3.35Å; Y471-R474 PolarHBondContact O-N 3.45Å; Q472-R474 PolarHBondContact O-N 3.39Å; R474-G479 WeakPolarHBondContact CD-O 3.02Å; R474-G479 WeakPolarHBondContact CG-O 3.32Å; R474-G479 PolarHBondContact NH1-O 3.29Å; R474-K480 CarbonylContact O-C 3.34Å; R474-K480 VanDerWaalsContact O-CA 3.32Å; R474-K480 WeakPolarHBondContact O-CA 3.47Å; R474-W481 HydrophobicContact CB-CB 3.96Å; R474-W481 PolarHBondContact O-N 3.39Å
475	L	98.1	Very high	98.1	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.094	21%	0.207	C	C	.	.	S	Bend	trans	-68.8	-35.5	171.2	-81.5	170.9	0	0	0	113.1	P447 M452 L459 V463 Q472 K480 A484 I488	P447-L475 HydrophobicContact CB-CD1 4.49Å; M452-L475 HydrophobicContact CE-CD1 4.02Å; L459-L475 HydrophobicContact CD2-CD2 4Å; V463-L475 HydrophobicContact CG2-CD1 3.98Å; Q472-L475 HydrophobicContact CB-CD1 3.86Å; Q472-L475 PolarHBondContact O-N 3.41Å; L475-K480 WeakPolarHBondContact O-CE 3.32Å; L475-A484 HydrophobicContact CD2-CB 4.06Å; L475-A484 HydrophobicContact CG-CB 4.46Å; L475-I488 HydrophobicContact CD1-CD1 3.72Å; L475-I488 HydrophobicContact CD2-CD1 3.85Å; L475-I488 HydrophobicContact CG-CD1 3.88Å
476	T	97.4	Very high	98.2	Very high	49 Å²	49	39.3 Å²	39.3	30%	0.301	21%	0.211	S	C	.	.	S	Bend	trans	-142.7	169.5	-175.1	66.7	0	0	0	0	110.8	A445	A445-T476 WeakPolarHBondContact CB-O 3.45Å; A445-T476 PolarHBondContact O-OG1 3.25Å
477	G	97.6	Very high	98.3	Very high	35 Å²	35	38.8 Å²	38.8	36%	0.361	21%	0.205	S	C	.	.	S	Bend	trans	76.7	-171.9	177.1	0	0	0	0	0	114	N444 K480	N444-G477 VanDerWaalsContact O-CA 3.26Å; N444-G477 WeakPolarHBondContact O-CA 3.36Å; G477-K480 WeakPolarHBondContact O-CB 3.46Å; G477-K480 PolarHBondContact O-N 3.03Å
478	P	97.9	Very high	98.3	Very high	39 Å²	39	38.8 Å²	38.8	25%	0.253	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	136.1	179.3	-20.1	32.4	0	0	0	111.7	R387 R391 I443 K480	R387-P478 PolarHBondContact NH2-O 3.3Å; R391-P478 VanDerWaalsContact NH1-CG 3.3Å; I443-P478 WeakPolarHBondContact O-CD 3.42Å; P478-K480 VanDerWaalsContact C-N 3.34Å
479	G	97.4	Very high	98.3	Very high	25 Å²	25	41 Å²	41	26%	0.258	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	20.4	-176	0	0	0	0	0	114.1	E23 R474 W481	E23-G479 VanDerWaalsContact OE1-CA 3.26Å; E23-G479 WeakPolarHBondContact OE1-CA 3.43Å; R474-G479 WeakPolarHBondContact CD-O 3.02Å; R474-G479 WeakPolarHBondContact CG-O 3.32Å; R474-G479 PolarHBondContact NH1-O 3.29Å; G479-W481 PolarHBondContact O-N 3.22Å
480	K	98.3	Very high	98.3	Very high	142 Å²	142	42.5 Å²	42.5	62%	0.617	23%	0.225	S	C	*	.			trans	-50.7	134.9	171.7	178.6	-176.2	177.3	-168.2	0	110.5	R474 L475 G477 P478	R474-K480 CarbonylContact O-C 3.34Å; R474-K480 VanDerWaalsContact O-CA 3.32Å; R474-K480 WeakPolarHBondContact O-CA 3.47Å; L475-K480 WeakPolarHBondContact O-CE 3.32Å; G477-K480 WeakPolarHBondContact O-CB 3.46Å; G477-K480 PolarHBondContact O-N 3.03Å; P478-K480 VanDerWaalsContact C-N 3.34Å
481	W	98.6	Very high	98.3	Very high	71 Å²	71	42.5 Å²	42.5	27%	0.269	23%	0.225	S	C	.	.			trans	-109.2	126.6	177.4	176	51.3	0	0	0	110.5	D71 P73 Y471 R474 G479 G483 A484 A487	D71-W481 HydrophobicContact CB-CB 3.88Å; D71-W481 HydrophobicContact CB-CD2 3.9Å; D71-W481 HydrophobicContact CB-CE3 4.25Å; D71-W481 HydrophobicContact CB-CG 3.72Å; P73-W481 HydrophobicContact CG-CH2 4.41Å; Y471-W481 AromaticContact CD1-CZ3 3.95Å; Y471-W481 HydrophobicContact CD1-CZ3 3.95Å; R474-W481 HydrophobicContact CB-CB 3.96Å; R474-W481 PolarHBondContact O-N 3.39Å; G479-W481 PolarHBondContact O-N 3.22Å; W481-G483 VanDerWaalsContact C-N 3.29Å; W481-G483 PolarHBondContact O-N 3.48Å; W481-A484 HydrophobicContact CB-CB 4.36Å; W481-A484 HydrophobicContact CD2-CB 4.39Å; W481-A484 HydrophobicContact CE3-CB 3.73Å; W481-A484 HydrophobicContact CZ3-CB 4.44Å; W481-A484 WeakPolarHBondContact O-CB 3.44Å; W481-A484 PolarHBondContact O-N 3.26Å; W481-A484 VanDerWaalsContact O-N 3.16Å; W481-A487 HydrophobicContact CH2-CB 3.76Å; W481-A487 HydrophobicContact CZ3-CB 3.6Å
