A0A3Q0KTY7_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KTY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 782 aa.

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(Predicted Aligned Error values between residue pairs)

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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	43.6	Very low	81.3	Confident	210 Å²	210	65.3 Å²	65.3	100%	1.034	35%	0.346	S	S	*	.				0	96.8	0	-74	-179.4	-129.7	0	0	109.3
2	S	52.1	Low	82.3	Confident	70 Å²	70	62.3 Å²	62.3	49%	0.49	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.5	166	46.5	0	0	0	0	108.2	L27	S2-L27 CarbonylContact C-O 3.56Å
3	V	66.5	Low	82.7	Confident	77 Å²	77	58.3 Å²	58.3	47%	0.467	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-42.9	171.2	-179.5	0	0	0	0	108.4	L27 L29 T91	V3-L27 PolarHBondContact N-O 3.37Å; V3-L29 HydrophobicContact CG2-CD2 3.77Å; V3-L29 HydrophobicContact CG2-CG 3.92Å; V3-T91 HydrophobicContact CG1-CG2 4.34Å
4	T	79.8	Confident	82.9	Confident	34 Å²	34	55.2 Å²	55.2	21%	0.209	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137	-178.9	-49	0	0	0	0	109.7	V6 L27	T4-V6 HydrophobicContact CG2-CG2 4.08Å; T4-L27 PolarHBondContact N-O 3.22Å; T4-L27 PolarHBondContact O-N 3.31Å
5	Q	89.7	Confident	82.8	Confident	101 Å²	101	52.8 Å²	52.8	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.3	169.5	177.1	179.7	-29.8	0	0	108.5	N7 T24 L25	Q5-N7 PolarHBondContact NE2-OD1 3.03Å; Q5-T24 HydrophobicContact CG-CG2 3.53Å; Q5-L25 WeakPolarHBondContact CA-O 3.08Å
6	V	92.5	Very high	82.8	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.7	176	-173.9	0	0	0	0	108.8	T4 V9 L25 V79 D84 V88	T4-V6 HydrophobicContact CG2-CG2 4.08Å; V6-V9 HydrophobicContact CB-CG2 3.96Å; V6-V9 HydrophobicContact CG1-CG2 3.61Å; V6-L25 PolarHBondContact N-O 2.94Å; V6-L25 PolarHBondContact O-N 2.87Å; V6-V79 HydrophobicContact CG1-CG1 3.94Å; V6-D84 HydrophobicContact CG1-CB 3.8Å; V6-D84 HydrophobicContact CG2-CB 4.38Å; V6-V88 HydrophobicContact CB-CG2 4.46Å; V6-V88 HydrophobicContact CG2-CG2 3.5Å
7	N	92.7	Very high	82.6	Confident	89 Å²	89	55.6 Å²	55.6	48%	0.476	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	161.5	175.5	-60.5	-31.3	0	0	0	110.2	Q5 V9 T24	Q5-N7 PolarHBondContact NE2-OD1 3.03Å; N7-V9 VanDerWaalsContact C-N 3.3Å; N7-V9 PolarHBondContact O-N 3.38Å; N7-T24 VanDerWaalsContact OD1-CG2 3.26Å; N7-T24 WeakPolarHBondContact OD1-CG2 3.34Å
8	D	91.6	Very high	82.7	Confident	59 Å²	59	57.1 Å²	57.1	32%	0.316	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.2	37.7	174.8	-57.9	-38.7	0	0	0	114.5	R22 G23 L80	D8-R22 IonicContact OD1-CZ 2.65Å; D8-R22 IonicContact OD1-NE 3.95Å; D8-R22 PolarHBondContact OD1-NE 2.95Å; D8-R22 IonicContact OD1-NH2 3.05Å; D8-R22 PolarHBondContact OD1-NH2 3.4Å; D8-R22 IonicContact OD2-NH2 3.94Å; D8-R22 PolarHBondContact OD2-NH2 3.19Å; D8-G23 PolarHBondContact N-O 3.3Å; D8-G23 VanDerWaalsContact N-O 3.12Å; D8-L80 HydrophobicContact CB-CD1 3.82Å; D8-L80 WeakPolarHBondContact O-CG 3.48Å
9	V	95.2	Very high	83	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.9	169.7	-178.9	0	0	0	0	108.7	V6 N7 G23 L25 F34 L77 V79	V6-V9 HydrophobicContact CB-CG2 3.96Å; V6-V9 HydrophobicContact CG1-CG2 3.61Å; N7-V9 VanDerWaalsContact C-N 3.3Å; N7-V9 PolarHBondContact O-N 3.38Å; V9-G23 PolarHBondContact N-O 3.08Å; V9-G23 PolarHBondContact O-N 3.32Å; V9-L25 HydrophobicContact CB-CB 4.22Å; V9-L25 HydrophobicContact CG1-CB 4.41Å; V9-L25 HydrophobicContact CG2-CB 3.83Å; V9-F34 HydrophobicContact CB-CE2 4.4Å; V9-F34 WeakPolarHBondContact O-CE2 3.26Å; V9-L77 HydrophobicContact CG1-CB 4Å; V9-L77 HydrophobicContact CG1-CD2 4.04Å; V9-L77 HydrophobicContact CG1-CG 4.41Å; V9-V79 HydrophobicContact CG1-CG2 4.12Å; V9-V79 HydrophobicContact CG2-CG1 4.47Å; V9-V79 HydrophobicContact CG2-CG2 4.14Å
10	F	96	Very high	83.4	Confident	45 Å²	45	58.8 Å²	58.8	20%	0.197	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.3	172.3	-67.2	-89.6	0	0	0	110	H20 I21 R22 L77 V78 L80	F10-H20 HydrophobicContact CD1-CB 3.93Å; F10-I21 CarbonylContact C-O 3.56Å; F10-I21 WeakPolarHBondContact CA-O 3.27Å; F10-R22 HydrophobicContact CD1-CB 3.98Å; F10-R22 HydrophobicContact CE1-CB 3.69Å; F10-R22 HydrophobicContact CE1-CG 4.08Å; F10-R22 HydrophobicContact CZ-CB 4.29Å; F10-R22 HydrophobicContact CZ-CG 4.17Å; F10-L77 CarbonylContact O-C 3.59Å; F10-L77 VanDerWaalsContact O-CA 3.24Å; F10-L77 WeakPolarHBondContact O-CA 3.13Å; F10-V78 HydrophobicContact CB-CB 4.27Å; F10-V78 PolarHBondContact N-O 3.02Å; F10-V78 PolarHBondContact O-N 3.38Å; F10-L80 HydrophobicContact CD2-CD2 4.28Å; F10-L80 HydrophobicContact CD2-CG 4.39Å; F10-L80 HydrophobicContact CE2-CD1 4.12Å; F10-L80 HydrophobicContact CE2-CD2 3.78Å; F10-L80 HydrophobicContact CE2-CG 3.96Å
11	Y	95	Very high	83.9	Confident	26 Å²	26	56.9 Å²	56.9	10%	0.102	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.5	162	171.1	-106.4	0	0	0	108.9	D13 I21 F34 I43 I75 L77	Y11-D13 HydrophobicContact CD1-CB 4.26Å; Y11-D13 HydrophobicContact CE1-CB 3.69Å; Y11-I21 HydrophobicContact CD1-CD1 4.16Å; Y11-I21 PolarHBondContact N-O 2.88Å; Y11-I21 PolarHBondContact O-N 3.19Å; Y11-F34 HydrophobicContact CG-CD1 4.42Å; Y11-F34 HydrophobicContact CG-CE1 4.34Å; Y11-I43 HydrophobicContact CD1-CD1 3.66Å; Y11-I43 HydrophobicContact CD2-CD1 3.56Å; Y11-I43 HydrophobicContact CE1-CD1 3.49Å; Y11-I43 VanDerWaalsContact CE1-CD1 3.49Å; Y11-I43 HydrophobicContact CE2-CD1 3.38Å; Y11-I43 HydrophobicContact CG-CD1 3.7Å; Y11-I75 HydrophobicContact CD2-CG2 3.92Å; Y11-I75 HydrophobicContact CE2-CG2 3.96Å; Y11-L77 HydrophobicContact CD2-CD2 4.15Å
12	I	92.9	Very high	86.4	Confident	30 Å²	30	52.3 Å²	52.3	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	107	175	-58.2	175.5	0	0	0	107.9	Q14 N18 R76 V78	I12-Q14 PolarHBondContact O-N 3.19Å; I12-N18 HydrophobicContact CG2-CB 3.94Å; I12-R76 HydrophobicContact CB-CB 4.03Å; I12-R76 PolarHBondContact N-O 3.36Å; I12-V78 HydrophobicContact CD1-CG2 3.57Å; I12-V78 HydrophobicContact CG1-CG2 4.18Å
13	D	87.6	Confident	88.4	Confident	10 Å²	10	49 Å²	49	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	98.1	173.3	-167.7	-21.3	0	0	0	110.1	Y11 F15 D16 N18 A19 I21 W546	Y11-D13 HydrophobicContact CD1-CB 4.26Å; Y11-D13 HydrophobicContact CE1-CB 3.69Å; D13-F15 PolarHBondContact O-N 3.1Å; D13-F15 VanDerWaalsContact O-N 3.15Å; D13-F15 WeakPolarHBondContact OD1-CA 3.36Å; D13-F15 WeakPolarHBondContact OD1-CB 3.42Å; D13-F15 PolarHBondContact OD1-N 3.38Å; D13-D16 HydrophobicContact CB-CB 3.96Å; D13-D16 PolarHBondContact O-N 3.42Å; D13-D16 PolarHBondContact OD1-N 3.1Å; D13-N18 CarbonylContact O-C 3.55Å; D13-N18 WeakPolarHBondContact O-CA 3.36Å; D13-N18 PolarHBondContact O-N 3.5Å; D13-A19 PolarHBondContact N-O 3.24Å; D13-A19 PolarHBondContact O-N 3.01Å; D13-I21 HydrophobicContact CB-CD1 4.11Å; D13-W546 PolarHBondContact OD1-NE1 2.68Å; D13-W546 PolarHBondContact OD2-NE1 3.41Å
14	Q	84.9	Confident	89.8	Confident	15 Å²	15	46.5 Å²	46.5	7%	0.07	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	179.3	68.5	-177.4	17.2	0	0	113.2	I12 N18 R286 P288	I12-Q14 PolarHBondContact O-N 3.19Å; Q14-N18 WeakPolarHBondContact CA-OD1 3.37Å; Q14-R286 PolarHBondContact NE2-O 2.97Å; Q14-P288 HydrophobicContact CB-CG 4.13Å; Q14-P288 HydrophobicContact CG-CG 4.36Å; Q14-P288 WeakPolarHBondContact O-CB 3.42Å; Q14-P288 WeakPolarHBondContact O-CG 3.48Å
15	F	82.2	Confident	90.6	Very high	19 Å²	19	45 Å²	45	8%	0.083	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-26.6	-178.2	-57.7	-65.2	0	0	0	112.1	D13 G17 P288 W544 E545 R547	D13-F15 PolarHBondContact O-N 3.1Å; D13-F15 VanDerWaalsContact O-N 3.15Å; D13-F15 WeakPolarHBondContact OD1-CA 3.36Å; D13-F15 WeakPolarHBondContact OD1-CB 3.42Å; D13-F15 PolarHBondContact OD1-N 3.38Å; F15-G17 VanDerWaalsContact C-N 3.31Å; F15-G17 PolarHBondContact O-N 3.4Å; F15-P288 HydrophobicContact CD1-CB 3.72Å; F15-P288 HydrophobicContact CE1-CB 4.14Å; F15-W544 WeakPolarHBondContact CE2-O 3.11Å; F15-E545 WeakPolarHBondContact CB-OE2 3.07Å; F15-E545 HydrophobicContact CD1-CB 4.38Å; F15-E545 HydrophobicContact CD1-CG 4.21Å; F15-E545 WeakPolarHBondContact CD1-OE1 3.45Å; F15-E545 WeakPolarHBondContact CD1-OE2 3.4Å; F15-E545 HydrophobicContact CE1-CB 3.91Å; F15-E545 VanDerWaalsContact CE1-CD 3.47Å; F15-E545 HydrophobicContact CE1-CG 4.09Å; F15-E545 HydrophobicContact CE2-CB 4.35Å; F15-E545 WeakPolarHBondContact CG-OE2 3.14Å; F15-E545 HydrophobicContact CZ-CB 3.87Å; F15-R547 HydrophobicContact CB-CG 4.36Å; F15-R547 VanDerWaalsContact O-CD 3.24Å; F15-R547 WeakPolarHBondContact O-CD 3.33Å; F15-R547 VanDerWaalsContact O-CZ 3.31Å; F15-R547 PolarHBondContact O-NE 3.37Å; F15-R547 PolarHBondContact O-NH1 3.13Å
16	D	82.1	Confident	90.8	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	46.6	173	-159.7	17.7	0	0	0	112.8	D13 N18 A19 W546	D13-D16 HydrophobicContact CB-CB 3.96Å; D13-D16 PolarHBondContact O-N 3.42Å; D13-D16 PolarHBondContact OD1-N 3.1Å; D16-N18 PolarHBondContact O-N 2.69Å; D16-A19 HydrophobicContact CB-CB 3.9Å; D16-A19 VanDerWaalsContact O-CB 3.3Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.49Å; D16-W546 HydrophobicContact CB-CZ2 3.91Å
17	G	80.1	Confident	90.8	Very high	69 Å²	69	41.2 Å²	41.2	71%	0.711	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	27.7	179.6	0	0	0	0	0	114.6	F15	F15-G17 VanDerWaalsContact C-N 3.31Å; F15-G17 PolarHBondContact O-N 3.4Å
18	N	84.2	Confident	90.6	Very high	82 Å²	82	37.6 Å²	37.6	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	35.4	-170.7	-55.5	-60.6	0	0	0	113.5	I12 D13 Q14 D16 H20	I12-N18 HydrophobicContact CG2-CB 3.94Å; D13-N18 CarbonylContact O-C 3.55Å; D13-N18 WeakPolarHBondContact O-CA 3.36Å; D13-N18 PolarHBondContact O-N 3.5Å; Q14-N18 WeakPolarHBondContact CA-OD1 3.37Å; D16-N18 PolarHBondContact O-N 2.69Å; N18-H20 PolarHBondContact O-CD2 3.43Å; N18-H20 VanDerWaalsContact O-CD2 3.24Å; N18-H20 PolarHBondContact O-N 3.28Å
19	A	87.8	Confident	90.2	Very high	31 Å²	31	39.1 Å²	39.1	26%	0.256	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	133.4	175.4	0	0	0	0	0	111.5	D13 D16 I21	D13-A19 PolarHBondContact N-O 3.24Å; D13-A19 PolarHBondContact O-N 3.01Å; D16-A19 HydrophobicContact CB-CB 3.9Å; D16-A19 VanDerWaalsContact O-CB 3.3Å; D16-A19 WeakPolarHBondContact O-CB 3.32Å; D16-A19 PolarHBondContact O-N 3.49Å; A19-I21 PolarHBondContact O-N 2.91Å
20	H	92.3	Very high	89.5	Confident	117 Å²	117	42.6 Å²	42.6	54%	0.542	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	102	176.7	-77.8	-113.5	0	0	0	109.8	F10 N18	F10-H20 HydrophobicContact CD1-CB 3.93Å; N18-H20 PolarHBondContact O-CD2 3.43Å; N18-H20 VanDerWaalsContact O-CD2 3.24Å; N18-H20 PolarHBondContact O-N 3.28Å
21	I	93.2	Very high	89.1	Confident	20 Å²	20	41.7 Å²	41.7	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.1	-179.2	-60.3	170.4	0	0	0	108.3	F10 Y11 D13 A19 F34 Q41	F10-I21 CarbonylContact C-O 3.56Å; F10-I21 WeakPolarHBondContact CA-O 3.27Å; Y11-I21 HydrophobicContact CD1-CD1 4.16Å; Y11-I21 PolarHBondContact N-O 2.88Å; Y11-I21 PolarHBondContact O-N 3.19Å; D13-I21 HydrophobicContact CB-CD1 4.11Å; A19-I21 PolarHBondContact O-N 2.91Å; I21-F34 HydrophobicContact CG2-CE1 4.17Å; I21-F34 HydrophobicContact CG2-CZ 4.35Å; I21-F34 VanDerWaalsContact O-CZ 3.32Å; I21-F34 WeakPolarHBondContact O-CZ 3.33Å; I21-Q41 HydrophobicContact CD1-CG 3.86Å; I21-Q41 HydrophobicContact CG2-CB 4.46Å
22	R	95.6	Very high	89.1	Confident	114 Å²	114	40.7 Å²	40.7	43%	0.43	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.9	176.1	-170.1	176.2	175.2	174.6	0.6	110.5	D8 F10 L37	D8-R22 IonicContact OD1-CZ 2.65Å; D8-R22 IonicContact OD1-NE 3.95Å; D8-R22 PolarHBondContact OD1-NE 2.95Å; D8-R22 IonicContact OD1-NH2 3.05Å; D8-R22 PolarHBondContact OD1-NH2 3.4Å; D8-R22 IonicContact OD2-NH2 3.94Å; D8-R22 PolarHBondContact OD2-NH2 3.19Å; F10-R22 HydrophobicContact CD1-CB 3.98Å; F10-R22 HydrophobicContact CE1-CB 3.69Å; F10-R22 HydrophobicContact CE1-CG 4.08Å; F10-R22 HydrophobicContact CZ-CB 4.29Å; F10-R22 HydrophobicContact CZ-CG 4.17Å; R22-L37 HydrophobicContact CB-CD1 3.97Å; R22-L37 HydrophobicContact CB-CG 4.48Å; R22-L37 HydrophobicContact CG-CD1 3.74Å; R22-L37 HydrophobicContact CG-CG 4.36Å; R22-L37 WeakPolarHBondContact O-CG 3.35Å; R22-L37 PolarHBondContact O-N 2.92Å
23	G	95.6	Very high	89.1	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-163	-180	0	0	0	0	0	113.2	D8 V9 L35	D8-G23 PolarHBondContact N-O 3.3Å; D8-G23 VanDerWaalsContact N-O 3.12Å; V9-G23 PolarHBondContact N-O 3.08Å; V9-G23 PolarHBondContact O-N 3.32Å; G23-L35 CarbonylContact C-O 3.5Å; G23-L35 WeakPolarHBondContact CA-O 3.4Å
24	T	95.6	Very high	89.4	Confident	24 Å²	24	40.5 Å²	40.5	15%	0.147	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.6	178.4	-54.1	0	0	0	0	109.5	Q5 N7 H26 F34 L35	Q5-T24 HydrophobicContact CG-CG2 3.53Å; N7-T24 VanDerWaalsContact OD1-CG2 3.26Å; N7-T24 WeakPolarHBondContact OD1-CG2 3.34Å; T24-H26 VanDerWaalsContact CG2-NE2 3.31Å; T24-H26 WeakPolarHBondContact CG2-NE2 3.37Å; T24-F34 WeakPolarHBondContact O-CA 3.46Å; T24-L35 PolarHBondContact N-O 3.36Å; T24-L35 PolarHBondContact O-N 3.24Å
25	L	95.8	Very high	89.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127	173.1	-172	71.8	0	0	0	109.4	Q5 V6 V9 L27 I32 F34 L77 V88	Q5-L25 WeakPolarHBondContact CA-O 3.08Å; V6-L25 PolarHBondContact N-O 2.94Å; V6-L25 PolarHBondContact O-N 2.87Å; V9-L25 HydrophobicContact CB-CB 4.22Å; V9-L25 HydrophobicContact CG1-CB 4.41Å; V9-L25 HydrophobicContact CG2-CB 3.83Å; L25-L27 HydrophobicContact CD2-CD1 3.86Å; L25-L27 HydrophobicContact CG-CD1 3.9Å; L25-I32 HydrophobicContact CD1-CD1 3.74Å; L25-I32 HydrophobicContact CD1-CG1 3.83Å; L25-I32 HydrophobicContact CD2-CD1 4.23Å; L25-I32 HydrophobicContact CG-CD1 4.2Å; L25-I32 HydrophobicContact CG-CG1 4.35Å; L25-F34 HydrophobicContact CD1-CB 4.14Å; L25-L77 HydrophobicContact CD1-CD1 3.73Å; L25-L77 HydrophobicContact CD2-CD1 3.83Å; L25-L77 HydrophobicContact CG-CD1 4.42Å; L25-V88 HydrophobicContact CD2-CG1 3.85Å; L25-V88 HydrophobicContact CD2-CG2 4.15Å