482	E	98.1	Very high	98.2	Very high	187 Å²	187	45.9 Å²	45.9	87%	0.874	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.7	-177.5	-64.6	-176.1	165.2	0	0	112.4	A484	E482-A484 PolarHBondContact O-N 2.73Å
483	G	98.3	Very high	98.2	Very high	22 Å²	22	51 Å²	51	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.6	178.4	0	0	0	0	0	114.9	W481 R485 N486 A487	W481-G483 VanDerWaalsContact C-N 3.29Å; W481-G483 PolarHBondContact O-N 3.48Å; G483-R485 PolarHBondContact O-N 2.95Å; G483-N486 PolarHBondContact O-N 2.94Å; G483-N486 VanDerWaalsContact O-N 3.13Å; G483-A487 WeakPolarHBondContact O-CB 3.29Å; G483-A487 PolarHBondContact O-N 3.32Å
484	A	98.6	Very high	98.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-45.6	-171.1	0	0	0	0	0	112.7	L475 W481 E482 A487 I488	L475-A484 HydrophobicContact CD2-CB 4.06Å; L475-A484 HydrophobicContact CG-CB 4.46Å; W481-A484 HydrophobicContact CB-CB 4.36Å; W481-A484 HydrophobicContact CD2-CB 4.39Å; W481-A484 HydrophobicContact CE3-CB 3.73Å; W481-A484 HydrophobicContact CZ3-CB 4.44Å; W481-A484 WeakPolarHBondContact O-CB 3.44Å; W481-A484 PolarHBondContact O-N 3.26Å; W481-A484 VanDerWaalsContact O-N 3.16Å; E482-A484 PolarHBondContact O-N 2.73Å; A484-A487 PolarHBondContact O-N 3.48Å; A484-I488 WeakPolarHBondContact O-CD1 3.33Å; A484-I488 VanDerWaalsContact O-CG1 3.25Å; A484-I488 WeakPolarHBondContact O-CG1 3.49Å; A484-I488 PolarHBondContact O-N 3.32Å
485	R	98.4	Very high	98.1	Very high	110 Å²	110	51.7 Å²	51.7	42%	0.415	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-51.5	177.3	179.7	-179.2	-170.2	-74.3	-2.7	110.7	D456 L459 G483 A487 I488 M489	D456-R485 IonicContact OD1-NH2 3.82Å; D456-R485 PolarHBondContact OD1-NH2 3.16Å; D456-R485 IonicContact OD2-CZ 2.71Å; D456-R485 VanDerWaalsContact OD2-CZ 3.24Å; D456-R485 IonicContact OD2-NE 3.28Å; D456-R485 PolarHBondContact OD2-NE 2.92Å; D456-R485 IonicContact OD2-NH2 3.48Å; D456-R485 PolarHBondContact OD2-NH2 2.83Å; L459-R485 HydrophobicContact CD1-CG 4.25Å; L459-R485 HydrophobicContact CD2-CB 4.49Å; L459-R485 HydrophobicContact CD2-CG 4.03Å; G483-R485 PolarHBondContact O-N 2.95Å; R485-A487 VanDerWaalsContact C-N 3.32Å; R485-A487 PolarHBondContact O-N 2.91Å; R485-I488 PolarHBondContact O-N 2.9Å; R485-M489 HydrophobicContact CG-CG 4.43Å; R485-M489 VanDerWaalsContact O-CG 3.31Å; R485-M489 WeakPolarHBondContact O-CG 3.42Å; R485-M489 PolarHBondContact O-N 3.11Å
486	N	98.7	Very high	98	Very high	105 Å²	105	54.2 Å²	54.2	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-43.4	-178	-173.4	59.9	0	0	0	111.2	G483 I488 M489 T490	G483-N486 PolarHBondContact O-N 2.94Å; G483-N486 VanDerWaalsContact O-N 3.13Å; N486-I488 PolarHBondContact O-N 3.35Å; N486-M489 PolarHBondContact O-N 3Å; N486-T490 WeakPolarHBondContact O-CB 3.49Å; N486-T490 PolarHBondContact O-N 3.44Å; N486-T490 PolarHBondContact O-OG1 2.99Å
487	A	98.7	Very high	98	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-59.1	-43.4	177.8	0	0	0	0	0	112.3	Y471 W481 G483 A484 R485 T490 Q491 R494	Y471-A487 HydrophobicContact CD1-CB 3.97Å; Y471-A487 HydrophobicContact CD2-CB 3.89Å; Y471-A487 HydrophobicContact CE1-CB 4.31Å; Y471-A487 HydrophobicContact CE2-CB 4.24Å; Y471-A487 HydrophobicContact CG-CB 3.75Å; W481-A487 HydrophobicContact CH2-CB 3.76Å; W481-A487 HydrophobicContact CZ3-CB 3.6Å; G483-A487 WeakPolarHBondContact O-CB 3.29Å; G483-A487 PolarHBondContact O-N 3.32Å; A484-A487 PolarHBondContact O-N 3.48Å; R485-A487 VanDerWaalsContact C-N 3.32Å; R485-A487 PolarHBondContact O-N 2.91Å; A487-T490 PolarHBondContact O-N 2.87Å; A487-Q491 PolarHBondContact O-N 3.48Å; A487-Q491 VanDerWaalsContact O-N 3.08Å; A487-R494 PolarHBondContact O-NH2 3.03Å