26	H	94	Very high	90.5	Very high	29 Å²	29	40.9 Å²	40.9	13%	0.134	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.4	178.1	-63.2	-93.8	0	0	0	109.6	T24 I32 F33	T24-H26 VanDerWaalsContact CG2-NE2 3.31Å; T24-H26 WeakPolarHBondContact CG2-NE2 3.37Å; H26-I32 WeakPolarHBondContact O-CA 3.43Å; H26-I32 WeakPolarHBondContact O-CG1 3.31Å; H26-F33 HydrophobicContact CB-CD1 3.57Å; H26-F33 HydrophobicContact CB-CD2 4.03Å; H26-F33 HydrophobicContact CB-CE1 3.2Å; H26-F33 HydrophobicContact CB-CE2 3.66Å; H26-F33 HydrophobicContact CB-CG 4.01Å; H26-F33 HydrophobicContact CB-CZ 3.24Å; H26-F33 AromaticContact CD2-CD2 3.83Å; H26-F33 AromaticContact CD2-CE2 3.22Å; H26-F33 WeakPolarHBondContact CD2-CE2 3.29Å; H26-F33 AromaticContact CD2-CZ 3.58Å; H26-F33 AromaticContact CG-CE1 3.85Å; H26-F33 AromaticContact CG-CE2 3.48Å; H26-F33 VanDerWaalsContact CG-CE2 3.48Å; H26-F33 AromaticContact CG-CZ 3.3Å; H26-F33 PolarHBondContact N-O 3.04Å; H26-F33 AromaticContact ND1-CZ 3.89Å; H26-F33 AromaticContact NE2-CE2 3.95Å; H26-F33 PolarHBondContact O-N 2.91Å
27	L	92	Very high	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	174.2	-70.9	77.9	0	0	0	108.4	S2 V3 T4 L25 I32 V88 T91 L92	S2-L27 CarbonylContact C-O 3.56Å; V3-L27 PolarHBondContact N-O 3.37Å; T4-L27 PolarHBondContact N-O 3.22Å; T4-L27 PolarHBondContact O-N 3.31Å; L25-L27 HydrophobicContact CD2-CD1 3.86Å; L25-L27 HydrophobicContact CG-CD1 3.9Å; L27-I32 HydrophobicContact CG-CD1 4.39Å; L27-I32 HydrophobicContact CG-CG1 4.27Å; L27-V88 HydrophobicContact CD1-CG1 4.29Å; L27-V88 HydrophobicContact CD1-CG2 4.05Å; L27-V88 HydrophobicContact CD2-CG1 4.16Å; L27-T91 HydrophobicContact CD2-CG2 3.86Å; L27-L92 HydrophobicContact CD2-CD2 3.8Å; L27-L92 HydrophobicContact CD2-CG 3.78Å; L27-L92 HydrophobicContact CG-CD2 4.32Å
28	T	88.4	Confident	91.3	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	175.3	171.9	77.1	0	0	0	0	109.8	T30 H31 F33 N47	T28-T30 PolarHBondContact O-N 3.06Å; T28-T30 PolarHBondContact OG1-N 2.94Å; T28-H31 PolarHBondContact N-O 2.88Å; T28-H31 PolarHBondContact OG1-CE1 3.35Å; T28-H31 PolarHBondContact OG1-N 3.17Å; T28-H31 PolarHBondContact OG1-ND1 3.16Å; T28-H31 VanDerWaalsContact OG1-ND1 3.12Å; T28-H31 PolarHBondContact OG1-NE2 3.15Å; T28-H31 PolarHBondContact OG1-O 2.92Å; T28-F33 HydrophobicContact CG2-CE1 4.15Å; T28-N47 PolarHBondContact O-ND2 2.88Å
29	L	82.8	Confident	91.4	Very high	90 Å²	90	47.8 Å²	47.8	47%	0.471	24%	0.238	S	C	.	.	S	Bend	trans	-65.7	-27.3	174.9	-65.6	175.2	0	0	0	112.7	V3 N47 L95	V3-L29 HydrophobicContact CG2-CD2 3.77Å; V3-L29 HydrophobicContact CG2-CG 3.92Å; L29-N47 PolarHBondContact O-ND2 3.39Å; L29-L95 HydrophobicContact CD2-CD2 4.12Å
30	T	81.3	Confident	91.2	Very high	73 Å²	73	54.8 Å²	54.8	45%	0.448	26%	0.262	S	S	.	.	S	Bend	trans	-105.2	-29	-173.9	56.5	0	0	0	0	113.7	T28 N47	T28-T30 PolarHBondContact O-N 3.06Å; T28-T30 PolarHBondContact OG1-N 2.94Å; T30-N47 PolarHBondContact O-N 3.39Å
31	H	88.6	Confident	90.9	Very high	27 Å²	27	52.1 Å²	52.1	13%	0.125	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.3	-175	57.7	-79.9	0	0	0	112.7	T28 F33 W44 L45 N47	T28-H31 PolarHBondContact N-O 2.88Å; T28-H31 PolarHBondContact OG1-CE1 3.35Å; T28-H31 PolarHBondContact OG1-N 3.17Å; T28-H31 PolarHBondContact OG1-ND1 3.16Å; T28-H31 VanDerWaalsContact OG1-ND1 3.12Å; T28-H31 PolarHBondContact OG1-NE2 3.15Å; T28-H31 PolarHBondContact OG1-O 2.92Å; H31-F33 AromaticContact CD2-CD1 3.49Å; H31-F33 VanDerWaalsContact CD2-CD1 3.49Å; H31-F33 WeakPolarHBondContact CD2-CD1 3.38Å; H31-F33 AromaticContact NE2-CD1 3.56Å; H31-F33 AromaticContact NE2-CE1 3.75Å; H31-W44 AromaticContact CD2-CE3 3.35Å; H31-W44 AromaticContact CD2-CZ3 3.19Å; H31-W44 WeakPolarHBondContact CD2-CZ3 3.44Å; H31-W44 AromaticContact CE1-CZ3 3.85Å; H31-W44 AromaticContact NE2-CE3 3.85Å; H31-W44 AromaticContact NE2-CH2 3.91Å; H31-W44 AromaticContact NE2-CZ3 3.13Å; H31-W44 WeakPolarHBondContact NE2-CZ3 3.37Å; H31-L45 WeakPolarHBondContact CA-O 3.49Å; H31-N47 VanDerWaalsContact C-OD1 3.23Å; H31-N47 WeakPolarHBondContact CA-OD1 3.35Å; H31-N47 PolarHBondContact N-ND2 2.63Å
32	I	93.1	Very high	90.8	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.3	162.9	-171.3	177.4	0	0	0	108.4	L25 H26 L27 L45 N47 I50 I67 L92	L25-I32 HydrophobicContact CD1-CD1 3.74Å; L25-I32 HydrophobicContact CD1-CG1 3.83Å; L25-I32 HydrophobicContact CD2-CD1 4.23Å; L25-I32 HydrophobicContact CG-CD1 4.2Å; L25-I32 HydrophobicContact CG-CG1 4.35Å; H26-I32 WeakPolarHBondContact O-CA 3.43Å; H26-I32 WeakPolarHBondContact O-CG1 3.31Å; L27-I32 HydrophobicContact CG-CD1 4.39Å; L27-I32 HydrophobicContact CG-CG1 4.27Å; I32-L45 HydrophobicContact CG2-CB 3.83Å; I32-L45 HydrophobicContact CG2-CG 4.35Å; I32-L45 WeakPolarHBondContact CG2-O 3.38Å; I32-L45 PolarHBondContact N-O 3.3Å; I32-L45 PolarHBondContact O-N 3.32Å; I32-N47 PolarHBondContact N-OD1 3.32Å; I32-I50 HydrophobicContact CG2-CD1 4.16Å; I32-I67 HydrophobicContact CD1-CD1 3.47Å; I32-I67 VanDerWaalsContact CD1-CD1 3.47Å; I32-L92 HydrophobicContact CB-CD2 4.48Å; I32-L92 HydrophobicContact CD1-CD1 3.94Å; I32-L92 HydrophobicContact CD1-CD2 4.17Å
33	F	93.5	Very high	90.6	Very high	34 Å²	34	52.4 Å²	52.4	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.3	170.8	70.5	-83.6	0	0	0	112.8	H26 T28 H31 I43 W44	H26-F33 HydrophobicContact CB-CD1 3.57Å; H26-F33 HydrophobicContact CB-CD2 4.03Å; H26-F33 HydrophobicContact CB-CE1 3.2Å; H26-F33 HydrophobicContact CB-CE2 3.66Å; H26-F33 HydrophobicContact CB-CG 4.01Å; H26-F33 HydrophobicContact CB-CZ 3.24Å; H26-F33 AromaticContact CD2-CD2 3.83Å; H26-F33 AromaticContact CD2-CE2 3.22Å; H26-F33 WeakPolarHBondContact CD2-CE2 3.29Å; H26-F33 AromaticContact CD2-CZ 3.58Å; H26-F33 AromaticContact CG-CE1 3.85Å; H26-F33 AromaticContact CG-CE2 3.48Å; H26-F33 VanDerWaalsContact CG-CE2 3.48Å; H26-F33 AromaticContact CG-CZ 3.3Å; H26-F33 PolarHBondContact N-O 3.04Å; H26-F33 AromaticContact ND1-CZ 3.89Å; H26-F33 AromaticContact NE2-CE2 3.95Å; H26-F33 PolarHBondContact O-N 2.91Å; T28-F33 HydrophobicContact CG2-CE1 4.15Å; H31-F33 AromaticContact CD2-CD1 3.49Å; H31-F33 VanDerWaalsContact CD2-CD1 3.49Å; H31-F33 WeakPolarHBondContact CD2-CD1 3.38Å; H31-F33 AromaticContact NE2-CD1 3.56Å; H31-F33 AromaticContact NE2-CE1 3.75Å; F33-I43 CarbonylContact C-O 3.49Å; F33-I43 WeakPolarHBondContact CA-O 3.47Å; F33-I43 WeakPolarHBondContact CB-O 3.3Å; F33-W44 HydrophobicContact CB-CD2 3.72Å; F33-W44 HydrophobicContact CB-CE3 4Å; F33-W44 HydrophobicContact CB-CG 4.04Å; F33-W44 HydrophobicContact CB-CZ2 4.39Å; F33-W44 HydrophobicContact CB-CZ3 4.48Å; F33-W44 HydrophobicContact CD1-CE3 4.46Å; F33-W44 HydrophobicContact CD1-CH2 4.16Å; F33-W44 HydrophobicContact CD1-CZ3 4.16Å; F33-W44 HydrophobicContact CD2-CH2 4.49Å; F33-W44 HydrophobicContact CD2-CZ2 4.12Å; F33-W44 HydrophobicContact CE1-CH2 4.34Å; F33-W44 HydrophobicContact CE2-CZ2 4.5Å; F33-W44 HydrophobicContact CG-CD2 4.3Å; F33-W44 HydrophobicContact CG-CE3 4.37Å; F33-W44 HydrophobicContact CG-CH2 4.2Å; F33-W44 HydrophobicContact CG-CZ2 4.12Å; F33-W44 HydrophobicContact CG-CZ3 4.36Å
34	F	95.2	Very high	90.4	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131	174.6	172	-92.6	0	0	0	109.5	V9 Y11 I21 T24 L25 E42 I43 L77	V9-F34 HydrophobicContact CB-CE2 4.4Å; V9-F34 WeakPolarHBondContact O-CE2 3.26Å; Y11-F34 HydrophobicContact CG-CD1 4.42Å; Y11-F34 HydrophobicContact CG-CE1 4.34Å; I21-F34 HydrophobicContact CG2-CE1 4.17Å; I21-F34 HydrophobicContact CG2-CZ 4.35Å; I21-F34 VanDerWaalsContact O-CZ 3.32Å; I21-F34 WeakPolarHBondContact O-CZ 3.33Å; T24-F34 WeakPolarHBondContact O-CA 3.46Å; L25-F34 HydrophobicContact CD1-CB 4.14Å; F34-E42 WeakPolarHBondContact O-CA 3.47Å; F34-I43 HydrophobicContact CB-CB 4.36Å; F34-I43 HydrophobicContact CD1-CD1 4.25Å; F34-I43 PolarHBondContact N-O 3.36Å; F34-I43 PolarHBondContact O-N 2.82Å; F34-L77 HydrophobicContact CD2-CD2 4.41Å
35	L	94.8	Very high	90.3	Very high	41 Å²	41	56 Å²	56	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.5	176.2	-175.4	67.8	0	0	0	109.8	G23 T24 R39 E42	G23-L35 CarbonylContact C-O 3.5Å; G23-L35 WeakPolarHBondContact CA-O 3.4Å; T24-L35 PolarHBondContact N-O 3.36Å; T24-L35 PolarHBondContact O-N 3.24Å; L35-R39 HydrophobicContact CD1-CB 4.48Å; L35-R39 HydrophobicContact CD1-CG 4.33Å; L35-E42 HydrophobicContact CD1-CB 4.36Å; L35-E42 HydrophobicContact CD1-CG 4.06Å
36	G	93.8	Very high	90	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	149.1	174.2	0	0	0	0	0	111.7	S38 R39 Q41	G36-S38 PolarHBondContact O-N 3.31Å; G36-R39 WeakPolarHBondContact O-CA 3.36Å; G36-R39 PolarHBondContact O-N 3.11Å; G36-Q41 PolarHBondContact N-O 3.21Å
37	L	92.2	Very high	89.7	Confident	113 Å²	113	57.1 Å²	57.1	59%	0.592	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32	-179.8	-70.7	178.3	0	0	0	113.1	R22 R39	R22-L37 HydrophobicContact CB-CD1 3.97Å; R22-L37 HydrophobicContact CB-CG 4.48Å; R22-L37 HydrophobicContact CG-CD1 3.74Å; R22-L37 HydrophobicContact CG-CG 4.36Å; R22-L37 WeakPolarHBondContact O-CG 3.35Å; R22-L37 PolarHBondContact O-N 2.92Å; L37-R39 PolarHBondContact O-N 2.92Å
38	S	88.2	Confident	89.4	Confident	71 Å²	71	58.7 Å²	58.7	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.4	175.3	68.2	0	0	0	0	113.6	G36 K40 Q41	G36-S38 PolarHBondContact O-N 3.31Å; S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.09Å; S38-K40 WeakPolarHBondContact OG-CB 3.42Å; S38-K40 PolarHBondContact OG-N 2.95Å; S38-Q41 PolarHBondContact OG-OE1 3.5Å; S38-Q41 VanDerWaalsContact OG-OE1 3.06Å
39	R	85.8	Confident	89.6	Confident	196 Å²	196	58.5 Å²	58.5	74%	0.74	28%	0.283	S	S	*	.	S	Bend	trans	54.7	13.5	-167.5	-58.4	-169.9	175	-169.6	-1.7	115.2	L35 G36 L37	L35-R39 HydrophobicContact CD1-CB 4.48Å; L35-R39 HydrophobicContact CD1-CG 4.33Å; G36-R39 WeakPolarHBondContact O-CA 3.36Å; G36-R39 PolarHBondContact O-N 3.11Å; L37-R39 PolarHBondContact O-N 2.92Å
40	K	83.4	Confident	90	Very high	177 Å²	177	54.5 Å²	54.5	77%	0.77	26%	0.262	S	S	*	.	S	Bend	trans	-81.9	-25.9	174.3	-66	-176.5	176.7	-177.6	0	112.5	S38	S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.09Å; S38-K40 WeakPolarHBondContact OG-CB 3.42Å; S38-K40 PolarHBondContact OG-N 2.95Å
41	Q	85.7	Confident	90.5	Very high	61 Å²	61	54.6 Å²	54.6	29%	0.285	27%	0.265	S	S	.	.			trans	-111.7	117.7	178.4	-65.8	87	8.2	0	0	109.6	I21 G36 S38	I21-Q41 HydrophobicContact CD1-CG 3.86Å; I21-Q41 HydrophobicContact CG2-CB 4.46Å; G36-Q41 PolarHBondContact N-O 3.21Å; S38-Q41 PolarHBondContact OG-OE1 3.5Å; S38-Q41 VanDerWaalsContact OG-OE1 3.06Å
42	E	91.2	Very high	90.7	Very high	111 Å²	111	55.5 Å²	55.5	52%	0.519	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117.8	177.9	-164	-177.2	-179.7	0	0	107.8	F34 L35 W44	F34-E42 WeakPolarHBondContact O-CA 3.47Å; L35-E42 HydrophobicContact CD1-CB 4.36Å; L35-E42 HydrophobicContact CD1-CG 4.06Å; E42-W44 VanDerWaalsContact OE1-CE2 3.3Å; E42-W44 WeakPolarHBondContact OE1-CZ2 3.33Å; E42-W44 PolarHBondContact OE1-NE1 2.88Å
43	I	91.3	Very high	90.7	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.154	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.1	-172.7	-55.8	173.3	0	0	0	108	Y11 F33 F34 I75	Y11-I43 HydrophobicContact CD1-CD1 3.66Å; Y11-I43 HydrophobicContact CD2-CD1 3.56Å; Y11-I43 HydrophobicContact CE1-CD1 3.49Å; Y11-I43 VanDerWaalsContact CE1-CD1 3.49Å; Y11-I43 HydrophobicContact CE2-CD1 3.38Å; Y11-I43 HydrophobicContact CG-CD1 3.7Å; F33-I43 CarbonylContact C-O 3.49Å; F33-I43 WeakPolarHBondContact CA-O 3.47Å; F33-I43 WeakPolarHBondContact CB-O 3.3Å; F34-I43 HydrophobicContact CB-CB 4.36Å; F34-I43 HydrophobicContact CD1-CD1 4.25Å; F34-I43 PolarHBondContact N-O 3.36Å; F34-I43 PolarHBondContact O-N 2.82Å; I43-I75 HydrophobicContact CG2-CD1 3.76Å; I43-I75 HydrophobicContact CG2-CG1 4.21Å
44	W	92	Very high	90.8	Very high	99 Å²	99	58.2 Å²	58.2	38%	0.375	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.6	179.8	-69.3	76.1	0	0	0	110.9	H31 F33 E42 R73	H31-W44 AromaticContact CD2-CE3 3.35Å; H31-W44 AromaticContact CD2-CZ3 3.19Å; H31-W44 WeakPolarHBondContact CD2-CZ3 3.44Å; H31-W44 AromaticContact CE1-CZ3 3.85Å; H31-W44 AromaticContact NE2-CE3 3.85Å; H31-W44 AromaticContact NE2-CH2 3.91Å; H31-W44 AromaticContact NE2-CZ3 3.13Å; H31-W44 WeakPolarHBondContact NE2-CZ3 3.37Å; F33-W44 HydrophobicContact CB-CD2 3.72Å; F33-W44 HydrophobicContact CB-CE3 4Å; F33-W44 HydrophobicContact CB-CG 4.04Å; F33-W44 HydrophobicContact CB-CZ2 4.39Å; F33-W44 HydrophobicContact CB-CZ3 4.48Å; F33-W44 HydrophobicContact CD1-CE3 4.46Å; F33-W44 HydrophobicContact CD1-CH2 4.16Å; F33-W44 HydrophobicContact CD1-CZ3 4.16Å; F33-W44 HydrophobicContact CD2-CH2 4.49Å; F33-W44 HydrophobicContact CD2-CZ2 4.12Å; F33-W44 HydrophobicContact CE1-CH2 4.34Å; F33-W44 HydrophobicContact CE2-CZ2 4.5Å; F33-W44 HydrophobicContact CG-CD2 4.3Å; F33-W44 HydrophobicContact CG-CE3 4.37Å; F33-W44 HydrophobicContact CG-CH2 4.2Å; F33-W44 HydrophobicContact CG-CZ2 4.12Å; F33-W44 HydrophobicContact CG-CZ3 4.36Å; E42-W44 VanDerWaalsContact OE1-CE2 3.3Å; E42-W44 WeakPolarHBondContact OE1-CZ2 3.33Å; E42-W44 PolarHBondContact OE1-NE1 2.88Å; W44-R73 PolarHBondContact O-NH1 2.85Å
45	L	92.2	Very high	90.8	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	114.4	171.8	175.7	57.9	0	0	0	109.3	H31 I32 N47 L49 I50 I67 R73 I75	H31-L45 WeakPolarHBondContact CA-O 3.49Å; I32-L45 HydrophobicContact CG2-CB 3.83Å; I32-L45 HydrophobicContact CG2-CG 4.35Å; I32-L45 WeakPolarHBondContact CG2-O 3.38Å; I32-L45 PolarHBondContact N-O 3.3Å; I32-L45 PolarHBondContact O-N 3.32Å; L45-N47 PolarHBondContact O-N 3.42Å; L45-L49 HydrophobicContact CD1-CB 3.71Å; L45-I50 HydrophobicContact CD2-CG1 3.62Å; L45-I50 HydrophobicContact CG-CG1 3.88Å; L45-I67 HydrophobicContact CD2-CG2 3.78Å; L45-R73 HydrophobicContact CD1-CG 4.46Å; L45-R73 HydrophobicContact CD2-CG 4.38Å; L45-I75 HydrophobicContact CB-CD1 4.01Å; L45-I75 HydrophobicContact CD2-CD1 3.84Å
46	P	90.4	Very high	90.7	Very high	54 Å²	54	63.7 Å²	63.7	35%	0.351	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	136.5	169.1	-26.3	34.8	0	0	0	110.8	Q48 L49	P46-Q48 PolarHBondContact O-N 2.96Å; P46-Q48 VanDerWaalsContact O-N 3.07Å; P46-L49 HydrophobicContact CB-CD1 4.41Å; P46-L49 HydrophobicContact CB-CG 4.32Å; P46-L49 HydrophobicContact CG-CD1 4.11Å; P46-L49 PolarHBondContact O-N 3.44Å
47	N	88.4	Confident	90.7	Very high	1 Å²	1	68.9 Å²	68.9	1%	0.005	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-56.1	-34	-176.7	-70.6	-19.1	0	0	0	111.2	T28 L29 T30 H31 I32 L45 L49 I50 L96	T28-N47 PolarHBondContact O-ND2 2.88Å; L29-N47 PolarHBondContact O-ND2 3.39Å; T30-N47 PolarHBondContact O-N 3.39Å; H31-N47 VanDerWaalsContact C-OD1 3.23Å; H31-N47 WeakPolarHBondContact CA-OD1 3.35Å; H31-N47 PolarHBondContact N-ND2 2.63Å; I32-N47 PolarHBondContact N-OD1 3.32Å; L45-N47 PolarHBondContact O-N 3.42Å; N47-L49 VanDerWaalsContact C-N 3.29Å; N47-L49 PolarHBondContact O-N 3.26Å; N47-I50 WeakPolarHBondContact O-CB 3.4Å; N47-I50 WeakPolarHBondContact O-CG1 3.27Å; N47-I50 PolarHBondContact O-N 3.44Å; N47-L96 WeakPolarHBondContact O-CD2 3.4Å
48	Q	84.7	Confident	90.8	Very high	33 Å²	33	68.3 Å²	68.3	15%	0.154	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-71.3	-23	-176.9	-50.3	-54.8	-20.4	0	0	114.7	P46 I50 K70 P105 S428	P46-Q48 PolarHBondContact O-N 2.96Å; P46-Q48 VanDerWaalsContact O-N 3.07Å; Q48-I50 VanDerWaalsContact C-N 3.32Å; Q48-K70 PolarHBondContact O-NZ 2.77Å; Q48-K70 VanDerWaalsContact O-NZ 3.13Å; Q48-P105 HydrophobicContact CG-CB 4.44Å; Q48-P105 HydrophobicContact CG-CG 3.53Å; Q48-P105 VanDerWaalsContact NE2-CG 3.27Å; Q48-S428 WeakPolarHBondContact CB-O 3.45Å; Q48-S428 WeakPolarHBondContact CG-O 3.47Å
49	L	92	Very high	91	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.052	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-86.9	-3.1	174	-64.8	-177.1	0	0	0	111.9	L45 P46 N47 S51 G69 K70	L45-L49 HydrophobicContact CD1-CB 3.71Å; P46-L49 HydrophobicContact CB-CD1 4.41Å; P46-L49 HydrophobicContact CB-CG 4.32Å; P46-L49 HydrophobicContact CG-CD1 4.11Å; P46-L49 PolarHBondContact O-N 3.44Å; N47-L49 VanDerWaalsContact C-N 3.29Å; N47-L49 PolarHBondContact O-N 3.26Å; L49-S51 PolarHBondContact O-N 3.5Å; L49-G69 CarbonylContact O-C 3.35Å; L49-G69 WeakPolarHBondContact O-CA 3.29Å; L49-K70 PolarHBondContact O-N 3.48Å
50	I	93.1	Very high	91.2	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.9	171.9	-55.7	169.5	0	0	0	108.6	I32 L45 N47 Q48 V53 I67 L92 L96	I32-I50 HydrophobicContact CG2-CD1 4.16Å; L45-I50 HydrophobicContact CD2-CG1 3.62Å; L45-I50 HydrophobicContact CG-CG1 3.88Å; N47-I50 WeakPolarHBondContact O-CB 3.4Å; N47-I50 WeakPolarHBondContact O-CG1 3.27Å; N47-I50 PolarHBondContact O-N 3.44Å; Q48-I50 VanDerWaalsContact C-N 3.32Å; I50-V53 HydrophobicContact CG2-CG2 3.8Å; I50-I67 HydrophobicContact CB-CG2 4.44Å; I50-I67 HydrophobicContact CD1-CG2 4.24Å; I50-I67 HydrophobicContact CG1-CG2 4.01Å; I50-I67 HydrophobicContact CG2-CG2 3.7Å; I50-L92 HydrophobicContact CD1-CD2 4.14Å; I50-L96 HydrophobicContact CB-CD1 4.06Å; I50-L96 HydrophobicContact CB-CD2 3.63Å; I50-L96 HydrophobicContact CB-CG 4.47Å; I50-L96 HydrophobicContact CD1-CD2 4.27Å; I50-L96 HydrophobicContact CG1-CD2 4.42Å; I50-L96 HydrophobicContact CG2-CD1 3.56Å; I50-L96 HydrophobicContact CG2-CD2 4.12Å; I50-L96 HydrophobicContact CG2-CG 4.47Å
51	S	90.9	Very high	91.4	Very high	75 Å²	75	60.2 Å²	60.2	52%	0.524	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-44.3	174.7	179.5	0	0	0	0	111.6	L49 R68	L49-S51 PolarHBondContact O-N 3.5Å; S51-R68 WeakPolarHBondContact CA-O 3.38Å; S51-R68 WeakPolarHBondContact CB-O 3.48Å; S51-R68 PolarHBondContact N-O 2.93Å
52	S	91.9	Very high	91.7	Very high	46 Å²	46	57.6 Å²	57.6	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.9	178.4	63.2	0	0	0	0	112.3	R68	S52-R68 PolarHBondContact N-O 2.91Å; S52-R68 PolarHBondContact O-N 3.27Å
53	V	94.6	Very high	91.9	Very high	19 Å²	19	52.5 Å²	52.5	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126	172.5	-173.9	0	0	0	0	107.4	I50 L65 I66 I67 Y89 L92 L96	I50-V53 HydrophobicContact CG2-CG2 3.8Å; V53-L65 HydrophobicContact CG1-CD1 3.72Å; V53-L65 HydrophobicContact CG1-CD2 4.45Å; V53-L65 HydrophobicContact CG1-CG 4.15Å; V53-I66 WeakPolarHBondContact CA-O 3.48Å; V53-I67 HydrophobicContact CG1-CG1 4.29Å; V53-I67 HydrophobicContact CG2-CG1 4.4Å; V53-I67 HydrophobicContact CG2-CG2 4.48Å; V53-Y89 HydrophobicContact CB-CD2 4.47Å; V53-Y89 HydrophobicContact CB-CE2 4.5Å; V53-Y89 HydrophobicContact CG1-CD2 3.79Å; V53-Y89 HydrophobicContact CG1-CE2 4.26Å; V53-L92 HydrophobicContact CG1-CD1 4.22Å; V53-L92 HydrophobicContact CG2-CB 4.01Å; V53-L92 HydrophobicContact CG2-CD1 4.16Å; V53-L96 HydrophobicContact CG2-CD1 3.74Å
54	E	94.6	Very high	92.2	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	-177.3	-177.8	-176.5	-172	0	0	109.6	L56 I66 R68	E54-L56 HydrophobicContact CG-CD2 4.06Å; E54-L56 WeakPolarHBondContact OE1-CD2 3.23Å; E54-I66 HydrophobicContact CB-CB 4.43Å; E54-I66 PolarHBondContact N-O 3.11Å; E54-I66 PolarHBondContact O-N 3.01Å; E54-R68 IonicContact OE2-CZ 2.95Å; E54-R68 IonicContact OE2-NH1 3.6Å; E54-R68 PolarHBondContact OE2-NH1 3.4Å; E54-R68 IonicContact OE2-NH2 2.68Å; E54-R68 PolarHBondContact OE2-NH2 3.17Å
55	R	94.7	Very high	92.4	Very high	102 Å²	102	47.2 Å²	47.2	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.4	172.1	-167.6	-179.5	93.1	166.3	9.5	109.1	L65 E82 H86 Y89	R55-L65 HydrophobicContact CB-CD1 4.33Å; R55-E82 IonicContact NH2-OE1 3.12Å; R55-H86 PolarHBondContact NH1-ND1 3.42Å; R55-Y89 HydrophobicContact CB-CD2 4.01Å; R55-Y89 HydrophobicContact CB-CE2 4.31Å; R55-Y89 HydrophobicContact CB-CG 4.41Å
56	L	94.1	Very high	92.5	Very high	57 Å²	57	47.6 Å²	47.6	30%	0.298	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-89	165	176.8	-63.2	-175.4	0	0	0	111.4	E54 P64 I66	E54-L56 HydrophobicContact CG-CD2 4.06Å; E54-L56 WeakPolarHBondContact OE1-CD2 3.23Å; L56-P64 HydrophobicContact CB-CB 4.02Å; L56-P64 HydrophobicContact CB-CG 4.16Å; L56-P64 HydrophobicContact CD1-CB 4.23Å; L56-P64 PolarHBondContact N-O 3.38Å; L56-I66 HydrophobicContact CD1-CD1 3.63Å; L56-I66 HydrophobicContact CD1-CG1 4.24Å; L56-I66 HydrophobicContact CG-CD1 4.19Å
57	P	93.5	Very high	92.7	Very high	109 Å²	109	45 Å²	45	71%	0.708	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-54.8	145.2	174.3	-26.3	35.8	0	0	0	112.7	T59 P64	P57-T59 PolarHBondContact O-N 3.21Å; P57-P64 VanDerWaalsContact O-CD 3.28Å; P57-P64 WeakPolarHBondContact O-CD 3.47Å
58	L	93	Very high	93	Very high	101 Å²	101	48 Å²	48	53%	0.529	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58	135.9	177.8	-176.8	66.8	0	0	0	110.5	A63 E82	L58-A63 HydrophobicContact CD1-CB 3.93Å; L58-E82 HydrophobicContact CD1-CB 4.42Å
59	T	92.7	Very high	93.4	Very high	71 Å²	71	46.6 Å²	46.6	44%	0.436	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-116.5	168.4	177.1	71.7	0	0	0	0	110.4	P57 G61 G62 P64	P57-T59 PolarHBondContact O-N 3.21Å; T59-G61 PolarHBondContact O-N 3.28Å; T59-G61 PolarHBondContact OG1-N 2.99Å; T59-G62 PolarHBondContact N-O 3.39Å; T59-G62 PolarHBondContact O-N 2.73Å; T59-G62 VanDerWaalsContact O-N 3.1Å; T59-G62 PolarHBondContact OG1-O 3Å; T59-P64 HydrophobicContact CG2-CG 3.75Å
60	T	89.8	Confident	93.4	Very high	163 Å²	163	47.8 Å²	47.8	100%	1	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.4	173.6	49.8	0	0	0	0	113.3
61	G	87.5	Confident	93.3	Very high	41 Å²	41	47.8 Å²	47.8	42%	0.423	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.2	177.2	0	0	0	0	0	115.1	T59 V78	T59-G61 PolarHBondContact O-N 3.28Å; T59-G61 PolarHBondContact OG1-N 2.99Å; G61-V78 VanDerWaalsContact O-CG1 3.24Å; G61-V78 WeakPolarHBondContact O-CG1 3.3Å
62	G	93	Very high	93.4	Very high	5 Å²	5	44.8 Å²	44.8	5%	0.052	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	122.1	-172.4	-175.3	0	0	0	0	0	113.1	T59 P64	T59-G62 PolarHBondContact N-O 3.39Å; T59-G62 PolarHBondContact O-N 2.73Å; T59-G62 VanDerWaalsContact O-N 3.1Å; T59-G62 PolarHBondContact OG1-O 3Å; G62-P64 WeakPolarHBondContact O-CD 3.4Å
63	A	95.8	Very high	93.3	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.7	-177.4	0	0	0	0	0	110.7	L58 V79 C85	L58-A63 HydrophobicContact CD1-CB 3.93Å; A63-V79 PolarHBondContact N-O 3.12Å; A63-V79 PolarHBondContact O-N 2.77Å; A63-C85 HydrophobicContact CB-CB 3.55Å; A63-C85 VanDerWaalsContact CB-SG 3.57Å
64	P	96.2	Very high	93.2	Very high	18 Å²	18	43.7 Å²	43.7	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.2	-178.8	-7	24	0	0	0	111.9	L56 P57 T59 G62 L77 V78	L56-P64 HydrophobicContact CB-CB 4.02Å; L56-P64 HydrophobicContact CB-CG 4.16Å; L56-P64 HydrophobicContact CD1-CB 4.23Å; L56-P64 PolarHBondContact N-O 3.38Å; P57-P64 VanDerWaalsContact O-CD 3.28Å; P57-P64 WeakPolarHBondContact O-CD 3.47Å; T59-P64 HydrophobicContact CG2-CG 3.75Å; G62-P64 WeakPolarHBondContact O-CD 3.4Å; P64-L77 CarbonylContact C-O 3.56Å; P64-L77 WeakPolarHBondContact CA-O 3.47Å; P64-V78 HydrophobicContact CB-CG2 4.42Å
65	L	96.2	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.1	178.5	-171	75.7	0	0	0	109.1	V53 R55 L77 V88 Y89	V53-L65 HydrophobicContact CG1-CD1 3.72Å; V53-L65 HydrophobicContact CG1-CD2 4.45Å; V53-L65 HydrophobicContact CG1-CG 4.15Å; R55-L65 HydrophobicContact CB-CD1 4.33Å; L65-L77 HydrophobicContact CB-CB 4.39Å; L65-L77 PolarHBondContact N-O 3.24Å; L65-L77 PolarHBondContact O-N 2.93Å; L65-V88 HydrophobicContact CD2-CB 4.48Å; L65-V88 HydrophobicContact CD2-CG1 3.5Å; L65-Y89 HydrophobicContact CD1-CD2 3.99Å
66	I	95.6	Very high	93.2	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.4	178.5	-57	177.7	0	0	0	109.2	V53 E54 L56 R68 V74 R76	V53-I66 WeakPolarHBondContact CA-O 3.48Å; E54-I66 HydrophobicContact CB-CB 4.43Å; E54-I66 PolarHBondContact N-O 3.11Å; E54-I66 PolarHBondContact O-N 3.01Å; L56-I66 HydrophobicContact CD1-CD1 3.63Å; L56-I66 HydrophobicContact CD1-CG1 4.24Å; L56-I66 HydrophobicContact CG-CD1 4.19Å; I66-R68 HydrophobicContact CG2-CG 4.13Å; I66-V74 HydrophobicContact CG2-CG1 3.73Å; I66-R76 HydrophobicContact CG1-CG 4.47Å
67	I	95.4	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.3	174.4	-55.3	172.9	0	0	0	107.9	I32 L45 I50 V53 V74 I75 L77 L92	I32-I67 HydrophobicContact CD1-CD1 3.47Å; I32-I67 VanDerWaalsContact CD1-CD1 3.47Å; L45-I67 HydrophobicContact CD2-CG2 3.78Å; I50-I67 HydrophobicContact CB-CG2 4.44Å; I50-I67 HydrophobicContact CD1-CG2 4.24Å; I50-I67 HydrophobicContact CG1-CG2 4.01Å; I50-I67 HydrophobicContact CG2-CG2 3.7Å; V53-I67 HydrophobicContact CG1-CG1 4.29Å; V53-I67 HydrophobicContact CG2-CG1 4.4Å; V53-I67 HydrophobicContact CG2-CG2 4.48Å; I67-V74 WeakPolarHBondContact O-CA 3.44Å; I67-I75 HydrophobicContact CB-CB 4.28Å; I67-I75 PolarHBondContact N-O 3.39Å; I67-I75 PolarHBondContact O-N 2.94Å; I67-L77 HydrophobicContact CD1-CD1 4.12Å; I67-L92 HydrophobicContact CD1-CD1 3.73Å; I67-L92 HydrophobicContact CG1-CD1 4.33Å
68	R	94.1	Very high	93.4	Very high	64 Å²	64	32.5 Å²	32.5	24%	0.242	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.2	177.9	-62.7	-178.3	179.4	79.2	-7.2	109.4	S51 S52 E54 I66 V74	S51-R68 WeakPolarHBondContact CA-O 3.38Å; S51-R68 WeakPolarHBondContact CB-O 3.48Å; S51-R68 PolarHBondContact N-O 2.93Å; S52-R68 PolarHBondContact N-O 2.91Å; S52-R68 PolarHBondContact O-N 3.27Å; E54-R68 IonicContact OE2-CZ 2.95Å; E54-R68 IonicContact OE2-NH1 3.6Å; E54-R68 PolarHBondContact OE2-NH1 3.4Å; E54-R68 IonicContact OE2-NH2 2.68Å; E54-R68 PolarHBondContact OE2-NH2 3.17Å; I66-R68 HydrophobicContact CG2-CG 4.13Å; R68-V74 HydrophobicContact CG-CG1 4.35Å; R68-V74 HydrophobicContact CG-CG2 4.3Å
69	G	93	Very high	93.5	Very high	4 Å²	4	27.7 Å²	27.7	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	154	177.6	0	0	0	0	0	113.4	L49 D71 F72 R73	L49-G69 CarbonylContact O-C 3.35Å; L49-G69 WeakPolarHBondContact O-CA 3.29Å; G69-D71 WeakPolarHBondContact CA-OD1 3.45Å; G69-F72 PolarHBondContact O-N 3.11Å; G69-R73 PolarHBondContact N-O 3.39Å
70	K	92.3	Very high	93.5	Very high	35 Å²	35	28.3 Å²	28.3	15%	0.152	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.3	169.1	-63.1	175.8	-178	170.1	0	111.6	Q48 L49 F72 Y427	Q48-K70 PolarHBondContact O-NZ 2.77Å; Q48-K70 VanDerWaalsContact O-NZ 3.13Å; L49-K70 PolarHBondContact O-N 3.48Å; K70-F72 WeakPolarHBondContact O-CE1 3.49Å; K70-F72 PolarHBondContact O-N 2.96Å; K70-Y427 HydrophobicContact CB-CD1 4.06Å; K70-Y427 HydrophobicContact CB-CD2 4.04Å; K70-Y427 HydrophobicContact CB-CG 3.75Å; K70-Y427 HydrophobicContact CD-CD1 3.71Å; K70-Y427 HydrophobicContact CD-CG 3.86Å; K70-Y427 HydrophobicContact CG-CD1 4.28Å; K70-Y427 HydrophobicContact CG-CG 4.36Å
71	D	90.4	Very high	93.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	20	166.5	66.7	-6.7	0	0	0	113	G69 R73 W544	G69-D71 WeakPolarHBondContact CA-OD1 3.45Å; D71-R73 PolarHBondContact O-N 3.36Å; D71-R73 VanDerWaalsContact O-N 3.09Å; D71-R73 VanDerWaalsContact OD1-CG 3.32Å; D71-R73 WeakPolarHBondContact OD1-CG 3.44Å; D71-R73 PolarHBondContact OD1-N 3.4Å; D71-R73 IonicContact OD1-NE 2.77Å; D71-R73 PolarHBondContact OD1-NE 3.47Å; D71-R73 IonicContact OD2-CZ 3.58Å; D71-R73 IonicContact OD2-NE 3.4Å; D71-R73 PolarHBondContact OD2-NE 3.23Å; D71-R73 IonicContact OD2-NH2 3.63Å; D71-R73 PolarHBondContact OD2-NH2 2.91Å; D71-W544 PolarHBondContact O-NE1 3.19Å; D71-W544 VanDerWaalsContact OD2-CZ2 3.31Å; D71-W544 WeakPolarHBondContact OD2-CZ2 3.4Å