488	I	98.7	Very high	97.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-46.1	175.8	-66.2	162.6	0	0	0	110.8	L459 T462 V463 Y471 Q472 L475 A484 R485 N486 T490 Q491	L459-I488 HydrophobicContact CD1-CB 4.27Å; L459-I488 HydrophobicContact CD1-CD1 4.12Å; L459-I488 HydrophobicContact CD1-CG2 3.96Å; T462-I488 HydrophobicContact CG2-CG2 3.7Å; V463-I488 HydrophobicContact CG2-CD1 4.3Å; V463-I488 HydrophobicContact CG2-CG2 4.44Å; Y471-I488 HydrophobicContact CD2-CG1 4.36Å; Y471-I488 HydrophobicContact CG-CG1 4.48Å; Q472-I488 HydrophobicContact CB-CD1 3.92Å; L475-I488 HydrophobicContact CD1-CD1 3.72Å; L475-I488 HydrophobicContact CD2-CD1 3.85Å; L475-I488 HydrophobicContact CG-CD1 3.88Å; A484-I488 WeakPolarHBondContact O-CD1 3.33Å; A484-I488 VanDerWaalsContact O-CG1 3.25Å; A484-I488 WeakPolarHBondContact O-CG1 3.49Å; A484-I488 PolarHBondContact O-N 3.32Å; R485-I488 PolarHBondContact O-N 2.9Å; N486-I488 PolarHBondContact O-N 3.35Å; I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.45Å; I488-Q491 WeakPolarHBondContact O-CG 3.3Å; I488-Q491 PolarHBondContact O-NE2 3.47Å
489	M	98.4	Very high	97.7	Very high	46 Å²	46	60.9 Å²	60.9	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-68.9	-27.5	-175.5	-62.2	-44.3	-51.7	0	0	113.3	H458 L459 T462 R485 N486	H458-M489 WeakPolarHBondContact CE1-CE 3.35Å; H458-M489 WeakPolarHBondContact ND1-CE 3.35Å; L459-M489 HydrophobicContact CD1-SD 3.93Å; T462-M489 HydrophobicContact CG2-CE 4.35Å; T462-M489 HydrophobicContact CG2-SD 4.21Å; R485-M489 HydrophobicContact CG-CG 4.43Å; R485-M489 VanDerWaalsContact O-CG 3.31Å; R485-M489 WeakPolarHBondContact O-CG 3.42Å; R485-M489 PolarHBondContact O-N 3.11Å; N486-M489 PolarHBondContact O-N 3Å
490	T	98.3	Very high	97.5	Very high	33 Å²	33	65.9 Å²	65.9	20%	0.202	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	6.8	-175.9	53.8	0	0	0	0	113.4	N486 A487 I488 W492 D493 R494	N486-T490 WeakPolarHBondContact O-CB 3.49Å; N486-T490 PolarHBondContact O-N 3.44Å; N486-T490 PolarHBondContact O-OG1 2.99Å; A487-T490 PolarHBondContact O-N 2.87Å; I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.45Å; T490-W492 VanDerWaalsContact C-N 3.3Å; T490-W492 PolarHBondContact O-N 3.37Å; T490-D493 WeakPolarHBondContact O-CB 3.21Å; T490-D493 PolarHBondContact O-N 2.88Å; T490-D493 VanDerWaalsContact O-N 3.12Å; T490-R494 PolarHBondContact O-N 3.14Å; T490-R494 PolarHBondContact OG1-NH1 3.27Å
491	Q	98	Very high	96.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-38.9	-176.8	68	-163.3	-18.9	0	0	112.8	E65 M233 P467 S469 A487 I488 T495	E65-Q491 HydrophobicContact CG-CB 4.47Å; M233-Q491 HydrophobicContact CE-CG 4.39Å; P467-Q491 VanDerWaalsContact CG-CD 3.47Å; P467-Q491 HydrophobicContact CG-CG 4.3Å; S469-Q491 VanDerWaalsContact CB-OE1 3.29Å; S469-Q491 PolarHBondContact OG-OE1 3.42Å; A487-Q491 PolarHBondContact O-N 3.48Å; A487-Q491 VanDerWaalsContact O-N 3.08Å; I488-Q491 WeakPolarHBondContact O-CG 3.3Å; I488-Q491 PolarHBondContact O-NE2 3.47Å; Q491-T495 WeakPolarHBondContact O-CB 3.23Å; Q491-T495 PolarHBondContact O-N 3.15Å; Q491-T495 PolarHBondContact O-OG1 3.03Å
492	W	97.9	Very high	96.6	Very high	72 Å²	72	68.2 Å²	68.2	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-70.6	-34.4	177	-72.7	113.4	0	0	0	112.6	Y229 M233 P467 T490 R494 T495 F496	Y229-W492 HydrophobicContact CD1-CZ3 4.19Å; Y229-W492 HydrophobicContact CD2-CH2 4.19Å; Y229-W492 HydrophobicContact CD2-CZ3 4.38Å; Y229-W492 HydrophobicContact CG-CH2 4.18Å; Y229-W492 HydrophobicContact CG-CZ3 4.02Å; M233-W492 HydrophobicContact CB-CH2 3.77Å; M233-W492 HydrophobicContact CB-CZ2 4.27Å; M233-W492 HydrophobicContact CB-CZ3 4.47Å; M233-W492 HydrophobicContact CE-CD2 3.89Å; M233-W492 HydrophobicContact CE-CE3 3.8Å; M233-W492 HydrophobicContact CE-CH2 3.8Å; M233-W492 HydrophobicContact CE-CZ2 3.88Å; M233-W492 HydrophobicContact CE-CZ3 3.76Å; M233-W492 HydrophobicContact SD-CE3 4.47Å; M233-W492 HydrophobicContact SD-CH2 4.17Å; M233-W492 HydrophobicContact SD-CZ3 4Å; P467-W492 HydrophobicContact CG-CZ2 4.19Å; T490-W492 VanDerWaalsContact C-N 3.3Å; T490-W492 PolarHBondContact O-N 3.37Å; W492-R494 PolarHBondContact O-N 3.48Å; W492-T495 HydrophobicContact CE3-CG2 4.12Å; W492-T495 HydrophobicContact CZ3-CG2 4.22Å; W492-T495 PolarHBondContact O-N 3.38Å; W492-F496 HydrophobicContact CB-CD2 4.27Å; W492-F496 HydrophobicContact CB-CE2 3.96Å; W492-F496 HydrophobicContact CD2-CE2 4.33Å; W492-F496 HydrophobicContact CE3-CE1 4.48Å; W492-F496 AromaticContact CE3-CE2 3.76Å; W492-F496 HydrophobicContact CE3-CE2 3.76Å; W492-F496 AromaticContact CE3-CZ 3.64Å; W492-F496 HydrophobicContact CE3-CZ 3.64Å; W492-F496 HydrophobicContact CG-CE2 4.46Å; W492-F496 HydrophobicContact CZ3-CZ 4.09Å; W492-F496 WeakPolarHBondContact O-CD2 3.41Å; W492-F496 WeakPolarHBondContact O-CG 3.45Å; W492-F496 PolarHBondContact O-N 2.73Å