72	F	93	Very high	93.8	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	14%	0.138	C	C	.	.	S	Bend	trans	70.5	-6	174.6	-47.1	-44.9	0	0	0	117.6	G69 K70 L278 L282 R286 T395 H423 L540 Y541	G69-F72 PolarHBondContact O-N 3.11Å; K70-F72 WeakPolarHBondContact O-CE1 3.49Å; K70-F72 PolarHBondContact O-N 2.96Å; F72-L278 HydrophobicContact CE1-CD1 4.25Å; F72-L278 HydrophobicContact CE1-CD2 3.97Å; F72-L278 HydrophobicContact CZ-CD1 4.28Å; F72-L278 HydrophobicContact CZ-CD2 4.37Å; F72-L282 HydrophobicContact CB-CD2 3.77Å; F72-L282 HydrophobicContact CD1-CD1 3.55Å; F72-L282 HydrophobicContact CD1-CD2 3.68Å; F72-L282 HydrophobicContact CD1-CG 4.24Å; F72-L282 HydrophobicContact CD2-CD2 4.24Å; F72-L282 HydrophobicContact CE1-CD1 4.04Å; F72-L282 HydrophobicContact CE1-CD2 4.36Å; F72-L282 HydrophobicContact CG-CD1 4.32Å; F72-L282 HydrophobicContact CG-CD2 3.61Å; F72-R286 PolarHBondContact O-NE 3.03Å; F72-R286 PolarHBondContact O-NH2 3.5Å; F72-T395 HydrophobicContact CZ-CG2 4.35Å; F72-H423 AromaticContact CE2-CE1 3.76Å; F72-H423 AromaticContact CE2-NE2 3.63Å; F72-H423 AromaticContact CZ-CE1 3.76Å; F72-H423 AromaticContact CZ-NE2 3.42Å; F72-H423 WeakPolarHBondContact CZ-NE2 3.48Å; F72-L540 HydrophobicContact CD2-CD1 4.48Å; F72-L540 HydrophobicContact CD2-CG 4.19Å; F72-L540 HydrophobicContact CE2-CD1 4.15Å; F72-L540 HydrophobicContact CE2-CD2 4.02Å; F72-L540 HydrophobicContact CE2-CG 3.8Å; F72-Y541 AromaticContact CD2-CD1 3.76Å; F72-Y541 HydrophobicContact CD2-CD1 3.76Å; F72-Y541 HydrophobicContact CD2-CE1 4.19Å; F72-Y541 AromaticContact CE2-CD1 3.64Å; F72-Y541 HydrophobicContact CE2-CD1 3.64Å; F72-Y541 AromaticContact CE2-CE1 3.57Å; F72-Y541 HydrophobicContact CE2-CE1 3.57Å; F72-Y541 HydrophobicContact CZ-CD1 4.38Å; F72-Y541 HydrophobicContact CZ-CE1 4.03Å
73	R	90.1	Very high	93.8	Very high	24 Å²	24	38.7 Å²	38.7	9%	0.091	17%	0.17	C	C	.	.			trans	-62	153.2	176.3	81.6	179.5	71.2	-176	17.4	112.7	W44 L45 G69 D71 I75 W544	W44-R73 PolarHBondContact O-NH1 2.85Å; L45-R73 HydrophobicContact CD1-CG 4.46Å; L45-R73 HydrophobicContact CD2-CG 4.38Å; G69-R73 PolarHBondContact N-O 3.39Å; D71-R73 PolarHBondContact O-N 3.36Å; D71-R73 VanDerWaalsContact O-N 3.09Å; D71-R73 VanDerWaalsContact OD1-CG 3.32Å; D71-R73 WeakPolarHBondContact OD1-CG 3.44Å; D71-R73 PolarHBondContact OD1-N 3.4Å; D71-R73 IonicContact OD1-NE 2.77Å; D71-R73 PolarHBondContact OD1-NE 3.47Å; D71-R73 IonicContact OD2-CZ 3.58Å; D71-R73 IonicContact OD2-NE 3.4Å; D71-R73 PolarHBondContact OD2-NE 3.23Å; D71-R73 IonicContact OD2-NH2 3.63Å; D71-R73 PolarHBondContact OD2-NH2 2.91Å; R73-I75 HydrophobicContact CG-CG1 4.45Å; R73-W544 HydrophobicContact CB-CB 4.38Å; R73-W544 HydrophobicContact CB-CD2 3.82Å; R73-W544 HydrophobicContact CB-CG 3.57Å
74	V	92.2	Very high	93.7	Very high	17 Å²	17	40.5 Å²	40.5	10%	0.103	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.7	172.4	-176.7	0	0	0	0	108.3	I66 I67 R68 R76 R286	I66-V74 HydrophobicContact CG2-CG1 3.73Å; I67-V74 WeakPolarHBondContact O-CA 3.44Å; R68-V74 HydrophobicContact CG-CG1 4.35Å; R68-V74 HydrophobicContact CG-CG2 4.3Å; V74-R76 HydrophobicContact CG1-CG 4.23Å; V74-R286 HydrophobicContact CG2-CG 4.11Å; V74-R286 VanDerWaalsContact CG2-NE 3.28Å
75	I	93.7	Very high	93.7	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.5	176.9	-54.7	174.5	0	0	0	107.2	Y11 I43 L45 I67 R73 L77	Y11-I75 HydrophobicContact CD2-CG2 3.92Å; Y11-I75 HydrophobicContact CE2-CG2 3.96Å; I43-I75 HydrophobicContact CG2-CD1 3.76Å; I43-I75 HydrophobicContact CG2-CG1 4.21Å; L45-I75 HydrophobicContact CB-CD1 4.01Å; L45-I75 HydrophobicContact CD2-CD1 3.84Å; I67-I75 HydrophobicContact CB-CB 4.28Å; I67-I75 PolarHBondContact N-O 3.39Å; I67-I75 PolarHBondContact O-N 2.94Å; R73-I75 HydrophobicContact CG-CG1 4.45Å; I75-L77 HydrophobicContact CG2-CD1 4.35Å; I75-L77 HydrophobicContact CG2-CD2 3.86Å; I75-L77 HydrophobicContact CG2-CG 3.94Å
76	R	95	Very high	93.5	Very high	87 Å²	87	43.9 Å²	43.9	33%	0.328	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.9	177.7	-65	176.8	-178.7	-86.4	2.1	108.5	I12 I66 V74	I12-R76 HydrophobicContact CB-CB 4.03Å; I12-R76 PolarHBondContact N-O 3.36Å; I66-R76 HydrophobicContact CG1-CG 4.47Å; V74-R76 HydrophobicContact CG1-CG 4.23Å
77	L	96.1	Very high	93.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.7	-179.2	-57.4	172.9	0	0	0	109.6	V9 F10 Y11 L25 F34 P64 L65 I67 I75	V9-L77 HydrophobicContact CG1-CB 4Å; V9-L77 HydrophobicContact CG1-CD2 4.04Å; V9-L77 HydrophobicContact CG1-CG 4.41Å; F10-L77 CarbonylContact O-C 3.59Å; F10-L77 VanDerWaalsContact O-CA 3.24Å; F10-L77 WeakPolarHBondContact O-CA 3.13Å; Y11-L77 HydrophobicContact CD2-CD2 4.15Å; L25-L77 HydrophobicContact CD1-CD1 3.73Å; L25-L77 HydrophobicContact CD2-CD1 3.83Å; L25-L77 HydrophobicContact CG-CD1 4.42Å; F34-L77 HydrophobicContact CD2-CD2 4.41Å; P64-L77 CarbonylContact C-O 3.56Å; P64-L77 WeakPolarHBondContact CA-O 3.47Å; L65-L77 HydrophobicContact CB-CB 4.39Å; L65-L77 PolarHBondContact N-O 3.24Å; L65-L77 PolarHBondContact O-N 2.93Å; I67-L77 HydrophobicContact CD1-CD1 4.12Å; I75-L77 HydrophobicContact CG2-CD1 4.35Å; I75-L77 HydrophobicContact CG2-CD2 3.86Å; I75-L77 HydrophobicContact CG2-CG 3.94Å
78	V	96.7	Very high	93.3	Very high	10 Å²	10	46.7 Å²	46.7	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115	164.6	-178.5	0	0	0	0	107.3	F10 I12 G61 P64	F10-V78 HydrophobicContact CB-CB 4.27Å; F10-V78 PolarHBondContact N-O 3.02Å; F10-V78 PolarHBondContact O-N 3.38Å; I12-V78 HydrophobicContact CD1-CG2 3.57Å; I12-V78 HydrophobicContact CG1-CG2 4.18Å; G61-V78 VanDerWaalsContact O-CG1 3.24Å; G61-V78 WeakPolarHBondContact O-CG1 3.3Å; P64-V78 HydrophobicContact CB-CG2 4.42Å
79	V	95.3	Very high	93.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.4	177.7	-177.7	0	0	0	0	107.6	V6 V9 A63 K81 D84 C85	V6-V79 HydrophobicContact CG1-CG1 3.94Å; V9-V79 HydrophobicContact CG1-CG2 4.12Å; V9-V79 HydrophobicContact CG2-CG1 4.47Å; V9-V79 HydrophobicContact CG2-CG2 4.14Å; A63-V79 PolarHBondContact N-O 3.12Å; A63-V79 PolarHBondContact O-N 2.77Å; V79-K81 PolarHBondContact O-N 3.38Å; V79-D84 HydrophobicContact CG1-CB 3.77Å; V79-C85 HydrophobicContact CB-CB 3.8Å; V79-C85 HydrophobicContact CG1-CB 4.06Å; V79-C85 HydrophobicContact CG2-CB 4.3Å
80	L	93	Very high	93.3	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.435	22%	0.224	S	C	.	.	S	Bend	trans	-60.5	-41.8	-172	-74.5	178.7	0	0	0	113.5	D8 F10	D8-L80 HydrophobicContact CB-CD1 3.82Å; D8-L80 WeakPolarHBondContact O-CG 3.48Å; F10-L80 HydrophobicContact CD2-CD2 4.28Å; F10-L80 HydrophobicContact CD2-CG 4.39Å; F10-L80 HydrophobicContact CE2-CD1 4.12Å; F10-L80 HydrophobicContact CE2-CD2 3.78Å; F10-L80 HydrophobicContact CE2-CG 3.96Å
81	K	91.8	Very high	93.3	Very high	138 Å²	138	48.8 Å²	48.8	60%	0.6	22%	0.224	S	C	*	.	S	Bend	trans	-96.6	128.3	179.8	-59.5	-176.7	-168.3	163.8	0	110.2	V79 R83 D84 C85	V79-K81 PolarHBondContact O-N 3.38Å; K81-R83 VanDerWaalsContact C-N 3.25Å; K81-R83 PolarHBondContact O-N 2.86Å; K81-D84 HydrophobicContact CB-CB 4.21Å; K81-D84 WeakPolarHBondContact CD-OD2 3.37Å; K81-D84 PolarHBondContact O-N 3.06Å; K81-C85 PolarHBondContact O-N 3.48Å
82	E	91.9	Very high	93.4	Very high	96 Å²	96	48.6 Å²	48.6	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-38.6	177.3	-172.8	-175.8	177.3	0	0	112.1	R55 L58 C85 H86	R55-E82 IonicContact NH2-OE1 3.12Å; L58-E82 HydrophobicContact CD1-CB 4.42Å; E82-C85 WeakPolarHBondContact O-CB 3.41Å; E82-C85 PolarHBondContact O-N 3.01Å; E82-H86 WeakPolarHBondContact O-CB 3.28Å; E82-H86 PolarHBondContact O-N 3.25Å
83	R	92.8	Very high	93.3	Very high	194 Å²	194	50.9 Å²	50.9	73%	0.732	24%	0.238	S	C	*	.	H	α-helix	trans	-58	-51.7	176.5	-176.7	179.5	177.2	175.2	0.9	111.7	K81 C85 H86 D87	K81-R83 VanDerWaalsContact C-N 3.25Å; K81-R83 PolarHBondContact O-N 2.86Å; R83-C85 VanDerWaalsContact C-N 3.27Å; R83-C85 PolarHBondContact O-N 3.4Å; R83-H86 WeakPolarHBondContact O-CB 3.48Å; R83-H86 PolarHBondContact O-N 3.15Å; R83-H86 VanDerWaalsContact O-N 3.11Å; R83-D87 PolarHBondContact O-N 3.5Å
84	D	93.7	Very high	93.2	Very high	42 Å²	42	56.9 Å²	56.9	23%	0.225	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-38	179.5	-57.5	-6.5	0	0	0	110.8	V6 V79 K81 D87 V88	V6-D84 HydrophobicContact CG1-CB 3.8Å; V6-D84 HydrophobicContact CG2-CB 4.38Å; V79-D84 HydrophobicContact CG1-CB 3.77Å; K81-D84 HydrophobicContact CB-CB 4.21Å; K81-D84 WeakPolarHBondContact CD-OD2 3.37Å; K81-D84 PolarHBondContact O-N 3.06Å; D84-D87 PolarHBondContact O-N 2.98Å; D84-V88 WeakPolarHBondContact O-CB 3.47Å; D84-V88 VanDerWaalsContact O-CG2 3.26Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.07Å
85	C	94.5	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-42.6	174.8	-167.5	0	0	0	0	112	A63 V79 K81 E82 R83 V88 Y89	A63-C85 HydrophobicContact CB-CB 3.55Å; A63-C85 VanDerWaalsContact CB-SG 3.57Å; V79-C85 HydrophobicContact CB-CB 3.8Å; V79-C85 HydrophobicContact CG1-CB 4.06Å; V79-C85 HydrophobicContact CG2-CB 4.3Å; K81-C85 PolarHBondContact O-N 3.48Å; E82-C85 WeakPolarHBondContact O-CB 3.41Å; E82-C85 PolarHBondContact O-N 3.01Å; R83-C85 VanDerWaalsContact C-N 3.27Å; R83-C85 PolarHBondContact O-N 3.4Å; C85-V88 PolarHBondContact O-N 3.1Å; C85-Y89 VanDerWaalsContact O-CB 3.27Å; C85-Y89 WeakPolarHBondContact O-CB 3.3Å; C85-Y89 PolarHBondContact O-N 3.33Å
86	H	93.7	Very high	92.5	Very high	89 Å²	89	59.7 Å²	59.7	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-41.4	175.9	180	68.8	0	0	0	111.9	R55 E82 R83 Y89 S90	R55-H86 PolarHBondContact NH1-ND1 3.42Å; E82-H86 WeakPolarHBondContact O-CB 3.28Å; E82-H86 PolarHBondContact O-N 3.25Å; R83-H86 WeakPolarHBondContact O-CB 3.48Å; R83-H86 PolarHBondContact O-N 3.15Å; R83-H86 VanDerWaalsContact O-N 3.11Å; H86-Y89 PolarHBondContact O-N 3.05Å; H86-S90 PolarHBondContact CE1-OG 3.4Å; H86-S90 VanDerWaalsContact O-CB 3.29Å; H86-S90 WeakPolarHBondContact O-CB 3.43Å; H86-S90 PolarHBondContact O-N 2.69Å; H86-S90 PolarHBondContact O-OG 3.02Å
87	D	92.9	Very high	92.2	Very high	67 Å²	67	64.9 Å²	64.9	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-44.3	177.8	-66.8	-16.9	0	0	0	110.9	R83 D84 T91	R83-D87 PolarHBondContact O-N 3.5Å; D84-D87 PolarHBondContact O-N 2.98Å; D87-T91 VanDerWaalsContact O-CB 3.27Å; D87-T91 WeakPolarHBondContact O-CB 3.45Å; D87-T91 PolarHBondContact O-N 2.96Å; D87-T91 PolarHBondContact O-OG1 2.84Å
88	V	93.4	Very high	91.9	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-50.3	173.8	169.5	0	0	0	0	111.2	V6 L25 L27 L65 D84 C85 S90 T91 L92	V6-V88 HydrophobicContact CB-CG2 4.46Å; V6-V88 HydrophobicContact CG2-CG2 3.5Å; L25-V88 HydrophobicContact CD2-CG1 3.85Å; L25-V88 HydrophobicContact CD2-CG2 4.15Å; L27-V88 HydrophobicContact CD1-CG1 4.29Å; L27-V88 HydrophobicContact CD1-CG2 4.05Å; L27-V88 HydrophobicContact CD2-CG1 4.16Å; L65-V88 HydrophobicContact CD2-CB 4.48Å; L65-V88 HydrophobicContact CD2-CG1 3.5Å; D84-V88 WeakPolarHBondContact O-CB 3.47Å; D84-V88 VanDerWaalsContact O-CG2 3.26Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.07Å; C85-V88 PolarHBondContact O-N 3.1Å; V88-S90 PolarHBondContact O-N 3.2Å; V88-T91 PolarHBondContact O-N 3.17Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.12Å
89	Y	94.5	Very high	91.6	Very high	75 Å²	75	67.3 Å²	67.3	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-58.9	-47.1	179.8	173	-96.9	0	0	0	111.8	V53 R55 L65 C85 H86 L92 T93	V53-Y89 HydrophobicContact CB-CD2 4.47Å; V53-Y89 HydrophobicContact CB-CE2 4.5Å; V53-Y89 HydrophobicContact CG1-CD2 3.79Å; V53-Y89 HydrophobicContact CG1-CE2 4.26Å; R55-Y89 HydrophobicContact CB-CD2 4.01Å; R55-Y89 HydrophobicContact CB-CE2 4.31Å; R55-Y89 HydrophobicContact CB-CG 4.41Å; L65-Y89 HydrophobicContact CD1-CD2 3.99Å; C85-Y89 VanDerWaalsContact O-CB 3.27Å; C85-Y89 WeakPolarHBondContact O-CB 3.3Å; C85-Y89 PolarHBondContact O-N 3.33Å; H86-Y89 PolarHBondContact O-N 3.05Å; Y89-L92 PolarHBondContact O-N 3.27Å; Y89-T93 VanDerWaalsContact O-CB 3.28Å; Y89-T93 WeakPolarHBondContact O-CB 3.37Å; Y89-T93 PolarHBondContact O-N 3.43Å; Y89-T93 PolarHBondContact O-OG1 3.01Å
90	S	93.3	Very high	91.3	Very high	44 Å²	44	73.5 Å²	73.5	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-42.3	-179	-57.8	0	0	0	0	111.3	H86 V88 T93 Q94	H86-S90 PolarHBondContact CE1-OG 3.4Å; H86-S90 VanDerWaalsContact O-CB 3.29Å; H86-S90 WeakPolarHBondContact O-CB 3.43Å; H86-S90 PolarHBondContact O-N 2.69Å; H86-S90 PolarHBondContact O-OG 3.02Å; V88-S90 PolarHBondContact O-N 3.2Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-Q94 WeakPolarHBondContact O-CB 3.45Å; S90-Q94 PolarHBondContact O-N 2.92Å
91	T	92	Very high	91.3	Very high	27 Å²	27	70.4 Å²	70.4	17%	0.166	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-50.5	176	-57.4	0	0	0	0	111.2	V3 L27 D87 V88 Q94 L95	V3-T91 HydrophobicContact CG1-CG2 4.34Å; L27-T91 HydrophobicContact CD2-CG2 3.86Å; D87-T91 VanDerWaalsContact O-CB 3.27Å; D87-T91 WeakPolarHBondContact O-CB 3.45Å; D87-T91 PolarHBondContact O-N 2.96Å; D87-T91 PolarHBondContact O-OG1 2.84Å; V88-T91 PolarHBondContact O-N 3.17Å; T91-Q94 PolarHBondContact O-N 3.25Å; T91-L95 HydrophobicContact CG2-CD1 3.97Å; T91-L95 HydrophobicContact CG2-CG 4.49Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.03Å; T91-L95 PolarHBondContact O-N 3.33Å
92	L	91.8	Very high	91.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-45.2	178.6	-67.4	173.5	0	0	0	111.3	L27 I32 I50 V53 I67 V88 Y89 Q94 L95 L96	L27-L92 HydrophobicContact CD2-CD2 3.8Å; L27-L92 HydrophobicContact CD2-CG 3.78Å; L27-L92 HydrophobicContact CG-CD2 4.32Å; I32-L92 HydrophobicContact CB-CD2 4.48Å; I32-L92 HydrophobicContact CD1-CD1 3.94Å; I32-L92 HydrophobicContact CD1-CD2 4.17Å; I50-L92 HydrophobicContact CD1-CD2 4.14Å; V53-L92 HydrophobicContact CG1-CD1 4.22Å; V53-L92 HydrophobicContact CG2-CB 4.01Å; V53-L92 HydrophobicContact CG2-CD1 4.16Å; I67-L92 HydrophobicContact CD1-CD1 3.73Å; I67-L92 HydrophobicContact CG1-CD1 4.33Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.12Å; Y89-L92 PolarHBondContact O-N 3.27Å; L92-Q94 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.45Å; L92-L95 VanDerWaalsContact O-N 3.13Å; L92-L96 WeakPolarHBondContact O-CG 3.28Å; L92-L96 PolarHBondContact O-N 2.79Å
93	T	90.9	Very high	91.3	Very high	61 Å²	61	64.7 Å²	64.7	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-59.1	-38.2	178.6	-57.6	0	0	0	0	111.5	Y89 S90 R97	Y89-T93 VanDerWaalsContact O-CB 3.28Å; Y89-T93 WeakPolarHBondContact O-CB 3.37Å; Y89-T93 PolarHBondContact O-N 3.43Å; Y89-T93 PolarHBondContact O-OG1 3.01Å; S90-T93 PolarHBondContact O-N 3.35Å; T93-R97 PolarHBondContact O-N 2.93Å
94	Q	88.4	Confident	91.2	Very high	151 Å²	151	55.5 Å²	55.5	71%	0.706	29%	0.291	S	S	*	.	H	α-helix	trans	-68	-44.8	174.6	-175.9	176.3	-0	0	0	112.2	S90 T91 L92 L96 R97	S90-Q94 WeakPolarHBondContact O-CB 3.45Å; S90-Q94 PolarHBondContact O-N 2.92Å; T91-Q94 PolarHBondContact O-N 3.25Å; L92-Q94 PolarHBondContact O-N 3.33Å; Q94-L96 PolarHBondContact O-N 2.94Å; Q94-R97 WeakPolarHBondContact O-CB 3.2Å; Q94-R97 PolarHBondContact O-N 3.19Å; Q94-R97 VanDerWaalsContact O-N 3.13Å
95	L	85.2	Confident	91.1	Very high	47 Å²	47	54 Å²	54	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-29.2	179	-71.6	170.9	0	0	0	113	L29 T91 L92 R97	L29-L95 HydrophobicContact CD2-CD2 4.12Å; T91-L95 HydrophobicContact CG2-CD1 3.97Å; T91-L95 HydrophobicContact CG2-CG 4.49Å; T91-L95 VanDerWaalsContact O-CG 3.3Å; T91-L95 WeakPolarHBondContact O-CG 3.03Å; T91-L95 PolarHBondContact O-N 3.33Å; L92-L95 PolarHBondContact O-N 3.45Å; L92-L95 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.32Å
96	L	86.7	Confident	91	Very high	39 Å²	39	54.2 Å²	54.2	20%	0.204	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.7	177.4	-62.2	172.6	0	0	0	113.6	N47 I50 V53 L92 Q94 V98 S383	N47-L96 WeakPolarHBondContact O-CD2 3.4Å; I50-L96 HydrophobicContact CB-CD1 4.06Å; I50-L96 HydrophobicContact CB-CD2 3.63Å; I50-L96 HydrophobicContact CB-CG 4.47Å; I50-L96 HydrophobicContact CD1-CD2 4.27Å; I50-L96 HydrophobicContact CG1-CD2 4.42Å; I50-L96 HydrophobicContact CG2-CD1 3.56Å; I50-L96 HydrophobicContact CG2-CD2 4.12Å; I50-L96 HydrophobicContact CG2-CG 4.47Å; V53-L96 HydrophobicContact CG2-CD1 3.74Å; L92-L96 WeakPolarHBondContact O-CG 3.28Å; L92-L96 PolarHBondContact O-N 2.79Å; Q94-L96 PolarHBondContact O-N 2.94Å; L96-V98 PolarHBondContact O-N 2.92Å; L96-V98 VanDerWaalsContact O-N 3.1Å; L96-S383 PolarHBondContact O-OG 3.14Å
97	R	87.9	Confident	91	Very high	196 Å²	196	52.1 Å²	52.1	74%	0.74	27%	0.273	S	S	*	.			trans	-80.7	94.6	-179.4	-171.3	179.9	176.5	179.5	-1.4	110.5	T93 Q94 L95 S383	T93-R97 PolarHBondContact O-N 2.93Å; Q94-R97 WeakPolarHBondContact O-CB 3.2Å; Q94-R97 PolarHBondContact O-N 3.19Å; Q94-R97 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.32Å; R97-S383 WeakPolarHBondContact CA-OG 3.42Å
98	V	89.7	Confident	90.8	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.079	28%	0.282	C	S	.	.			trans	-97.8	108.4	169.7	-177	0	0	0	0	108.6	L96 H100 A103 L104 V382 S383	L96-V98 PolarHBondContact O-N 2.92Å; L96-V98 VanDerWaalsContact O-N 3.1Å; V98-H100 WeakPolarHBondContact CG1-O 3.18Å; V98-A103 HydrophobicContact CG1-CB 4.1Å; V98-L104 HydrophobicContact CB-CD2 4.5Å; V98-L104 HydrophobicContact CG1-CD2 3.77Å; V98-L104 HydrophobicContact CG1-CG 4.05Å; V98-L104 HydrophobicContact CG2-CD2 4.38Å; V98-V382 HydrophobicContact CG1-CG2 4.48Å; V98-V382 VanDerWaalsContact O-CG1 3.25Å; V98-V382 WeakPolarHBondContact O-CG1 3.47Å; V98-S383 PolarHBondContact N-OG 2.99Å; V98-S383 VanDerWaalsContact N-OG 3.08Å; V98-S383 PolarHBondContact O-N 2.79Å; V98-S383 PolarHBondContact O-OG 3.04Å
99	A	89.7	Confident	90.4	Very high	51 Å²	51	59.4 Å²	59.4	42%	0.421	30%	0.304	S	S	.	.			trans	-74.1	-39.8	-175.4	0	0	0	0	0	113.7	V382	A99-V382 WeakPolarHBondContact O-CG1 3.29Å
100	H	90	Very high	90.2	Very high	130 Å²	130	60 Å²	60	60%	0.602	32%	0.315	S	S	*	.	S	Bend	trans	-143	161.2	-177.1	-54.6	-70.5	0	0	0	110.4	V98 S102 A103	V98-H100 WeakPolarHBondContact CG1-O 3.18Å; H100-S102 VanDerWaalsContact C-N 3.26Å; H100-S102 PolarHBondContact O-N 3.04Å; H100-A103 WeakPolarHBondContact O-CB 3.36Å; H100-A103 PolarHBondContact O-N 2.75Å
101	V	92.7	Very high	89.9	Confident	19 Å²	19	58.3 Å²	58.3	12%	0.115	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.9	-177	-178.9	0	0	0	0	112.8	A103 L104 Y107 T376 V382 I435 L445	V101-A103 PolarHBondContact O-N 2.79Å; V101-L104 HydrophobicContact CB-CD1 4.46Å; V101-L104 HydrophobicContact CG1-CD1 3.84Å; V101-L104 VanDerWaalsContact O-CB 3.25Å; V101-L104 WeakPolarHBondContact O-CB 3.35Å; V101-L104 WeakPolarHBondContact O-CD1 3.41Å; V101-L104 VanDerWaalsContact O-CG 3.25Å; V101-L104 WeakPolarHBondContact O-CG 3.29Å; V101-L104 PolarHBondContact O-N 3.2Å; V101-L104 VanDerWaalsContact O-N 3.1Å; V101-Y107 HydrophobicContact CG1-CE2 4.26Å; V101-Y107 WeakPolarHBondContact O-CD2 3.42Å; V101-Y107 WeakPolarHBondContact O-CE2 3.43Å; V101-T376 HydrophobicContact CG2-CG2 4.02Å; V101-V382 HydrophobicContact CG2-CG2 3.93Å; V101-I435 HydrophobicContact CG1-CG2 3.35Å; V101-L445 HydrophobicContact CB-CD1 4.17Å; V101-L445 HydrophobicContact CB-CD2 4.27Å; V101-L445 HydrophobicContact CG1-CD1 3.61Å; V101-L445 HydrophobicContact CG1-CD2 4.37Å
102	S	91.3	Very high	89.5	Confident	68 Å²	68	60.9 Å²	60.9	48%	0.476	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.4	-12.2	177	54.4	0	0	0	0	114.5	H100 Y107 Q108	H100-S102 VanDerWaalsContact C-N 3.26Å; H100-S102 PolarHBondContact O-N 3.04Å; S102-Y107 WeakPolarHBondContact O-CB 3.33Å; S102-Q108 PolarHBondContact O-NE2 2.96Å
103	A	92	Very high	89	Confident	45 Å²	45	63.4 Å²	63.4	37%	0.372	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-91.4	2.4	173.7	0	0	0	0	0	112.8	V98 H100 V101	V98-A103 HydrophobicContact CG1-CB 4.1Å; H100-A103 WeakPolarHBondContact O-CB 3.36Å; H100-A103 PolarHBondContact O-N 2.75Å; V101-A103 PolarHBondContact O-N 2.79Å
104	L	92.3	Very high	88.8	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	-68.7	153.7	176	-71.8	170.1	0	0	0	111.9	V98 V101 C106 Y107 Q108 L381 A429 I435	V98-L104 HydrophobicContact CB-CD2 4.5Å; V98-L104 HydrophobicContact CG1-CD2 3.77Å; V98-L104 HydrophobicContact CG1-CG 4.05Å; V98-L104 HydrophobicContact CG2-CD2 4.38Å; V101-L104 HydrophobicContact CB-CD1 4.46Å; V101-L104 HydrophobicContact CG1-CD1 3.84Å; V101-L104 VanDerWaalsContact O-CB 3.25Å; V101-L104 WeakPolarHBondContact O-CB 3.35Å; V101-L104 WeakPolarHBondContact O-CD1 3.41Å; V101-L104 VanDerWaalsContact O-CG 3.25Å; V101-L104 WeakPolarHBondContact O-CG 3.29Å; V101-L104 PolarHBondContact O-N 3.2Å; V101-L104 VanDerWaalsContact O-N 3.1Å; L104-C106 VanDerWaalsContact C-N 3.3Å; L104-C106 PolarHBondContact O-N 3.17Å; L104-Y107 HydrophobicContact CB-CD2 4.32Å; L104-Y107 PolarHBondContact O-N 3.49Å; L104-Q108 WeakPolarHBondContact O-CG 3Å; L104-L381 HydrophobicContact CD1-CB 4.46Å; L104-L381 HydrophobicContact CD2-CB 4.07Å; L104-L381 WeakPolarHBondContact CD2-O 3.35Å; L104-A429 HydrophobicContact CB-CB 4.37Å; L104-A429 HydrophobicContact CD1-CB 4.42Å; L104-A429 HydrophobicContact CD2-CB 3.87Å; L104-A429 HydrophobicContact CG-CB 4.47Å; L104-I435 HydrophobicContact CD1-CD1 3.82Å; L104-I435 HydrophobicContact CD1-CG2 4.04Å
105	P	90.5	Very high	88.6	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.065	32%	0.322	C	S	.	.	H	α-helix	trans	-52.4	-41.5	-175.8	-26.8	34.1	0	0	0	114.8	Q48 Y107 Q108 F109	Q48-P105 HydrophobicContact CG-CB 4.44Å; Q48-P105 HydrophobicContact CG-CG 3.53Å; Q48-P105 VanDerWaalsContact NE2-CG 3.27Å; P105-Y107 PolarHBondContact O-N 2.88Å; P105-Y107 VanDerWaalsContact O-N 3.12Å; P105-Q108 PolarHBondContact O-N 3.31Å; P105-F109 HydrophobicContact CB-CD2 4.14Å; P105-F109 PolarHBondContact O-N 2.84Å
106	C	93	Very high	88.7	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-21	179.9	59.5	0	0	0	0	114.7	L104 A429 V430 T451	L104-C106 VanDerWaalsContact C-N 3.3Å; L104-C106 PolarHBondContact O-N 3.17Å; C106-A429 VanDerWaalsContact CB-O 3.25Å; C106-A429 WeakPolarHBondContact CB-O 3.4Å; C106-A429 PolarHBondContact N-O 3.09Å; C106-V430 WeakPolarHBondContact CA-O 3.35Å; C106-V430 VanDerWaalsContact CB-O 3.22Å; C106-V430 WeakPolarHBondContact CB-O 3.16Å; C106-T451 HydrophobicContact CB-CG2 4.02Å; C106-T451 WeakPolarHBondContact O-CG2 3.27Å
107	Y	93.8	Very high	88.9	Confident	45 Å²	45	63 Å²	63	18%	0.176	32%	0.322	C	S	.	.	H	α-helix	trans	-92.4	-17.5	173.7	-70.8	-82.6	0	0	0	113.3	V101 S102 L104 P105 I435 L445 V447 T451	V101-Y107 HydrophobicContact CG1-CE2 4.26Å; V101-Y107 WeakPolarHBondContact O-CD2 3.42Å; V101-Y107 WeakPolarHBondContact O-CE2 3.43Å; S102-Y107 WeakPolarHBondContact O-CB 3.33Å; L104-Y107 HydrophobicContact CB-CD2 4.32Å; L104-Y107 PolarHBondContact O-N 3.49Å; P105-Y107 PolarHBondContact O-N 2.88Å; P105-Y107 VanDerWaalsContact O-N 3.12Å; Y107-I435 HydrophobicContact CE2-CG2 4.33Å; Y107-L445 PolarHBondContact OH-O 3.46Å; Y107-V447 WeakPolarHBondContact OH-CG2 3.42Å; Y107-T451 HydrophobicContact CD1-CG2 3.8Å; Y107-T451 HydrophobicContact CD2-CG2 4.2Å; Y107-T451 HydrophobicContact CE1-CG2 3.7Å; Y107-T451 HydrophobicContact CE2-CG2 4.09Å; Y107-T451 HydrophobicContact CG-CG2 4.05Å
108	Q	88.6	Confident	89	Confident	114 Å²	114	57.9 Å²	57.9	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-104.7	-30	-170.9	-59.5	-60.2	-43.3	0	0	112.4	S102 L104 P105	S102-Q108 PolarHBondContact O-NE2 2.96Å; L104-Q108 WeakPolarHBondContact O-CG 3Å; P105-Q108 PolarHBondContact O-N 3.31Å
109	F	84.9	Confident	88.9	Confident	107 Å²	107	63.6 Å²	63.6	47%	0.469	33%	0.329	S	S	.	.	S	Bend	trans	-134.6	149.7	-172.5	-45.1	-69	0	0	0	111.5	P105	P105-F109 HydrophobicContact CB-CD2 4.14Å; P105-F109 PolarHBondContact O-N 2.84Å
110	V	89.8	Confident	88.8	Confident	88 Å²	88	64.1 Å²	64.1	53%	0.533	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-75.2	129	166	-179.1	0	0	0	0	107.7	C114 Y452	V110-C114 HydrophobicContact CG1-CB 4.17Å; V110-Y452 HydrophobicContact CB-CE2 4.49Å; V110-Y452 HydrophobicContact CG1-CE2 3.93Å; V110-Y452 HydrophobicContact CG2-CE2 4.32Å
111	P	87.7	Confident	88.8	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-58.5	150.6	176	-25.1	35.1	0	0	0	111.9	C114 V430 F431 Y452	P111-C114 HydrophobicContact CB-CB 4.27Å; P111-C114 WeakPolarHBondContact O-CB 3.34Å; P111-C114 PolarHBondContact O-N 3.09Å; P111-V430 HydrophobicContact CB-CG1 3.55Å; P111-V430 HydrophobicContact CG-CG1 3.85Å; P111-V430 WeakPolarHBondContact CG-O 3.38Å; P111-F431 HydrophobicContact CB-CD1 4.47Å; P111-F431 HydrophobicContact CB-CE1 3.87Å; P111-F431 HydrophobicContact CB-CZ 4.06Å; P111-F431 HydrophobicContact CG-CD1 4.07Å; P111-F431 HydrophobicContact CG-CE1 3.92Å; P111-Y452 VanDerWaalsContact CD-CD2 3.49Å; P111-Y452 HydrophobicContact CG-CD2 4.23Å; P111-Y452 HydrophobicContact CG-CG 4.33Å
112	P	82	Confident	88.8	Confident	81 Å²	81	58.7 Å²	58.7	53%	0.526	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	144.6	174.1	-24.7	34.3	0	0	0	111.7	C114	P112-C114 PolarHBondContact O-N 3Å
113	D	83	Confident	88.5	Confident	53 Å²	53	60.5 Å²	60.5	28%	0.283	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	1.1	179.6	-54.8	-46.5	0	0	0	116.5	Y115 W116 Y461	D113-Y115 VanDerWaalsContact O-CD2 3.26Å; D113-Y115 WeakPolarHBondContact O-CD2 3.49Å; D113-Y115 PolarHBondContact O-N 2.93Å; D113-W116 VanDerWaalsContact O-CH2 3.29Å; D113-W116 WeakPolarHBondContact O-CH2 3.34Å; D113-W116 WeakPolarHBondContact O-CZ3 3.48Å; D113-Y461 WeakPolarHBondContact CB-OH 3.37Å
114	C	84.8	Confident	88	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.034	31%	0.311	C	S	.	.			trans	-84.3	74.8	-179.9	-67.4	0	0	0	0	112.7	V110 P111 P112 W116 Y452	V110-C114 HydrophobicContact CG1-CB 4.17Å; P111-C114 HydrophobicContact CB-CB 4.27Å; P111-C114 WeakPolarHBondContact O-CB 3.34Å; P111-C114 PolarHBondContact O-N 3.09Å; P112-C114 PolarHBondContact O-N 3Å; C114-W116 VanDerWaalsContact C-N 3.32Å; C114-W116 HydrophobicContact CB-CH2 4.3Å; C114-W116 HydrophobicContact CB-CZ2 3.96Å; C114-W116 WeakPolarHBondContact SG-CZ2 3.43Å; C114-Y452 HydrophobicContact CB-CD1 4.13Å; C114-Y452 HydrophobicContact CB-CE1 4.15Å
115	Y	84.5	Confident	87.8	Confident	205 Å²	205	62.9 Å²	62.9	80%	0.804	32%	0.317	S	S	*	.			trans	-87.5	2.4	175.7	-53.3	-75.6	0	0	0	114.1	D113	D113-Y115 VanDerWaalsContact O-CD2 3.26Å; D113-Y115 WeakPolarHBondContact O-CD2 3.49Å; D113-Y115 PolarHBondContact O-N 2.93Å
116	W	89	Confident	87.9	Confident	31 Å²	31	64.9 Å²	64.9	12%	0.117	33%	0.331	C	S	.	.	S	Bend	trans	-95.6	178.6	-176.7	53	85	0	0	0	112.9	D113 C114 Y452 Y457 R460 Y461	D113-W116 VanDerWaalsContact O-CH2 3.29Å; D113-W116 WeakPolarHBondContact O-CH2 3.34Å; D113-W116 WeakPolarHBondContact O-CZ3 3.48Å; C114-W116 VanDerWaalsContact C-N 3.32Å; C114-W116 HydrophobicContact CB-CH2 4.3Å; C114-W116 HydrophobicContact CB-CZ2 3.96Å; C114-W116 WeakPolarHBondContact SG-CZ2 3.43Å; W116-Y452 WeakPolarHBondContact O-CE1 3.12Å; W116-Y457 AromaticContact CH2-CD2 3.95Å; W116-Y457 HydrophobicContact CH2-CD2 3.95Å; W116-Y457 HydrophobicContact CZ2-CD2 4.11Å; W116-R460 VanDerWaalsContact CZ3-CD 3.43Å; W116-Y461 HydrophobicContact CH2-CE2 4.04Å
117	S	89.8	Confident	87.8	Confident	49 Å²	49	65 Å²	65	34%	0.343	33%	0.332	S	S	.	.			trans	-64.9	147.9	-178.1	70	0	0	0	0	111.5	E119 E120	S117-E119 WeakPolarHBondContact CB-OE2 3.44Å; S117-E119 PolarHBondContact O-N 3.49Å; S117-E120 PolarHBondContact N-OE1 3.06Å; S117-E120 PolarHBondContact O-N 3.44Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-OE1 3.22Å
118	R	89.6	Confident	87.7	Confident	89 Å²	89	68.2 Å²	68.2	34%	0.336	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.7	-178.6	-176	178.7	-70.2	178.8	-2.7	111.6	E120 W122 Q449 S450 T451 Y452	R118-E120 VanDerWaalsContact C-N 3.28Å; R118-E120 PolarHBondContact O-N 3.43Å; R118-W122 PolarHBondContact O-NE1 3.21Å; R118-Q449 WeakPolarHBondContact CD-O 3.24Å; R118-Q449 PolarHBondContact NH1-O 3.06Å; R118-S450 PolarHBondContact NH1-O 3.08Å; R118-T451 WeakPolarHBondContact CG-O 3.42Å; R118-Y452 HydrophobicContact CB-CE1 4.3Å