493	D	97.4	Very high	96.1	Very high	107 Å²	107	65.4 Å²	65.4	57%	0.572	34%	0.341	S	S	*	.	H	α-helix	trans	-61.2	-46.5	176.2	-57	-35.3	0	0	0	110.5	T490 F496 K497	T490-D493 WeakPolarHBondContact O-CB 3.21Å; T490-D493 PolarHBondContact O-N 2.88Å; T490-D493 VanDerWaalsContact O-N 3.12Å; D493-F496 PolarHBondContact O-N 3.19Å; D493-K497 VanDerWaalsContact O-CB 3.29Å; D493-K497 WeakPolarHBondContact O-CB 3.15Å; D493-K497 PolarHBondContact O-N 3.15Å
494	R	97.9	Very high	95.5	Very high	16 Å²	16	67.5 Å²	67.5	6%	0.06	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-35.5	175	-70.8	-170.1	-60.5	-77	-4.8	113	K64 E65 E76 A487 T490 W492	K64-R494 WeakPolarHBondContact CE-O 3.25Å; K64-R494 PolarHBondContact NZ-O 3Å; E65-R494 VanDerWaalsContact OE1-CB 3.31Å; E65-R494 WeakPolarHBondContact OE1-CB 3.34Å; E65-R494 IonicContact OE1-CZ 3.17Å; E65-R494 IonicContact OE1-NE 2.6Å; E65-R494 PolarHBondContact OE1-NE 3.23Å; E65-R494 IonicContact OE2-CZ 3.41Å; E65-R494 IonicContact OE2-NE 2.87Å; E65-R494 PolarHBondContact OE2-NE 3.31Å; E65-R494 IonicContact OE2-NH2 3.69Å; E65-R494 PolarHBondContact OE2-NH2 3.42Å; E76-R494 HydrophobicContact CB-CG 4.41Å; E76-R494 HydrophobicContact CG-CG 3.95Å; A487-R494 PolarHBondContact O-NH2 3.03Å; T490-R494 PolarHBondContact O-N 3.14Å; T490-R494 PolarHBondContact OG1-NH1 3.27Å; W492-R494 PolarHBondContact O-N 3.48Å
495	T	97.6	Very high	94.5	Very high	1 Å²	1	76.6 Å²	76.6	1%	0.006	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-41.1	175	-65.9	0	0	0	0	111.6	N80 P230 M233 Q491 W492	N80-T495 PolarHBondContact ND2-O 2.97Å; N80-T495 WeakPolarHBondContact OD1-CA 3.27Å; N80-T495 PolarHBondContact OD1-O 2.93Å; P230-T495 HydrophobicContact CG-CG2 4.08Å; M233-T495 HydrophobicContact SD-CG2 3.93Å; M233-T495 PolarHBondContact SD-OG1 3.29Å; Q491-T495 WeakPolarHBondContact O-CB 3.23Å; Q491-T495 PolarHBondContact O-N 3.15Å; Q491-T495 PolarHBondContact O-OG1 3.03Å; W492-T495 HydrophobicContact CE3-CG2 4.12Å; W492-T495 HydrophobicContact CZ3-CG2 4.22Å; W492-T495 PolarHBondContact O-N 3.38Å
496	F	96.6	Very high	93.2	Very high	71 Å²	71	79.4 Å²	79.4	31%	0.311	41%	0.409	S	S	.	.	H	α-helix	trans	-86	-25	-178.5	-64.6	-51.8	0	0	0	114	Y229 W492 D493 V498 T499 K500	Y229-F496 AromaticContact CD1-CE1 3.72Å; Y229-F496 HydrophobicContact CD1-CE1 3.72Å; Y229-F496 AromaticContact CD1-CZ 3.79Å; Y229-F496 HydrophobicContact CD1-CZ 3.79Å; Y229-F496 AromaticContact CE1-CE1 3.46Å; Y229-F496 HydrophobicContact CE1-CE1 3.46Å; Y229-F496 VanDerWaalsContact CE1-CE1 3.46Å; Y229-F496 AromaticContact CE1-CZ 3.28Å; Y229-F496 HydrophobicContact CE1-CZ 3.28Å; Y229-F496 AromaticContact CZ-CZ 3.97Å; W492-F496 HydrophobicContact CB-CD2 4.27Å; W492-F496 HydrophobicContact CB-CE2 3.96Å; W492-F496 HydrophobicContact CD2-CE2 4.33Å; W492-F496 HydrophobicContact CE3-CE1 4.48Å; W492-F496 AromaticContact CE3-CE2 3.76Å; W492-F496 HydrophobicContact CE3-CE2 3.76Å; W492-F496 AromaticContact CE3-CZ 3.64Å; W492-F496 HydrophobicContact CE3-CZ 3.64Å; W492-F496 HydrophobicContact CG-CE2 4.46Å; W492-F496 HydrophobicContact CZ3-CZ 4.09Å; W492-F496 WeakPolarHBondContact O-CD2 3.41Å; W492-F496 WeakPolarHBondContact O-CG 3.45Å; W492-F496 PolarHBondContact O-N 2.73Å; D493-F496 PolarHBondContact O-N 3.19Å; F496-V498 PolarHBondContact O-N 2.83Å; F496-V498 VanDerWaalsContact O-N 3.13Å; F496-T499 PolarHBondContact O-N 3.42Å; F496-T499 PolarHBondContact O-OG1 3.34Å; F496-K500 WeakPolarHBondContact O-CB 3.15Å; F496-K500 PolarHBondContact O-N 3.32Å
497	K	95.8	Very high	91.3	Very high	120 Å²	120	79.7 Å²	79.7	52%	0.522	42%	0.419	S	S	.	.	H	α-helix	trans	-52.3	-38.7	-179.7	-177.2	171	176.2	173.1	0	112.6	E76 D493	E76-K497 HydrophobicContact CB-CD 4.17Å; E76-K497 IonicContact OE2-NZ 2.7Å; E76-K497 PolarHBondContact OE2-NZ 2.94Å; D493-K497 VanDerWaalsContact O-CB 3.29Å; D493-K497 WeakPolarHBondContact O-CB 3.15Å; D493-K497 PolarHBondContact O-N 3.15Å
498	V	95.3	Very high	89.4	Confident	46 Å²	46	85.2 Å²	85.2	28%	0.279	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-22.6	-176.1	-64.2	0	0	0	0	114.5	E76 Y78 F496	E76-V498 WeakPolarHBondContact O-CG1 3.43Å; Y78-V498 WeakPolarHBondContact O-CG1 3.42Å; F496-V498 PolarHBondContact O-N 2.83Å; F496-V498 VanDerWaalsContact O-N 3.13Å
499	T	94.9	Very high	87.8	Confident	96 Å²	96	87.3 Å²	87.3	59%	0.589	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-27.6	176.1	56.4	0	0	0	0	111.9	F496 G501	F496-T499 PolarHBondContact O-N 3.42Å; F496-T499 PolarHBondContact O-OG1 3.34Å; T499-G501 VanDerWaalsContact C-N 3.26Å; T499-G501 PolarHBondContact O-N 2.99Å; T499-G501 VanDerWaalsContact O-N 3.12Å
500	K	92.4	Very high	86.3	Confident	131 Å²	131	89.5 Å²	89.5	57%	0.57	49%	0.487	S	S	*	.			trans	-87.6	54.3	178.1	-160.3	174.9	-175.7	172.8	0	111.9	F496 R502	F496-K500 WeakPolarHBondContact O-CB 3.15Å; F496-K500 PolarHBondContact O-N 3.32Å; K500-R502 PolarHBondContact O-N 2.6Å; K500-R502 VanDerWaalsContact O-N 3.13Å
501	G	87.1	Confident	85	Confident	79 Å²	79	94.9 Å²	94.9	81%	0.814	51%	0.508	S	S	*	.			trans	-65.7	-11.1	177.8	0	0	0	0	0	114.8	T499	T499-G501 VanDerWaalsContact C-N 3.26Å; T499-G501 PolarHBondContact O-N 2.99Å; T499-G501 VanDerWaalsContact O-N 3.12Å
502	R	92.1	Very high	83.4	Confident	183 Å²	183	100 Å²	100	69%	0.691	53%	0.532	S	S	*	.	S	Bend	trans	-128.5	125.5	174.7	-174.7	178.9	68.7	98	-0	109.9	K500 V504	K500-R502 PolarHBondContact O-N 2.6Å; K500-R502 VanDerWaalsContact O-N 3.13Å; R502-V504 VanDerWaalsContact CZ-CG2 3.49Å
503	V	87.7	Confident	82	Confident	128 Å²	128	100.1 Å²	100.1	78%	0.776	54%	0.544	S	S	*	.			trans	-78.6	129.6	172.3	-176.8	0	0	0	0	108.9
504	V	84.3	Confident	80.8	Confident	66 Å²	66	101 Å²	101	40%	0.4	54%	0.542	S	S	.	.			trans	-115.9	133.7	175.4	-172.6	0	0	0	0	107.8	R502 E506	R502-V504 VanDerWaalsContact CZ-CG2 3.49Å; V504-E506 PolarHBondContact O-N 3.46Å
505	Q	78.4	Confident	79.5	Confident	191 Å²	191	104.4 Å²	104.4	89%	0.893	56%	0.561	S	S	*	*			trans	-79.9	104.4	167.7	-69.3	-176.1	-6.6	0	0	107.9
506	E	70.9	Confident	78.3	Confident	170 Å²	170	111.1 Å²	111.1	79%	0.794	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-77.4	126.5	170.9	-73.8	177.9	-179	0	0	109	V504	V504-E506 PolarHBondContact O-N 3.46Å
507	S	59	Low	77.3	Confident	110 Å²	110	112.3 Å²	112.3	77%	0.769	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-73.5	128	168.6	-54	0	0	0	0	107.7	S509	S507-S509 PolarHBondContact O-N 3.4Å; S507-S509 VanDerWaalsContact O-N 3.11Å
508	P	58.7	Low	76.5	Confident	120 Å²	120	113.1 Å²	113.1	78%	0.779	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.8	120.7	-179.3	21.8	-30.3	0	0	0	109.8	P510	P508-P510 VanDerWaalsContact O-CD 3.32Å; P508-P510 WeakPolarHBondContact O-CD 3.43Å
509	S	65.3	Low	75.4	Confident	48 Å²	48	114.6 Å²	114.6	34%	0.336	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-76.5	117.7	173.1	176.9	0	0	0	0	109	S507 F511 E512	S507-S509 PolarHBondContact O-N 3.4Å; S507-S509 VanDerWaalsContact O-N 3.11Å; S509-F511 PolarHBondContact O-N 3.09Å; S509-F511 PolarHBondContact OG-N 3.13Å; S509-E512 PolarHBondContact O-N 2.98Å
510	P	67.1	Low	74.6	Confident	92 Å²	92	115.8 Å²	115.8	60%	0.597	61%	0.613	S	S	*	*	H	α-helix	trans	-59.4	-29.8	175.6	20.4	-28.9	0	0	0	111.4	P508 E512 S513 F514	P508-P510 VanDerWaalsContact O-CD 3.32Å; P508-P510 WeakPolarHBondContact O-CD 3.43Å; P510-E512 PolarHBondContact O-N 3.24Å; P510-S513 WeakPolarHBondContact O-CB 3.48Å; P510-S513 PolarHBondContact O-N 3.22Å; P510-F514 WeakPolarHBondContact O-CD2 3.49Å; P510-F514 PolarHBondContact O-N 3.05Å; P510-F514 VanDerWaalsContact O-N 3.09Å