119	E	88	Confident	87.8	Confident	133 Å²	133	66.1 Å²	66.1	62%	0.621	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.1	-178.6	-61.4	71.5	-156	0	0	112.1	S117 G121 W122	S117-E119 WeakPolarHBondContact CB-OE2 3.44Å; S117-E119 PolarHBondContact O-N 3.49Å; E119-G121 PolarHBondContact O-N 2.76Å; E119-W122 PolarHBondContact O-N 2.89Å
120	E	88.5	Confident	88.1	Confident	61 Å²	61	61.3 Å²	61.3	29%	0.285	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	130.1	178.6	-87.4	168.2	-114	0	0	112.3	S117 R118 W122 R460	S117-E120 PolarHBondContact N-OE1 3.06Å; S117-E120 PolarHBondContact O-N 3.44Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.26Å; S117-E120 PolarHBondContact OG-OE1 3.22Å; R118-E120 VanDerWaalsContact C-N 3.28Å; R118-E120 PolarHBondContact O-N 3.43Å; E120-W122 VanDerWaalsContact C-N 3.32Å; E120-R460 IonicContact OE2-CZ 3.7Å; E120-R460 IonicContact OE2-NH2 2.79Å; E120-R460 PolarHBondContact OE2-NH2 2.6Å
121	G	89.4	Confident	88.2	Confident	6 Å²	6	57.1 Å²	57.1	6%	0.062	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-8.4	179.6	0	0	0	0	0	115	E119 T124 S453	E119-G121 PolarHBondContact O-N 2.76Å; G121-T124 PolarHBondContact O-OG1 2.88Å; G121-T124 VanDerWaalsContact O-OG1 3.1Å; G121-S453 VanDerWaalsContact C-CB 3.44Å; G121-S453 WeakPolarHBondContact O-CB 3.12Å; G121-S453 PolarHBondContact O-OG 3.34Å
122	W	93	Very high	88.4	Confident	29 Å²	29	61.3 Å²	61.3	11%	0.11	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-28.4	171.5	-68	121.2	0	0	0	112.7	R118 E119 E120 V447 Q448 T451	R118-W122 PolarHBondContact O-NE1 3.21Å; E119-W122 PolarHBondContact O-N 2.89Å; E120-W122 VanDerWaalsContact C-N 3.32Å; W122-V447 HydrophobicContact CH2-CG1 3.74Å; W122-V447 HydrophobicContact CZ2-CG1 4.13Å; W122-Q448 HydrophobicContact CD2-CB 4.1Å; W122-Q448 HydrophobicContact CD2-CG 3.84Å; W122-Q448 HydrophobicContact CE3-CG 3.76Å; W122-Q448 HydrophobicContact CG-CB 4.15Å; W122-Q448 HydrophobicContact CG-CG 4.21Å; W122-Q448 HydrophobicContact CZ3-CG 4.24Å; W122-Q448 PolarHBondContact NE1-O 2.97Å; W122-T451 WeakPolarHBondContact CZ2-OG1 3.46Å; W122-T451 PolarHBondContact NE1-O 3.02Å
123	S	84.9	Confident	88.8	Confident	106 Å²	106	58.6 Å²	58.6	74%	0.741	30%	0.299	S	S	*	.	S	Bend	trans	-90.9	0.3	178.1	54.8	0	0	0	0	114.2	F125	S123-F125 PolarHBondContact O-N 3.1Å
124	T	81.4	Confident	89.3	Confident	68 Å²	68	57 Å²	57	42%	0.417	29%	0.29	S	S	.	.	S	Bend	trans	-69.1	-19.6	-176.8	50.3	0	0	0	0	113.5	G121	G121-T124 PolarHBondContact O-OG1 2.88Å; G121-T124 VanDerWaalsContact O-OG1 3.1Å
125	F	88.4	Confident	89.5	Confident	30 Å²	30	58.9 Å²	58.9	13%	0.132	31%	0.31	C	S	.	.			trans	-133.4	132.1	-179.6	176.8	-101	0	0	0	111.2	S123 L127 Q130 A362 E365 K366	S123-F125 PolarHBondContact O-N 3.1Å; F125-L127 HydrophobicContact CE1-CB 4.21Å; F125-L127 HydrophobicContact CZ-CB 4.45Å; F125-L127 HydrophobicContact CZ-CD1 4.22Å; F125-Q130 HydrophobicContact CE2-CB 3.71Å; F125-Q130 HydrophobicContact CE2-CG 4.03Å; F125-Q130 HydrophobicContact CZ-CB 3.92Å; F125-Q130 HydrophobicContact CZ-CG 4.29Å; F125-A362 HydrophobicContact CD2-CB 3.43Å; F125-A362 VanDerWaalsContact CD2-CB 3.43Å; F125-A362 HydrophobicContact CE2-CB 3.59Å; F125-A362 HydrophobicContact CG-CB 4.49Å; F125-E365 HydrophobicContact CB-CB 4.39Å; F125-E365 HydrophobicContact CB-CG 4.32Å; F125-E365 HydrophobicContact CD1-CB 3.43Å; F125-E365 VanDerWaalsContact CD1-CB 3.43Å; F125-E365 HydrophobicContact CD1-CG 4.13Å; F125-E365 HydrophobicContact CE1-CB 3.79Å; F125-E365 HydrophobicContact CG-CB 3.9Å; F125-E365 HydrophobicContact CG-CG 4.37Å; F125-K366 HydrophobicContact CE1-CB 4.37Å; F125-K366 HydrophobicContact CZ-CB 3.88Å
126	S	91	Very high	89.9	Confident	52 Å²	52	49.3 Å²	49.3	36%	0.364	27%	0.273	S	S	.	.			trans	-126.6	127	169.6	167.4	0	0	0	0	109.2	K128 S129 Q130	S126-K128 PolarHBondContact O-N 3.47Å; S126-K128 PolarHBondContact OG-N 3.1Å; S126-S129 WeakPolarHBondContact CB-OG 3.47Å; S126-S129 PolarHBondContact O-N 3.2Å; S126-S129 VanDerWaalsContact O-N 3.1Å; S126-S129 PolarHBondContact OG-N 3.5Å; S126-S129 PolarHBondContact OG-OG 2.9Å; S126-Q130 PolarHBondContact O-N 3.45Å
127	L	91.6	Very high	90.2	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-32.3	178.3	-175.5	55.7	0	0	0	111.6	F125 Q130 Y131 P157 V159 K366	F125-L127 HydrophobicContact CE1-CB 4.21Å; F125-L127 HydrophobicContact CZ-CB 4.45Å; F125-L127 HydrophobicContact CZ-CD1 4.22Å; L127-Q130 PolarHBondContact O-N 3.23Å; L127-Y131 HydrophobicContact CD1-CD2 3.9Å; L127-Y131 HydrophobicContact CD1-CE2 3.47Å; L127-Y131 VanDerWaalsContact CD1-CE2 3.47Å; L127-Y131 HydrophobicContact CD2-CE2 3.99Å; L127-Y131 HydrophobicContact CG-CD2 3.83Å; L127-Y131 HydrophobicContact CG-CE2 3.51Å; L127-Y131 WeakPolarHBondContact O-CD2 3.12Å; L127-Y131 PolarHBondContact O-N 3.45Å; L127-P157 HydrophobicContact CD2-CB 3.84Å; L127-P157 HydrophobicContact CD2-CG 3.89Å; L127-V159 HydrophobicContact CD2-CB 3.91Å; L127-V159 HydrophobicContact CD2-CG1 4.35Å; L127-V159 HydrophobicContact CG-CB 4.26Å; L127-V159 HydrophobicContact CG-CG1 4.24Å; L127-K366 HydrophobicContact CD1-CB 4.39Å; L127-K366 HydrophobicContact CD1-CD 3.6Å; L127-K366 HydrophobicContact CD1-CG 3.65Å
128	K	92.3	Very high	90.4	Very high	112 Å²	112	51.9 Å²	51.9	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-46.8	173.1	-69.2	-178.3	-180	177.4	0	111.5	S126 Q130 Y131 N132 V159	S126-K128 PolarHBondContact O-N 3.47Å; S126-K128 PolarHBondContact OG-N 3.1Å; K128-Q130 PolarHBondContact O-N 2.93Å; K128-Y131 PolarHBondContact O-N 3.1Å; K128-Y131 VanDerWaalsContact O-N 3.16Å; K128-N132 PolarHBondContact O-N 3.42Å; K128-N132 PolarHBondContact O-OD1 2.97Å; K128-V159 HydrophobicContact CG-CG1 4.07Å; K128-V159 HydrophobicContact CG-CG2 4.17Å
129	S	90.1	Very high	90.7	Very high	70 Å²	70	57 Å²	57	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-36.1	177.1	-53.4	0	0	0	0	111.3	S126 N132 R133	S126-S129 WeakPolarHBondContact CB-OG 3.47Å; S126-S129 PolarHBondContact O-N 3.2Å; S126-S129 VanDerWaalsContact O-N 3.1Å; S126-S129 PolarHBondContact OG-N 3.5Å; S126-S129 PolarHBondContact OG-OG 2.9Å; S129-N132 WeakPolarHBondContact O-CB 3.45Å; S129-N132 PolarHBondContact O-N 3.28Å; S129-R133 PolarHBondContact O-N 3.03Å
130	Q	90.8	Very high	91.1	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-41.8	174.4	-171.5	62.7	6.3	0	0	113.2	F125 S126 L127 K128 R133 F134 Y354 K366	F125-Q130 HydrophobicContact CE2-CB 3.71Å; F125-Q130 HydrophobicContact CE2-CG 4.03Å; F125-Q130 HydrophobicContact CZ-CB 3.92Å; F125-Q130 HydrophobicContact CZ-CG 4.29Å; S126-Q130 PolarHBondContact O-N 3.45Å; L127-Q130 PolarHBondContact O-N 3.23Å; K128-Q130 PolarHBondContact O-N 2.93Å; Q130-R133 VanDerWaalsContact O-CB 3.26Å; Q130-R133 WeakPolarHBondContact O-CB 3.37Å; Q130-R133 PolarHBondContact O-N 3.29Å; Q130-F134 HydrophobicContact CG-CE2 4.14Å; Q130-F134 HydrophobicContact CG-CZ 4.12Å; Q130-F134 WeakPolarHBondContact O-CD2 3.31Å; Q130-F134 PolarHBondContact O-N 3.21Å; Q130-Y354 PolarHBondContact NE2-OH 3.09Å; Q130-K366 HydrophobicContact CG-CD 3.99Å
131	Y	92.6	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-35.4	173.9	-75.4	-64.8	0	0	0	111.8	L127 K128 R133 F134 G135 L136 V159 Y161 L186	L127-Y131 HydrophobicContact CD1-CD2 3.9Å; L127-Y131 HydrophobicContact CD1-CE2 3.47Å; L127-Y131 VanDerWaalsContact CD1-CE2 3.47Å; L127-Y131 HydrophobicContact CD2-CE2 3.99Å; L127-Y131 HydrophobicContact CG-CD2 3.83Å; L127-Y131 HydrophobicContact CG-CE2 3.51Å; L127-Y131 WeakPolarHBondContact O-CD2 3.12Å; L127-Y131 PolarHBondContact O-N 3.45Å; K128-Y131 PolarHBondContact O-N 3.1Å; K128-Y131 VanDerWaalsContact O-N 3.16Å; Y131-R133 VanDerWaalsContact C-N 3.27Å; Y131-R133 PolarHBondContact O-N 2.84Å; Y131-F134 AromaticContact CD1-CD2 3.82Å; Y131-F134 HydrophobicContact CD1-CD2 3.82Å; Y131-F134 HydrophobicContact CD1-CE2 4.17Å; Y131-F134 HydrophobicContact CE1-CD2 4.46Å; Y131-F134 HydrophobicContact CE1-CE2 4.49Å; Y131-F134 WeakPolarHBondContact O-CA 3.11Å; Y131-F134 WeakPolarHBondContact O-CB 3.2Å; Y131-F134 PolarHBondContact O-N 3.4Å; Y131-G135 PolarHBondContact O-N 3.33Å; Y131-L136 HydrophobicContact CD1-CD1 3.67Å; Y131-L136 HydrophobicContact CG-CD1 4.42Å; Y131-L136 VanDerWaalsContact O-CB 3.31Å; Y131-L136 WeakPolarHBondContact O-CB 3.45Å; Y131-L136 PolarHBondContact O-N 3.14Å; Y131-L136 VanDerWaalsContact O-N 3.14Å; Y131-V159 HydrophobicContact CD2-CG1 4.08Å; Y131-V159 HydrophobicContact CE2-CG1 4.2Å; Y131-Y161 VanDerWaalsContact CB-CE2 3.49Å; Y131-Y161 AromaticContact CD1-CD2 3.75Å; Y131-Y161 HydrophobicContact CD1-CD2 3.75Å; Y131-Y161 HydrophobicContact CD1-CE2 4.14Å; Y131-Y161 HydrophobicContact CD1-CG 4.27Å; Y131-Y161 AromaticContact CD2-CD2 3.48Å; Y131-Y161 HydrophobicContact CD2-CD2 3.48Å; Y131-Y161 VanDerWaalsContact CD2-CD2 3.48Å; Y131-Y161 AromaticContact CD2-CE2 3.42Å; Y131-Y161 HydrophobicContact CD2-CE2 3.42Å; Y131-Y161 VanDerWaalsContact CD2-CE2 3.42Å; Y131-Y161 HydrophobicContact CE1-CD2 4.02Å; Y131-Y161 HydrophobicContact CE1-CG 4.49Å; Y131-Y161 AromaticContact CE2-CD2 3.74Å; Y131-Y161 HydrophobicContact CE2-CD2 3.74Å; Y131-Y161 HydrophobicContact CE2-CE2 4.12Å; Y131-Y161 AromaticContact CG-CD2 3.49Å; Y131-Y161 HydrophobicContact CG-CD2 3.49Å; Y131-Y161 VanDerWaalsContact CG-CD2 3.49Å; Y131-Y161 AromaticContact CG-CE2 3.43Å; Y131-Y161 HydrophobicContact CG-CE2 3.43Å; Y131-Y161 VanDerWaalsContact CG-CE2 3.43Å; Y131-Y161 HydrophobicContact CG-CG 4.38Å; Y131-L186 HydrophobicContact CE1-CD2 4.42Å; Y131-L186 PolarHBondContact OH-O 3.39Å
132	N	91.7	Very high	91.9	Very high	95 Å²	95	52.2 Å²	52.2	51%	0.508	29%	0.29	S	S	.	.	H	α-helix	trans	-59.9	-38.9	172.3	-66.3	-7.8	0	0	0	111.2	K128 S129 F134 G135 L136	K128-N132 PolarHBondContact O-N 3.42Å; K128-N132 PolarHBondContact O-OD1 2.97Å; S129-N132 WeakPolarHBondContact O-CB 3.45Å; S129-N132 PolarHBondContact O-N 3.28Å; N132-F134 PolarHBondContact O-N 3.32Å; N132-G135 WeakPolarHBondContact O-CA 3.43Å; N132-G135 PolarHBondContact O-N 3.4Å; N132-L136 PolarHBondContact OD1-O 3.37Å; N132-L136 VanDerWaalsContact OD1-O 3.11Å
133	R	91.5	Very high	92.1	Very high	24 Å²	24	54 Å²	54	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-31.2	172.1	-164.5	-178.2	66.3	86.1	-5.1	112.2	S129 Q130 Y131 G135 D351 Y353 Y519	S129-R133 PolarHBondContact O-N 3.03Å; Q130-R133 VanDerWaalsContact O-CB 3.26Å; Q130-R133 WeakPolarHBondContact O-CB 3.37Å; Q130-R133 PolarHBondContact O-N 3.29Å; Y131-R133 VanDerWaalsContact C-N 3.27Å; Y131-R133 PolarHBondContact O-N 2.84Å; R133-G135 PolarHBondContact O-N 2.97Å; R133-D351 IonicContact CZ-OD2 2.79Å; R133-D351 VanDerWaalsContact CZ-OD2 3.27Å; R133-D351 IonicContact NH1-OD1 3.54Å; R133-D351 IonicContact NH1-OD2 3.08Å; R133-D351 PolarHBondContact NH1-OD2 3.16Å; R133-D351 IonicContact NH2-OD2 3.54Å; R133-D351 PolarHBondContact NH2-OD2 2.99Å; R133-Y353 VanDerWaalsContact NH2-CD1 3.3Å; R133-Y519 HydrophobicContact CB-CE2 4.28Å; R133-Y519 HydrophobicContact CG-CD2 3.97Å; R133-Y519 HydrophobicContact CG-CE1 4.25Å; R133-Y519 HydrophobicContact CG-CE2 3.23Å; R133-Y519 WeakPolarHBondContact CG-OH 3.3Å; R133-Y519 WeakPolarHBondContact O-CD2 3.38Å; R133-Y519 WeakPolarHBondContact O-CE2 3.5Å
134	F	91.6	Very high	92.6	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.088	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	2.7	174.6	-55.4	-40.4	0	0	0	114.2	Q130 Y131 N132 L136 Y188 L189 Y354	Q130-F134 HydrophobicContact CG-CE2 4.14Å; Q130-F134 HydrophobicContact CG-CZ 4.12Å; Q130-F134 WeakPolarHBondContact O-CD2 3.31Å; Q130-F134 PolarHBondContact O-N 3.21Å; Y131-F134 AromaticContact CD1-CD2 3.82Å; Y131-F134 HydrophobicContact CD1-CD2 3.82Å; Y131-F134 HydrophobicContact CD1-CE2 4.17Å; Y131-F134 HydrophobicContact CE1-CD2 4.46Å; Y131-F134 HydrophobicContact CE1-CE2 4.49Å; Y131-F134 WeakPolarHBondContact O-CA 3.11Å; Y131-F134 WeakPolarHBondContact O-CB 3.2Å; Y131-F134 PolarHBondContact O-N 3.4Å; N132-F134 PolarHBondContact O-N 3.32Å; F134-L136 HydrophobicContact CB-CD1 3.89Å; F134-L136 HydrophobicContact CB-CG 4.19Å; F134-L136 HydrophobicContact CD2-CD1 4.28Å; F134-Y188 HydrophobicContact CD1-CD2 4.19Å; F134-Y188 HydrophobicContact CD1-CE2 4.34Å; F134-Y188 AromaticContact CE1-CD2 3.41Å; F134-Y188 HydrophobicContact CE1-CD2 3.41Å; F134-Y188 VanDerWaalsContact CE1-CD2 3.41Å; F134-Y188 AromaticContact CE1-CE2 3.73Å; F134-Y188 HydrophobicContact CE1-CE2 3.73Å; F134-Y188 HydrophobicContact CE2-CD2 4.49Å; F134-Y188 AromaticContact CZ-CD2 3.6Å; F134-Y188 HydrophobicContact CZ-CD2 3.6Å; F134-Y188 HydrophobicContact CZ-CE2 4.36Å; F134-Y188 HydrophobicContact CZ-CG 4.47Å; F134-L189 HydrophobicContact CB-CB 4.15Å; F134-Y354 VanDerWaalsContact CZ-OH 3.28Å; F134-Y354 WeakPolarHBondContact CZ-OH 3.25Å
135	G	90.6	Very high	93.3	Very high	43 Å²	43	51 Å²	51	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	37.6	-173.8	0	0	0	0	0	112.7	Y131 N132 R133 N138	Y131-G135 PolarHBondContact O-N 3.33Å; N132-G135 WeakPolarHBondContact O-CA 3.43Å; N132-G135 PolarHBondContact O-N 3.4Å; R133-G135 PolarHBondContact O-N 2.97Å; G135-N138 WeakPolarHBondContact O-CB 3.2Å
136	L	93.1	Very high	93.7	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	27%	0.269	C	S	.	.			trans	-115.6	147.2	-179.9	-63.4	164.8	0	0	0	112	Y131 N132 F134 W141 Y161 L186 L189	Y131-L136 HydrophobicContact CD1-CD1 3.67Å; Y131-L136 HydrophobicContact CG-CD1 4.42Å; Y131-L136 VanDerWaalsContact O-CB 3.31Å; Y131-L136 WeakPolarHBondContact O-CB 3.45Å; Y131-L136 PolarHBondContact O-N 3.14Å; Y131-L136 VanDerWaalsContact O-N 3.14Å; N132-L136 PolarHBondContact OD1-O 3.37Å; N132-L136 VanDerWaalsContact OD1-O 3.11Å; F134-L136 HydrophobicContact CB-CD1 3.89Å; F134-L136 HydrophobicContact CB-CG 4.19Å; F134-L136 HydrophobicContact CD2-CD1 4.28Å; L136-W141 HydrophobicContact CD2-CB 3.35Å; L136-W141 HydrophobicContact CD2-CG 4Å; L136-Y161 HydrophobicContact CB-CD1 3.99Å; L136-Y161 HydrophobicContact CB-CE1 3.62Å; L136-Y161 HydrophobicContact CD1-CD1 4.36Å; L136-Y161 HydrophobicContact CD2-CD1 4.4Å; L136-L186 HydrophobicContact CD1-CD2 3.34Å; L136-L186 HydrophobicContact CD2-CD2 4.32Å; L136-L186 HydrophobicContact CG-CD2 4.47Å; L136-L189 HydrophobicContact CD2-CD2 4Å; L136-L189 HydrophobicContact CG-CD2 4.29Å