511	F	70.6	Confident	73.9	Confident	146 Å²	146	113.8 Å²	113.8	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-64.2	-37	178.5	-167.7	-106.3	0	0	0	113.4	S509 S513 F514 L515	S509-F511 PolarHBondContact O-N 3.09Å; S509-F511 PolarHBondContact OG-N 3.13Å; F511-S513 VanDerWaalsContact C-N 3.33Å; F511-S513 PolarHBondContact O-N 2.97Å; F511-F514 PolarHBondContact O-N 2.93Å; F511-L515 HydrophobicContact CD1-CD1 3.7Å; F511-L515 HydrophobicContact CE1-CD1 3.44Å; F511-L515 VanDerWaalsContact CE1-CD1 3.44Å; F511-L515 HydrophobicContact CE1-CG 4.29Å; F511-L515 HydrophobicContact CZ-CD1 4.2Å; F511-L515 PolarHBondContact O-N 2.84Å
512	E	64.6	Low	73.3	Confident	108 Å²	108	112.9 Å²	112.9	51%	0.505	59%	0.593	S	S	.	*	H	α-helix	trans	-67.3	-35.4	174.5	-72.8	-171	178.3	0	0	112.4	S509 P510 L515 K516	S509-E512 PolarHBondContact O-N 2.98Å; P510-E512 PolarHBondContact O-N 3.24Å; E512-L515 PolarHBondContact O-N 2.93Å; E512-K516 WeakPolarHBondContact O-CG 3.33Å; E512-K516 PolarHBondContact O-N 3.42Å
513	S	67.7	Low	72.7	Confident	73 Å²	73	109 Å²	109	51%	0.51	59%	0.585	S	S	.	*	H	α-helix	trans	-66.9	-40.3	177.3	-59.4	0	0	0	0	111	P510 F511 L517	P510-S513 WeakPolarHBondContact O-CB 3.48Å; P510-S513 PolarHBondContact O-N 3.22Å; F511-S513 VanDerWaalsContact C-N 3.33Å; F511-S513 PolarHBondContact O-N 2.97Å; S513-L517 PolarHBondContact O-N 3.46Å; S513-L517 VanDerWaalsContact O-N 3.13Å
514	F	73.4	Confident	72.1	Confident	125 Å²	125	107 Å²	107	55%	0.548	57%	0.57	S	S	.	*	H	α-helix	trans	-64.2	-44.3	172.6	-80.3	-71.4	0	0	0	112.2	P510 F511 K516 L517 F518	P510-F514 WeakPolarHBondContact O-CD2 3.49Å; P510-F514 PolarHBondContact O-N 3.05Å; P510-F514 VanDerWaalsContact O-N 3.09Å; F511-F514 PolarHBondContact O-N 2.93Å; F514-K516 PolarHBondContact O-N 3.31Å; F514-L517 WeakPolarHBondContact O-CB 3.31Å; F514-L517 PolarHBondContact O-N 3.31Å; F514-F518 WeakPolarHBondContact O-CD2 3.34Å; F514-F518 PolarHBondContact O-N 2.97Å
515	L	70.9	Confident	71.8	Confident	88 Å²	88	107.8 Å²	107.8	46%	0.461	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-43.3	177.3	-87.6	163.2	0	0	0	112.5	F511 E512 L517 F518 S519	F511-L515 HydrophobicContact CD1-CD1 3.7Å; F511-L515 HydrophobicContact CE1-CD1 3.44Å; F511-L515 VanDerWaalsContact CE1-CD1 3.44Å; F511-L515 HydrophobicContact CE1-CG 4.29Å; F511-L515 HydrophobicContact CZ-CD1 4.2Å; F511-L515 PolarHBondContact O-N 2.84Å; E512-L515 PolarHBondContact O-N 2.93Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 3.49Å; L515-F518 PolarHBondContact O-N 3.45Å; L515-S519 WeakPolarHBondContact O-CB 3.44Å; L515-S519 PolarHBondContact O-N 3.26Å; L515-S519 PolarHBondContact O-OG 3.35Å; L515-S519 VanDerWaalsContact O-OG 3.05Å
516	K	72.8	Confident	71.4	Confident	143 Å²	143	100.8 Å²	100.8	62%	0.622	55%	0.55	S	S	*	.	H	α-helix	trans	-60.2	-41.1	175.5	-73.3	173.1	-174	171.8	0	111.8	E512 F514 F520	E512-K516 WeakPolarHBondContact O-CG 3.33Å; E512-K516 PolarHBondContact O-N 3.42Å; F514-K516 PolarHBondContact O-N 3.31Å; K516-F520 WeakPolarHBondContact O-CB 3.43Å; K516-F520 PolarHBondContact O-N 2.95Å
517	L	75.7	Confident	71.7	Confident	95 Å²	95	97 Å²	97	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175.2	-172.7	72.8	0	0	0	111.6	S513 F514 L515 F520 L521	S513-L517 PolarHBondContact O-N 3.46Å; S513-L517 VanDerWaalsContact O-N 3.13Å; F514-L517 WeakPolarHBondContact O-CB 3.31Å; F514-L517 PolarHBondContact O-N 3.31Å; L515-L517 VanDerWaalsContact C-N 3.31Å; L515-L517 PolarHBondContact O-N 3.49Å; L517-F520 PolarHBondContact O-N 3.49Å; L517-L521 HydrophobicContact CG-CD1 4.14Å; L517-L521 PolarHBondContact O-N 3.42Å
518	F	78.1	Confident	72.4	Confident	138 Å²	138	98.2 Å²	98.2	61%	0.605	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-41.9	177.4	-91.1	-76.1	0	0	0	112.6	F514 L515 F520 L521 A522	F514-F518 WeakPolarHBondContact O-CD2 3.34Å; F514-F518 PolarHBondContact O-N 2.97Å; L515-F518 PolarHBondContact O-N 3.45Å; F518-F520 VanDerWaalsContact C-N 3.32Å; F518-F520 PolarHBondContact O-N 2.92Å; F518-L521 PolarHBondContact O-N 3.25Å; F518-A522 WeakPolarHBondContact O-CB 3.36Å; F518-A522 PolarHBondContact O-N 3.44Å
519	S	71.7	Confident	72.6	Confident	76 Å²	76	98 Å²	98	53%	0.531	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-38	175.1	-60.3	0	0	0	0	111.9	L515 A522 L523	L515-S519 WeakPolarHBondContact O-CB 3.44Å; L515-S519 PolarHBondContact O-N 3.26Å; L515-S519 PolarHBondContact O-OG 3.35Å; L515-S519 VanDerWaalsContact O-OG 3.05Å; S519-A522 PolarHBondContact O-N 3.27Å; S519-L523 WeakPolarHBondContact O-CB 3.41Å; S519-L523 PolarHBondContact O-N 2.9Å
520	F	77.8	Confident	72.6	Confident	122 Å²	122	102.2 Å²	102.2	54%	0.535	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-43.5	174.7	-176.9	-103.9	0	0	0	112.1	K516 L517 F518 L523 L524	K516-F520 WeakPolarHBondContact O-CB 3.43Å; K516-F520 PolarHBondContact O-N 2.95Å; L517-F520 PolarHBondContact O-N 3.49Å; F518-F520 VanDerWaalsContact C-N 3.32Å; F518-F520 PolarHBondContact O-N 2.92Å; F520-L523 WeakPolarHBondContact O-CB 3.42Å; F520-L523 PolarHBondContact O-N 3.19Å; F520-L524 HydrophobicContact CD1-CD1 3.85Å; F520-L524 HydrophobicContact CD1-CG 4.47Å; F520-L524 HydrophobicContact CE1-CD1 3.46Å; F520-L524 VanDerWaalsContact CE1-CD1 3.46Å; F520-L524 HydrophobicContact CE1-CG 4.18Å; F520-L524 HydrophobicContact CZ-CD1 4.02Å; F520-L524 HydrophobicContact CZ-CG 4.35Å; F520-L524 WeakPolarHBondContact O-CG 3.32Å; F520-L524 PolarHBondContact O-N 3.13Å
521	L	78.1	Confident	72.2	Confident	88 Å²	88	103.7 Å²	103.7	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-61.4	-43.7	173.4	-84.4	153.2	0	0	0	112	L517 F518 L523 L524 V525	L517-L521 HydrophobicContact CG-CD1 4.14Å; L517-L521 PolarHBondContact O-N 3.42Å; F518-L521 PolarHBondContact O-N 3.25Å; L521-L523 VanDerWaalsContact C-N 3.32Å; L521-L523 PolarHBondContact O-N 3.44Å; L521-L524 PolarHBondContact O-N 2.88Å; L521-V525 WeakPolarHBondContact O-CG2 3.37Å; L521-V525 PolarHBondContact O-N 3.37Å
522	A	75.6	Confident	70.9	Confident	60 Å²	60	104.8 Å²	104.8	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-38.2	176.6	0	0	0	0	0	112.3	F518 S519 V525 A526	F518-A522 WeakPolarHBondContact O-CB 3.36Å; F518-A522 PolarHBondContact O-N 3.44Å; S519-A522 PolarHBondContact O-N 3.27Å; A522-V525 PolarHBondContact O-N 3.13Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.48Å
523	L	77.8	Confident	71.2	Confident	102 Å²	102	104.7 Å²	104.7	53%	0.534	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-43.2	174.1	-173	74.9	0	0	0	111.6	S519 F520 L521 V525 A526 I527	S519-L523 WeakPolarHBondContact O-CB 3.41Å; S519-L523 PolarHBondContact O-N 2.9Å; F520-L523 WeakPolarHBondContact O-CB 3.42Å; F520-L523 PolarHBondContact O-N 3.19Å; L521-L523 VanDerWaalsContact C-N 3.32Å; L521-L523 PolarHBondContact O-N 3.44Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 3.29Å; L523-A526 PolarHBondContact O-N 2.98Å; L523-I527 HydrophobicContact CG-CD1 4.08Å; L523-I527 VanDerWaalsContact O-CG1 3.31Å; L523-I527 WeakPolarHBondContact O-CG1 3.45Å; L523-I527 PolarHBondContact O-N 3.39Å
524	L	75.8	Confident	71.4	Confident	85 Å²	85	106.3 Å²	106.3	45%	0.445	56%	0.558	S	S	.	*	H	α-helix	trans	-62	-41.3	175.6	-75.4	173.3	0	0	0	112	F520 L521 I527 F528	F520-L524 HydrophobicContact CD1-CD1 3.85Å; F520-L524 HydrophobicContact CD1-CG 4.47Å; F520-L524 HydrophobicContact CE1-CD1 3.46Å; F520-L524 VanDerWaalsContact CE1-CD1 3.46Å; F520-L524 HydrophobicContact CE1-CG 4.18Å; F520-L524 HydrophobicContact CZ-CD1 4.02Å; F520-L524 HydrophobicContact CZ-CG 4.35Å; F520-L524 WeakPolarHBondContact O-CG 3.32Å; F520-L524 PolarHBondContact O-N 3.13Å; L521-L524 PolarHBondContact O-N 2.88Å; L524-I527 PolarHBondContact O-N 2.94Å; L524-F528 VanDerWaalsContact O-CB 3.31Å; L524-F528 WeakPolarHBondContact O-CB 3.34Å; L524-F528 PolarHBondContact O-N 3.43Å