137	P	94.9	Very high	94	Very high	85 Å²	85	47.3 Å²	47.3	55%	0.552	25%	0.252	S	S	*	.	S	Bend	cis	-67.2	157.7	-4	30.6	-35.6	0	0	0	112.7	W141 Y161	P137-W141 WeakPolarHBondContact CA-O 3.34Å; P137-Y161 HydrophobicContact CB-CE1 3.97Å
138	N	93.9	Very high	94.2	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	28%	0.278	S	S	.	.			trans	-139	-170.7	172.9	66.4	29.6	0	0	0	110.5	G135 F140 W141	G135-N138 WeakPolarHBondContact O-CB 3.2Å; N138-F140 VanDerWaalsContact C-N 3.27Å; N138-F140 PolarHBondContact O-N 3.48Å; N138-F140 PolarHBondContact OD1-N 3.39Å; N138-W141 PolarHBondContact N-O 2.87Å; N138-W141 VanDerWaalsContact O-O 3.09Å; N138-W141 PolarHBondContact OD1-N 3.23Å
139	Y	94.9	Very high	94.4	Very high	197 Å²	197	52.7 Å²	52.7	77%	0.773	28%	0.28	S	S	*	.	S	Bend	trans	-56.4	-40.3	-179.8	-176.9	-99.3	0	0	0	113	S164	Y139-S164 WeakPolarHBondContact O-CB 3.48Å; Y139-S164 PolarHBondContact O-OG 2.76Å
140	F	96.5	Very high	94.8	Very high	60 Å²	60	50.4 Å²	50.4	26%	0.263	26%	0.261	S	S	.	.	S	Bend	trans	-89.4	-26.1	-174.5	-59.9	-70.8	0	0	0	113.9	N138 P163 S164 P226	N138-F140 VanDerWaalsContact C-N 3.27Å; N138-F140 PolarHBondContact O-N 3.48Å; N138-F140 PolarHBondContact OD1-N 3.39Å; F140-P163 CarbonylContact O-C 3.4Å; F140-P163 VanDerWaalsContact O-CA 3.3Å; F140-P163 WeakPolarHBondContact O-CA 3.25Å; F140-S164 VanDerWaalsContact C-OG 3.22Å; F140-S164 PolarHBondContact O-N 3.14Å; F140-S164 PolarHBondContact O-OG 3.13Å; F140-P226 HydrophobicContact CZ-CG 3.95Å
141	W	97.6	Very high	94.9	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.2	-171.5	-65.3	93.9	0	0	0	112.2	L136 P137 N138 V162 P163 S164 L186 A196 I221	L136-W141 HydrophobicContact CD2-CB 3.35Å; L136-W141 HydrophobicContact CD2-CG 4Å; P137-W141 WeakPolarHBondContact CA-O 3.34Å; N138-W141 PolarHBondContact N-O 2.87Å; N138-W141 VanDerWaalsContact O-O 3.09Å; N138-W141 PolarHBondContact OD1-N 3.23Å; W141-V162 VanDerWaalsContact CE3-C 3.46Å; W141-P163 HydrophobicContact CE3-CG 4.42Å; W141-P163 HydrophobicContact CH2-CG 4.09Å; W141-P163 HydrophobicContact CZ3-CG 3.92Å; W141-S164 VanDerWaalsContact C-OG 3.26Å; W141-S164 WeakPolarHBondContact CA-OG 3.44Å; W141-S164 PolarHBondContact N-OG 3.2Å; W141-S164 VanDerWaalsContact N-OG 3.16Å; W141-L186 HydrophobicContact CD2-CD1 4.3Å; W141-L186 HydrophobicContact CD2-CD2 4.04Å; W141-L186 HydrophobicContact CE3-CB 3.94Å; W141-L186 HydrophobicContact CE3-CD1 4.19Å; W141-L186 HydrophobicContact CE3-CD2 3.97Å; W141-L186 HydrophobicContact CE3-CG 4.27Å; W141-L186 HydrophobicContact CG-CD2 4.33Å; W141-L186 HydrophobicContact CH2-CB 4.49Å; W141-L186 HydrophobicContact CH2-CD1 3.94Å; W141-L186 HydrophobicContact CZ2-CD1 4.06Å; W141-L186 HydrophobicContact CZ3-CB 3.79Å; W141-L186 HydrophobicContact CZ3-CD1 4Å; W141-L186 HydrophobicContact CZ3-CG 4.33Å; W141-A196 HydrophobicContact CH2-CB 3.89Å; W141-A196 HydrophobicContact CZ2-CB 3.27Å; W141-I221 HydrophobicContact CH2-CB 4.43Å; W141-I221 HydrophobicContact CH2-CG1 4.06Å; W141-I221 HydrophobicContact CH2-CG2 4.18Å
142	S	97.2	Very high	95	Very high	38 Å²	38	57.2 Å²	57.2	27%	0.266	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.7	-177.9	67.4	0	0	0	0	112.3	Y161 V162 S164	S142-Y161 WeakPolarHBondContact O-CA 3.5Å; S142-V162 PolarHBondContact N-O 2.95Å; S142-V162 PolarHBondContact O-N 3.04Å; S142-S164 PolarHBondContact N-OG 3.38Å
143	L	97.2	Very high	95.3	Very high	65 Å²	65	52.8 Å²	52.8	34%	0.34	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.9	171.5	178	68.1	0	0	0	109.4	V159 Y161	L143-V159 HydrophobicContact CD1-CB 4.46Å; L143-V159 HydrophobicContact CD1-CG1 3.69Å; L143-Y161 HydrophobicContact CB-CE1 4.12Å; L143-Y161 HydrophobicContact CB-CE2 4.41Å; L143-Y161 HydrophobicContact CD1-CD2 4.28Å; L143-Y161 HydrophobicContact CD1-CE2 3.89Å
144	T	96.6	Very high	95.6	Very high	12 Å²	12	55.3 Å²	55.3	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.9	172.1	-175.2	0	0	0	0	111.6	V146 L160 V162 L171	T144-V146 HydrophobicContact CG2-CG2 3.82Å; T144-V146 WeakPolarHBondContact OG1-CG1 3.39Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.35Å; T144-V146 PolarHBondContact OG1-N 3.25Å; T144-L160 HydrophobicContact CG2-CB 3.86Å; T144-L160 WeakPolarHBondContact CG2-O 3.47Å; T144-L160 PolarHBondContact N-O 2.78Å; T144-V162 HydrophobicContact CG2-CG1 3.82Å; T144-V162 HydrophobicContact CG2-CG2 3.91Å; T144-L171 HydrophobicContact CG2-CD1 4.24Å
145	N	95.4	Very high	95.9	Very high	99 Å²	99	55.1 Å²	55.1	53%	0.529	29%	0.286	S	S	.	.			trans	-92.4	5.2	177.1	-71.3	-31	0	0	0	113.1	N147 K148	N145-N147 PolarHBondContact O-N 2.95Å; N145-K148 WeakPolarHBondContact O-CB 3.23Å; N145-K148 PolarHBondContact O-N 3.24Å
146	V	96.6	Very high	96.2	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.03	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.6	-173.4	-64.7	0	0	0	0	114.3	T144 I152 K168 L171 F183	T144-V146 HydrophobicContact CG2-CG2 3.82Å; T144-V146 WeakPolarHBondContact OG1-CG1 3.39Å; T144-V146 WeakPolarHBondContact OG1-CG2 3.35Å; T144-V146 PolarHBondContact OG1-N 3.25Å; V146-I152 HydrophobicContact CB-CD1 3.54Å; V146-I152 HydrophobicContact CB-CG1 4.47Å; V146-I152 HydrophobicContact CG1-CD1 4.34Å; V146-I152 HydrophobicContact CG2-CD1 3.78Å; V146-K168 HydrophobicContact CG1-CB 3.99Å; V146-K168 HydrophobicContact CG1-CD 4.01Å; V146-K168 HydrophobicContact CG1-CG 3.69Å; V146-L171 HydrophobicContact CG1-CD1 4.03Å; V146-L171 HydrophobicContact CG2-CD1 3.91Å; V146-F183 HydrophobicContact CG2-CZ 4.19Å
147	N	97.2	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	13.5	177.2	-151.9	49.4	0	0	0	113.3	N145 N149 F150 I152 C153 Y156 P157 P158 L160	N145-N147 PolarHBondContact O-N 2.95Å; N147-N149 PolarHBondContact O-N 3.32Å; N147-N149 VanDerWaalsContact O-N 3.08Å; N147-F150 PolarHBondContact O-N 3Å; N147-F150 WeakPolarHBondContact OD1-CA 3.3Å; N147-I152 PolarHBondContact OD1-N 3.48Å; N147-C153 PolarHBondContact ND2-O 2.72Å; N147-C153 PolarHBondContact OD1-N 2.63Å; N147-C153 PolarHBondContact OD1-O 3Å; N147-C153 VanDerWaalsContact OD1-O 3.11Å; N147-Y156 PolarHBondContact ND2-O 3.38Å; N147-P157 PolarHBondContact ND2-O 3.24Å; N147-P158 WeakPolarHBondContact O-CA 3.37Å; N147-L160 HydrophobicContact CB-CD1 3.51Å; N147-L160 HydrophobicContact CB-CG 4.45Å
148	K	96.6	Very high	96.5	Very high	133 Å²	133	50.6 Å²	50.6	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.9	-177.2	-178.6	-179	175.9	-176.2	0	112.8	N145	N145-K148 WeakPolarHBondContact O-CB 3.23Å; N145-K148 PolarHBondContact O-N 3.24Å
149	N	96.7	Very high	96.7	Very high	100 Å²	100	49.3 Å²	49.3	54%	0.535	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	19	178.8	-53.3	-36.5	0	0	0	112.9	N147 E151	N147-N149 PolarHBondContact O-N 3.32Å; N147-N149 VanDerWaalsContact O-N 3.08Å; N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 HydrophobicContact CB-CG 4.07Å; N149-E151 WeakPolarHBondContact CB-OE1 3.26Å; N149-E151 PolarHBondContact ND2-OE1 2.87Å; N149-E151 PolarHBondContact O-N 2.65Å
150	F	97.3	Very high	96.8	Very high	21 Å²	21	40 Å²	40	9%	0.092	21%	0.206	C	C	.	.	S	Bend	trans	60.5	30.9	-179.4	-51	-82.8	0	0	0	114.7	N147 Y156 P158 E439 K440 I443	N147-F150 PolarHBondContact O-N 3Å; N147-F150 WeakPolarHBondContact OD1-CA 3.3Å; F150-Y156 VanDerWaalsContact CD1-O 3.29Å; F150-Y156 WeakPolarHBondContact CD1-O 3.39Å; F150-Y156 VanDerWaalsContact CE1-O 3.3Å; F150-Y156 WeakPolarHBondContact CE1-O 3.34Å; F150-P158 HydrophobicContact CZ-CB 4.36Å; F150-P158 HydrophobicContact CZ-CG 4.2Å; F150-E439 HydrophobicContact CE1-CB 4.2Å; F150-E439 HydrophobicContact CE1-CG 4.4Å; F150-E439 HydrophobicContact CZ-CB 4.38Å; F150-E439 HydrophobicContact CZ-CG 4.15Å; F150-K440 HydrophobicContact CB-CB 4.28Å; F150-K440 HydrophobicContact CB-CD 3.64Å; F150-K440 HydrophobicContact CB-CG 4.01Å; F150-K440 HydrophobicContact CD1-CB 3.69Å; F150-K440 HydrophobicContact CD1-CG 4.29Å; F150-K440 HydrophobicContact CD2-CB 3.92Å; F150-K440 HydrophobicContact CD2-CD 4.34Å; F150-K440 HydrophobicContact CD2-CG 3.75Å; F150-K440 HydrophobicContact CE1-CB 3.88Å; F150-K440 HydrophobicContact CE2-CB 4.11Å; F150-K440 HydrophobicContact CE2-CG 4.26Å; F150-K440 HydrophobicContact CG-CB 3.7Å; F150-K440 HydrophobicContact CG-CD 3.97Å; F150-K440 HydrophobicContact CG-CG 3.76Å; F150-K440 HydrophobicContact CZ-CB 4.09Å; F150-I443 HydrophobicContact CE2-CD1 3.84Å; F150-I443 HydrophobicContact CZ-CD1 3.76Å
151	E	93.1	Very high	96.9	Very high	130 Å²	130	37.4 Å²	37.4	61%	0.607	20%	0.195	S	C	*	.	S	Bend	trans	-77.3	-36.8	-175.5	-72	167.4	-159.9	0	0	112.6	N149	N149-E151 VanDerWaalsContact C-N 3.26Å; N149-E151 HydrophobicContact CB-CG 4.07Å; N149-E151 WeakPolarHBondContact CB-OE1 3.26Å; N149-E151 PolarHBondContact ND2-OE1 2.87Å; N149-E151 PolarHBondContact O-N 2.65Å
152	I	94.8	Very high	96.9	Very high	20 Å²	20	37.5 Å²	37.5	10%	0.103	20%	0.195	C	C	.	.	S	Bend	trans	-87.9	-44.2	-179.2	-66.1	-167.7	0	0	0	111.4	V146 N147 Y172 S175 F183	V146-I152 HydrophobicContact CB-CD1 3.54Å; V146-I152 HydrophobicContact CB-CG1 4.47Å; V146-I152 HydrophobicContact CG1-CD1 4.34Å; V146-I152 HydrophobicContact CG2-CD1 3.78Å; N147-I152 PolarHBondContact OD1-N 3.48Å; I152-Y172 HydrophobicContact CD1-CD1 3.36Å; I152-Y172 HydrophobicContact CD1-CD2 4.41Å; I152-Y172 HydrophobicContact CD1-CE1 3.28Å; I152-Y172 HydrophobicContact CD1-CE2 4.31Å; I152-Y172 HydrophobicContact CD1-CG 3.94Å; I152-Y172 HydrophobicContact CG1-CD1 3.69Å; I152-Y172 HydrophobicContact CG1-CE1 3.39Å; I152-S175 WeakPolarHBondContact CG2-OG 3.17Å; I152-F183 HydrophobicContact CB-CE1 4.49Å; I152-F183 HydrophobicContact CG2-CD1 3.88Å; I152-F183 HydrophobicContact CG2-CE1 3.66Å
153	C	97.8	Very high	97	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.183	C	C	.	.			trans	-143.4	109.4	-178.7	-173.7	0	0	0	0	110.2	N147 T155 Y156 R180 G181 R182	N147-C153 PolarHBondContact ND2-O 2.72Å; N147-C153 PolarHBondContact OD1-N 2.63Å; N147-C153 PolarHBondContact OD1-O 3Å; N147-C153 VanDerWaalsContact OD1-O 3.11Å; C153-T155 PolarHBondContact O-N 3.3Å; C153-Y156 HydrophobicContact CB-CD2 4.23Å; C153-Y156 HydrophobicContact CB-CG 4.17Å; C153-Y156 PolarHBondContact O-N 2.88Å; C153-R180 PolarHBondContact SG-O 3Å; C153-G181 WeakPolarHBondContact CB-O 3.44Å; C153-R182 WeakPolarHBondContact SG-CG 3.25Å
154	D	97.6	Very high	97	Very high	78 Å²	78	34.9 Å²	34.9	42%	0.417	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.4	-178.4	61.2	-3.4	0	0	0	114.8	K440	D154-K440 HydrophobicContact CB-CD 3.69Å; D154-K440 WeakPolarHBondContact O-CB 3.47Å
155	T	98	Very high	96.9	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.098	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	4.9	178.3	56	0	0	0	0	113.6	C153 R182 W336 F371	C153-T155 PolarHBondContact O-N 3.3Å; T155-R182 VanDerWaalsContact CB-NH1 3.28Å; T155-R182 PolarHBondContact O-NH1 2.7Å; T155-R182 PolarHBondContact OG1-NH1 2.84Å; T155-W336 HydrophobicContact CG2-CZ3 4.22Å; T155-F371 CarbonylContact O-C 3.54Å
156	Y	98.3	Very high	96.9	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.193	C	C	.	.	S	Bend	trans	-102	157.6	170.2	-90.6	8.2	0	0	0	111.4	N147 F150 C153 L160 R182 F183 V185 R199 S200 F371	N147-Y156 PolarHBondContact ND2-O 3.38Å; F150-Y156 VanDerWaalsContact CD1-O 3.29Å; F150-Y156 WeakPolarHBondContact CD1-O 3.39Å; F150-Y156 VanDerWaalsContact CE1-O 3.3Å; F150-Y156 WeakPolarHBondContact CE1-O 3.34Å; C153-Y156 HydrophobicContact CB-CD2 4.23Å; C153-Y156 HydrophobicContact CB-CG 4.17Å; C153-Y156 PolarHBondContact O-N 2.88Å; Y156-L160 HydrophobicContact CD2-CD1 3.92Å; Y156-L160 HydrophobicContact CD2-CD2 4Å; Y156-L160 HydrophobicContact CG-CD2 4.41Å; Y156-R182 HydrophobicContact CD1-CG 4.14Å; Y156-R182 HydrophobicContact CE1-CB 3.86Å; Y156-R182 HydrophobicContact CE1-CG 3.86Å; Y156-R182 VanDerWaalsContact CE1-CZ 3.43Å; Y156-F183 HydrophobicContact CD2-CE1 4.46Å; Y156-F183 WeakPolarHBondContact CE2-O 3.32Å; Y156-F183 PolarHBondContact OH-O 3.04Å; Y156-V185 HydrophobicContact CD2-CG1 4.32Å; Y156-V185 HydrophobicContact CD2-CG2 4.16Å; Y156-V185 HydrophobicContact CE2-CB 4.26Å; Y156-V185 HydrophobicContact CE2-CG1 3.8Å; Y156-V185 HydrophobicContact CE2-CG2 3.4Å; Y156-V185 VanDerWaalsContact CE2-CG2 3.4Å; Y156-R199 PolarHBondContact OH-O 3.17Å; Y156-S200 WeakPolarHBondContact OH-CA 3.49Å; Y156-F371 AromaticContact CD1-CD1 3.9Å; Y156-F371 HydrophobicContact CD1-CD1 3.9Å; Y156-F371 HydrophobicContact CD1-CE1 4.3Å; Y156-F371 AromaticContact CE1-CD1 3.92Å; Y156-F371 HydrophobicContact CE1-CD1 3.92Å; Y156-F371 HydrophobicContact CE1-CE1 4.23Å
157	P	97.4	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.			trans	-68.3	164.3	174.1	27.8	-32.2	0	0	0	112.1	L127 N147 V159 L160 Q370 F371	L127-P157 HydrophobicContact CD2-CB 3.84Å; L127-P157 HydrophobicContact CD2-CG 3.89Å; N147-P157 PolarHBondContact ND2-O 3.24Å; P157-V159 VanDerWaalsContact C-N 3.29Å; P157-V159 PolarHBondContact O-N 2.86Å; P157-L160 HydrophobicContact CG-CD2 3.81Å; P157-Q370 HydrophobicContact CB-CB 4.12Å; P157-Q370 VanDerWaalsContact CD-O 3.28Å; P157-Q370 WeakPolarHBondContact CD-O 3.38Å; P157-F371 HydrophobicContact CG-CD1 4.41Å; P157-F371 HydrophobicContact CG-CE1 4.23Å; P157-F371 HydrophobicContact CG-CZ 4.32Å
158	P	97	Very high	96.9	Very high	37 Å²	37	45.8 Å²	45.8	24%	0.24	24%	0.236	C	C	.	.	S	Bend	trans	-73.9	-19.2	175.1	29.7	-34.4	0	0	0	113.4	N147 F150	N147-P158 WeakPolarHBondContact O-CA 3.37Å; F150-P158 HydrophobicContact CZ-CB 4.36Å; F150-P158 HydrophobicContact CZ-CG 4.2Å