525	V	77.4	Confident	71.2	Confident	84 Å²	84	105.3 Å²	105.3	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-63.8	-43.2	174.9	171.5	0	0	0	0	110.9	L521 A522 L523 I527 F528 L529	L521-V525 WeakPolarHBondContact O-CG2 3.37Å; L521-V525 PolarHBondContact O-N 3.37Å; A522-V525 PolarHBondContact O-N 3.13Å; L523-V525 VanDerWaalsContact C-N 3.34Å; L523-V525 PolarHBondContact O-N 3.29Å; V525-I527 PolarHBondContact O-N 2.94Å; V525-F528 PolarHBondContact O-N 3.48Å; V525-L529 HydrophobicContact CG1-CD1 3.88Å; V525-L529 HydrophobicContact CG1-CG 4.39Å; V525-L529 WeakPolarHBondContact O-CB 3.28Å; V525-L529 VanDerWaalsContact O-CG 3.28Å; V525-L529 WeakPolarHBondContact O-CG 3.45Å; V525-L529 PolarHBondContact O-N 2.93Å
526	A	71.1	Confident	71.3	Confident	44 Å²	44	106.3 Å²	106.3	36%	0.364	56%	0.564	S	S	.	*	H	α-helix	trans	-62.7	-41.3	176.8	0	0	0	0	0	112.3	A522 L523 L529 I530	A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.48Å; L523-A526 PolarHBondContact O-N 2.98Å; A526-L529 PolarHBondContact O-N 3.31Å; A526-I530 WeakPolarHBondContact O-CD1 3.23Å; A526-I530 VanDerWaalsContact O-CG1 3.23Å; A526-I530 WeakPolarHBondContact O-CG1 3.31Å; A526-I530 PolarHBondContact O-N 3.4Å
527	I	76.1	Confident	71.2	Confident	89 Å²	89	104 Å²	104	46%	0.456	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-43.4	175.4	-67.6	166.2	0	0	0	110.6	L523 L524 V525 L529 I530 V531	L523-I527 HydrophobicContact CG-CD1 4.08Å; L523-I527 VanDerWaalsContact O-CG1 3.31Å; L523-I527 WeakPolarHBondContact O-CG1 3.45Å; L523-I527 PolarHBondContact O-N 3.39Å; L524-I527 PolarHBondContact O-N 2.94Å; V525-I527 PolarHBondContact O-N 2.94Å; I527-L529 VanDerWaalsContact C-N 3.32Å; I527-L529 PolarHBondContact O-N 2.88Å; I527-I530 PolarHBondContact O-N 3.24Å; I527-I530 VanDerWaalsContact O-N 3.13Å; I527-V531 HydrophobicContact CG2-CG2 4.47Å; I527-V531 WeakPolarHBondContact O-CG2 3.36Å; I527-V531 PolarHBondContact O-N 3.47Å
528	F	73.3	Confident	70.9	Confident	137 Å²	137	104.6 Å²	104.6	60%	0.601	57%	0.565	S	S	*	*	H	α-helix	trans	-60.9	-39.9	177.6	-176.6	-101.3	0	0	0	112.2	L524 V525 I530 V531 L532	L524-F528 VanDerWaalsContact O-CB 3.31Å; L524-F528 WeakPolarHBondContact O-CB 3.34Å; L524-F528 PolarHBondContact O-N 3.43Å; V525-F528 PolarHBondContact O-N 3.48Å; F528-I530 VanDerWaalsContact C-N 3.28Å; F528-I530 PolarHBondContact O-N 3.4Å; F528-V531 PolarHBondContact O-N 3.28Å; F528-L532 HydrophobicContact CD1-CD1 3.87Å; F528-L532 HydrophobicContact CE1-CD1 3.32Å; F528-L532 HydrophobicContact CE2-CD1 4.42Å; F528-L532 HydrophobicContact CZ-CD1 3.64Å; F528-L532 PolarHBondContact O-N 3.36Å
529	L	63	Low	70.3	Confident	115 Å²	115	102.2 Å²	102.2	60%	0.602	56%	0.562	S	S	*	*	H	α-helix	trans	-71.7	-16.4	176.3	-71.4	170.9	0	0	0	114.3	V525 A526 I527	V525-L529 HydrophobicContact CG1-CD1 3.88Å; V525-L529 HydrophobicContact CG1-CG 4.39Å; V525-L529 WeakPolarHBondContact O-CB 3.28Å; V525-L529 VanDerWaalsContact O-CG 3.28Å; V525-L529 WeakPolarHBondContact O-CG 3.45Å; V525-L529 PolarHBondContact O-N 2.93Å; A526-L529 PolarHBondContact O-N 3.31Å; I527-L529 VanDerWaalsContact C-N 3.32Å; I527-L529 PolarHBondContact O-N 2.88Å
530	I	65.7	Low	70.2	Confident	137 Å²	137	104.2 Å²	104.2	70%	0.703	56%	0.564	S	S	*	*	H	α-helix	trans	-89.6	-23.6	175.7	-70.2	165.5	0	0	0	111.4	A526 I527 F528	A526-I530 WeakPolarHBondContact O-CD1 3.23Å; A526-I530 VanDerWaalsContact O-CG1 3.23Å; A526-I530 WeakPolarHBondContact O-CG1 3.31Å; A526-I530 PolarHBondContact O-N 3.4Å; I527-I530 PolarHBondContact O-N 3.24Å; I527-I530 VanDerWaalsContact O-N 3.13Å; F528-I530 VanDerWaalsContact C-N 3.28Å; F528-I530 PolarHBondContact O-N 3.4Å
531	V	58.8	Low	69.6	Low	122 Å²	122	102.8 Å²	102.8	74%	0.739	57%	0.567	S	S	*	*	H	α-helix	trans	-93	-16.3	-177.1	175.8	0	0	0	0	112.5	I527 F528	I527-V531 HydrophobicContact CG2-CG2 4.47Å; I527-V531 WeakPolarHBondContact O-CG2 3.36Å; I527-V531 PolarHBondContact O-N 3.47Å; F528-V531 PolarHBondContact O-N 3.28Å
532	L	42.6	Very low	68.8	Low	170 Å²	170	104.1 Å²	104.1	89%	0.89	58%	0.576	S	S	*	*			trans	-83.4	0	164.1	-87.2	160	0	0	0	110.5	F528	F528-L532 HydrophobicContact CD1-CD1 3.87Å; F528-L532 HydrophobicContact CE1-CD1 3.32Å; F528-L532 HydrophobicContact CE2-CD1 4.42Å; F528-L532 HydrophobicContact CZ-CD1 3.64Å; F528-L532 PolarHBondContact O-N 3.36Å

Retrieved 532 of 532 residues in 454.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).