159	V	96.7	Very high	96.9	Very high	22 Å²	22	45.4 Å²	45.4	13%	0.133	24%	0.241	C	C	.	.			trans	-102	110.1	178.6	178.5	0	0	0	0	108.6	L127 K128 Y131 L143 P157 Y161	L127-V159 HydrophobicContact CD2-CB 3.91Å; L127-V159 HydrophobicContact CD2-CG1 4.35Å; L127-V159 HydrophobicContact CG-CB 4.26Å; L127-V159 HydrophobicContact CG-CG1 4.24Å; K128-V159 HydrophobicContact CG-CG1 4.07Å; K128-V159 HydrophobicContact CG-CG2 4.17Å; Y131-V159 HydrophobicContact CD2-CG1 4.08Å; Y131-V159 HydrophobicContact CE2-CG1 4.2Å; L143-V159 HydrophobicContact CD1-CB 4.46Å; L143-V159 HydrophobicContact CD1-CG1 3.69Å; P157-V159 VanDerWaalsContact C-N 3.29Å; P157-V159 PolarHBondContact O-N 2.86Å; V159-Y161 HydrophobicContact CG1-CE2 4.14Å
160	L	97.9	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.1	-179.4	-63.7	174.1	0	0	0	110.3	T144 N147 Y156 P157 F183 V185 F371	T144-L160 HydrophobicContact CG2-CB 3.86Å; T144-L160 WeakPolarHBondContact CG2-O 3.47Å; T144-L160 PolarHBondContact N-O 2.78Å; N147-L160 HydrophobicContact CB-CD1 3.51Å; N147-L160 HydrophobicContact CB-CG 4.45Å; Y156-L160 HydrophobicContact CD2-CD1 3.92Å; Y156-L160 HydrophobicContact CD2-CD2 4Å; Y156-L160 HydrophobicContact CG-CD2 4.41Å; P157-L160 HydrophobicContact CG-CD2 3.81Å; L160-F183 HydrophobicContact CD1-CE1 4.32Å; L160-F183 HydrophobicContact CD1-CZ 3.81Å; L160-V185 HydrophobicContact CB-CG1 4.42Å; L160-V185 HydrophobicContact CD1-CG1 4.28Å; L160-V185 HydrophobicContact CD2-CB 4.29Å; L160-V185 HydrophobicContact CD2-CG1 4.18Å; L160-V185 HydrophobicContact CD2-CG2 4.15Å; L160-F371 HydrophobicContact CD2-CE1 4.24Å
161	Y	97.9	Very high	97	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.9	172.7	-78.5	-103.3	0	0	0	110.8	Y131 L136 P137 S142 L143 V159 L186	Y131-Y161 VanDerWaalsContact CB-CE2 3.49Å; Y131-Y161 AromaticContact CD1-CD2 3.75Å; Y131-Y161 HydrophobicContact CD1-CD2 3.75Å; Y131-Y161 HydrophobicContact CD1-CE2 4.14Å; Y131-Y161 HydrophobicContact CD1-CG 4.27Å; Y131-Y161 AromaticContact CD2-CD2 3.48Å; Y131-Y161 HydrophobicContact CD2-CD2 3.48Å; Y131-Y161 VanDerWaalsContact CD2-CD2 3.48Å; Y131-Y161 AromaticContact CD2-CE2 3.42Å; Y131-Y161 HydrophobicContact CD2-CE2 3.42Å; Y131-Y161 VanDerWaalsContact CD2-CE2 3.42Å; Y131-Y161 HydrophobicContact CE1-CD2 4.02Å; Y131-Y161 HydrophobicContact CE1-CG 4.49Å; Y131-Y161 AromaticContact CE2-CD2 3.74Å; Y131-Y161 HydrophobicContact CE2-CD2 3.74Å; Y131-Y161 HydrophobicContact CE2-CE2 4.12Å; Y131-Y161 AromaticContact CG-CD2 3.49Å; Y131-Y161 HydrophobicContact CG-CD2 3.49Å; Y131-Y161 VanDerWaalsContact CG-CD2 3.49Å; Y131-Y161 AromaticContact CG-CE2 3.43Å; Y131-Y161 HydrophobicContact CG-CE2 3.43Å; Y131-Y161 VanDerWaalsContact CG-CE2 3.43Å; Y131-Y161 HydrophobicContact CG-CG 4.38Å; L136-Y161 HydrophobicContact CB-CD1 3.99Å; L136-Y161 HydrophobicContact CB-CE1 3.62Å; L136-Y161 HydrophobicContact CD1-CD1 4.36Å; L136-Y161 HydrophobicContact CD2-CD1 4.4Å; P137-Y161 HydrophobicContact CB-CE1 3.97Å; S142-Y161 WeakPolarHBondContact O-CA 3.5Å; L143-Y161 HydrophobicContact CB-CE1 4.12Å; L143-Y161 HydrophobicContact CB-CE2 4.41Å; L143-Y161 HydrophobicContact CD1-CD2 4.28Å; L143-Y161 HydrophobicContact CD1-CE2 3.89Å; V159-Y161 HydrophobicContact CG1-CE2 4.14Å; Y161-L186 WeakPolarHBondContact O-CB 3.42Å; Y161-L186 PolarHBondContact O-N 3.41Å; Y161-L186 VanDerWaalsContact O-N 3.1Å
162	V	98.3	Very high	97.3	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.7	-177.3	-60.9	0	0	0	0	109.5	W141 S142 T144 S164 L171 F183 V185	W141-V162 VanDerWaalsContact CE3-C 3.46Å; S142-V162 PolarHBondContact N-O 2.95Å; S142-V162 PolarHBondContact O-N 3.04Å; T144-V162 HydrophobicContact CG2-CG1 3.82Å; T144-V162 HydrophobicContact CG2-CG2 3.91Å; V162-S164 PolarHBondContact O-N 3.11Å; V162-L171 HydrophobicContact CB-CD2 4.3Å; V162-L171 HydrophobicContact CG1-CD1 4.41Å; V162-L171 HydrophobicContact CG1-CD2 3.99Å; V162-L171 HydrophobicContact CG2-CD1 4.14Å; V162-L171 HydrophobicContact CG2-CD2 4.49Å; V162-F183 HydrophobicContact CG1-CE2 4.09Å; V162-V185 HydrophobicContact CG1-CG1 4.3Å
163	P	98.2	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	132.4	176.5	-26.8	36.3	0	0	0	112.1	F140 W141 M165 V166 A220 I221 S224	F140-P163 CarbonylContact O-C 3.4Å; F140-P163 VanDerWaalsContact O-CA 3.3Å; F140-P163 WeakPolarHBondContact O-CA 3.25Å; W141-P163 HydrophobicContact CE3-CG 4.42Å; W141-P163 HydrophobicContact CH2-CG 4.09Å; W141-P163 HydrophobicContact CZ3-CG 3.92Å; P163-M165 PolarHBondContact O-N 3.5Å; P163-M165 VanDerWaalsContact O-N 3.1Å; P163-V166 HydrophobicContact CB-CG2 3.9Å; P163-V166 HydrophobicContact CG-CG2 4.29Å; P163-V166 WeakPolarHBondContact O-CB 3.31Å; P163-V166 PolarHBondContact O-N 3.45Å; P163-A220 HydrophobicContact CB-CB 3.8Å; P163-A220 HydrophobicContact CG-CB 3.97Å; P163-I221 HydrophobicContact CG-CB 4.45Å; P163-I221 HydrophobicContact CG-CG1 3.72Å; P163-S224 WeakPolarHBondContact CB-OG 3.47Å
164	S	97.1	Very high	97.4	Very high	46 Å²	46	38.7 Å²	38.7	32%	0.322	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.3	-174.2	-62.8	0	0	0	0	114.1	Y139 F140 W141 S142 V162 V166	Y139-S164 WeakPolarHBondContact O-CB 3.48Å; Y139-S164 PolarHBondContact O-OG 2.76Å; F140-S164 VanDerWaalsContact C-OG 3.22Å; F140-S164 PolarHBondContact O-N 3.14Å; F140-S164 PolarHBondContact O-OG 3.13Å; W141-S164 VanDerWaalsContact C-OG 3.26Å; W141-S164 WeakPolarHBondContact CA-OG 3.44Å; W141-S164 PolarHBondContact N-OG 3.2Å; W141-S164 VanDerWaalsContact N-OG 3.16Å; S142-S164 PolarHBondContact N-OG 3.38Å; V162-S164 PolarHBondContact O-N 3.11Å; S164-V166 VanDerWaalsContact C-N 3.31Å; S164-V166 PolarHBondContact O-N 2.95Å
165	M	94.7	Very high	97.5	Very high	146 Å²	146	35.5 Å²	35.5	72%	0.719	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.5	179.8	-56	-167.5	-49.9	0	0	113.9	P163	P163-M165 PolarHBondContact O-N 3.5Å; P163-M165 VanDerWaalsContact O-N 3.1Å
166	V	96.7	Very high	97.4	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	22%	0.222	C	C	.	.			trans	-83.6	124.2	-173.3	173.5	0	0	0	0	110.7	P163 S164 I170 L171 L217 A220	P163-V166 HydrophobicContact CB-CG2 3.9Å; P163-V166 HydrophobicContact CG-CG2 4.29Å; P163-V166 WeakPolarHBondContact O-CB 3.31Å; P163-V166 PolarHBondContact O-N 3.45Å; S164-V166 VanDerWaalsContact C-N 3.31Å; S164-V166 PolarHBondContact O-N 2.95Å; V166-I170 HydrophobicContact CG1-CB 3.75Å; V166-I170 HydrophobicContact CG1-CD1 4.34Å; V166-I170 HydrophobicContact CG1-CG2 3.63Å; V166-L171 HydrophobicContact CG1-CD2 3.6Å; V166-L171 HydrophobicContact CG1-CG 3.88Å; V166-L217 HydrophobicContact CG1-CD1 4.18Å; V166-L217 HydrophobicContact CG2-CD1 4.03Å; V166-A220 HydrophobicContact CG2-CB 3.38Å
167	S	96.7	Very high	97.4	Very high	57 Å²	57	44.9 Å²	44.9	40%	0.399	23%	0.225	S	C	.	.			trans	-73.8	156.4	174.4	75.8	0	0	0	0	112.2	N169 I170 L171	S167-N169 PolarHBondContact O-N 3.09Å; S167-I170 WeakPolarHBondContact O-CB 3.16Å; S167-I170 PolarHBondContact O-N 2.78Å; S167-I170 VanDerWaalsContact O-N 3.13Å; S167-L171 PolarHBondContact O-N 3.17Å
168	K	96.6	Very high	97.4	Very high	123 Å²	123	45 Å²	45	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-55.9	-37.5	175.5	-63.6	-175.8	-179.8	176.1	0	112.6	V146 I170 L171 Y172	V146-K168 HydrophobicContact CG1-CB 3.99Å; V146-K168 HydrophobicContact CG1-CD 4.01Å; V146-K168 HydrophobicContact CG1-CG 3.69Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.22Å; K168-L171 WeakPolarHBondContact O-CB 3.45Å; K168-L171 PolarHBondContact O-N 3.22Å; K168-L171 VanDerWaalsContact O-N 3.1Å; K168-Y172 HydrophobicContact CB-CD2 4.4Å; K168-Y172 HydrophobicContact CB-CE2 4.16Å; K168-Y172 WeakPolarHBondContact O-CD2 3.45Å; K168-Y172 PolarHBondContact O-N 2.74Å
169	N	97.2	Very high	97.5	Very high	126 Å²	126	43.5 Å²	43.5	67%	0.674	22%	0.216	S	C	*	.	H	α-helix	trans	-60.9	-38.7	179.9	-70.7	-10.5	0	0	0	112.2	S167 L171 Y172 G173	S167-N169 PolarHBondContact O-N 3.09Å; N169-L171 VanDerWaalsContact C-N 3.34Å; N169-Y172 PolarHBondContact O-N 3.44Å; N169-G173 PolarHBondContact O-N 3.44Å
170	I	98.1	Very high	97.5	Very high	32 Å²	32	49.1 Å²	49.1	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-42.4	175.2	-67.9	163.6	0	0	0	110.3	V166 S167 K168 G173 S174 E213 V216 L217	V166-I170 HydrophobicContact CG1-CB 3.75Å; V166-I170 HydrophobicContact CG1-CD1 4.34Å; V166-I170 HydrophobicContact CG1-CG2 3.63Å; S167-I170 WeakPolarHBondContact O-CB 3.16Å; S167-I170 PolarHBondContact O-N 2.78Å; S167-I170 VanDerWaalsContact O-N 3.13Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.22Å; I170-G173 PolarHBondContact O-N 2.8Å; I170-S174 PolarHBondContact O-N 3.21Å; I170-E213 HydrophobicContact CG2-CB 4.34Å; I170-E213 VanDerWaalsContact CG2-O 3.32Å; I170-E213 WeakPolarHBondContact CG2-O 3.37Å; I170-V216 HydrophobicContact CD1-CG1 3.72Å; I170-V216 HydrophobicContact CG1-CG1 4.46Å; I170-V216 HydrophobicContact CG2-CG1 4.47Å; I170-L217 HydrophobicContact CG2-CB 4.07Å
171	L	98.1	Very high	97.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-44	177	-56.5	176.3	0	0	0	111.8	T144 V146 V162 V166 S167 K168 N169 G173 S175 F183 L217	T144-L171 HydrophobicContact CG2-CD1 4.24Å; V146-L171 HydrophobicContact CG1-CD1 4.03Å; V146-L171 HydrophobicContact CG2-CD1 3.91Å; V162-L171 HydrophobicContact CB-CD2 4.3Å; V162-L171 HydrophobicContact CG1-CD1 4.41Å; V162-L171 HydrophobicContact CG1-CD2 3.99Å; V162-L171 HydrophobicContact CG2-CD1 4.14Å; V162-L171 HydrophobicContact CG2-CD2 4.49Å; V166-L171 HydrophobicContact CG1-CD2 3.6Å; V166-L171 HydrophobicContact CG1-CG 3.88Å; S167-L171 PolarHBondContact O-N 3.17Å; K168-L171 WeakPolarHBondContact O-CB 3.45Å; K168-L171 PolarHBondContact O-N 3.22Å; K168-L171 VanDerWaalsContact O-N 3.1Å; N169-L171 VanDerWaalsContact C-N 3.34Å; L171-G173 PolarHBondContact O-N 2.84Å; L171-S175 WeakPolarHBondContact O-CB 3.35Å; L171-S175 PolarHBondContact O-N 3.14Å; L171-S175 PolarHBondContact O-OG 2.9Å; L171-F183 HydrophobicContact CD2-CD2 4.25Å; L171-F183 HydrophobicContact CD2-CE2 3.97Å; L171-L217 HydrophobicContact CD2-CD1 4.08Å; L171-L217 HydrophobicContact CD2-CD2 4.36Å
172	Y	97.8	Very high	97.5	Very high	84 Å²	84	49.3 Å²	49.3	33%	0.329	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-44.8	174.1	-75.2	-72.3	0	0	0	111.5	I152 K168 N169 S175 R176	I152-Y172 HydrophobicContact CD1-CD1 3.36Å; I152-Y172 HydrophobicContact CD1-CD2 4.41Å; I152-Y172 HydrophobicContact CD1-CE1 3.28Å; I152-Y172 HydrophobicContact CD1-CE2 4.31Å; I152-Y172 HydrophobicContact CD1-CG 3.94Å; I152-Y172 HydrophobicContact CG1-CD1 3.69Å; I152-Y172 HydrophobicContact CG1-CE1 3.39Å; K168-Y172 HydrophobicContact CB-CD2 4.4Å; K168-Y172 HydrophobicContact CB-CE2 4.16Å; K168-Y172 WeakPolarHBondContact O-CD2 3.45Å; K168-Y172 PolarHBondContact O-N 2.74Å; N169-Y172 PolarHBondContact O-N 3.44Å; Y172-S175 PolarHBondContact O-N 2.88Å; Y172-S175 PolarHBondContact O-OG 2.89Å; Y172-R176 WeakPolarHBondContact O-CG 3.21Å; Y172-R176 PolarHBondContact O-N 2.85Å
173	G	97.9	Very high	97.5	Very high	14 Å²	14	49.2 Å²	49.2	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-51	177.3	0	0	0	0	0	112.9	N169 I170 L171 S175 R176 F177	N169-G173 PolarHBondContact O-N 3.44Å; I170-G173 PolarHBondContact O-N 2.8Å; L171-G173 PolarHBondContact O-N 2.84Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 3.5Å; G173-R176 PolarHBondContact O-N 3.08Å; G173-F177 PolarHBondContact O-N 2.68Å
174	S	98.2	Very high	97.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-41.2	176.9	171.3	0	0	0	0	111.8	I170 R176 F177 R178 D214 L217	I170-S174 PolarHBondContact O-N 3.21Å; S174-R176 VanDerWaalsContact C-N 3.3Å; S174-R176 PolarHBondContact O-N 2.78Å; S174-F177 CarbonylContact O-C 3.58Å; S174-F177 WeakPolarHBondContact O-CA 3.48Å; S174-F177 PolarHBondContact O-N 3.25Å; S174-R178 WeakPolarHBondContact O-CB 3.48Å; S174-R178 VanDerWaalsContact O-CG 3.23Å; S174-R178 WeakPolarHBondContact O-CG 3.25Å; S174-R178 PolarHBondContact O-N 2.91Å; S174-D214 PolarHBondContact OG-OD1 3.47Å; S174-L217 WeakPolarHBondContact OG-CD2 3.4Å
175	S	98	Very high	97.6	Very high	10 Å²	10	47 Å²	47	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-38.2	177.4	74.9	0	0	0	0	113.2	I152 L171 Y172 G173 F177 R178 G181	I152-S175 WeakPolarHBondContact CG2-OG 3.17Å; L171-S175 WeakPolarHBondContact O-CB 3.35Å; L171-S175 PolarHBondContact O-N 3.14Å; L171-S175 PolarHBondContact O-OG 2.9Å; Y172-S175 PolarHBondContact O-N 2.88Å; Y172-S175 PolarHBondContact O-OG 2.89Å; G173-S175 VanDerWaalsContact C-N 3.32Å; G173-S175 PolarHBondContact O-N 3.5Å; S175-F177 PolarHBondContact O-N 2.78Å; S175-R178 PolarHBondContact O-N 2.74Å; S175-R178 VanDerWaalsContact O-O 3.06Å; S175-G181 WeakPolarHBondContact O-CA 3.24Å
176	R	97.8	Very high	97.8	Very high	199 Å²	199	40 Å²	40	75%	0.751	19%	0.188	S	C	*	.	H	α-helix	trans	-68.8	-26.6	175.9	-68.5	173.2	-178.1	-178.3	0.9	112.4	Y172 G173 S174	Y172-R176 WeakPolarHBondContact O-CG 3.21Å; Y172-R176 PolarHBondContact O-N 2.85Å; G173-R176 PolarHBondContact O-N 3.08Å; S174-R176 VanDerWaalsContact C-N 3.3Å; S174-R176 PolarHBondContact O-N 2.78Å
177	F	97.7	Very high	97.8	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-89.3	-8.2	178.1	-169.3	-110.1	0	0	0	113.3	G173 S174 S175 P203 L204 A205 D214 Y258	G173-F177 PolarHBondContact O-N 2.68Å; S174-F177 CarbonylContact O-C 3.58Å; S174-F177 WeakPolarHBondContact O-CA 3.48Å; S174-F177 PolarHBondContact O-N 3.25Å; S175-F177 PolarHBondContact O-N 2.78Å; F177-P203 HydrophobicContact CD1-CB 4Å; F177-P203 HydrophobicContact CE1-CB 3.46Å; F177-P203 VanDerWaalsContact CE1-CB 3.46Å; F177-P203 HydrophobicContact CZ-CB 4.14Å; F177-P203 CarbonylContact O-C 3.51Å; F177-P203 WeakPolarHBondContact O-CA 3.48Å; F177-L204 HydrophobicContact CD2-CB 4.38Å; F177-L204 VanDerWaalsContact CE2-O 3.29Å; F177-L204 WeakPolarHBondContact CE2-O 3.38Å; F177-L204 WeakPolarHBondContact O-CB 3.41Å; F177-L204 WeakPolarHBondContact O-CG 3.46Å; F177-L204 PolarHBondContact O-N 2.94Å; F177-A205 HydrophobicContact CZ-CB 3.98Å; F177-D214 HydrophobicContact CD1-CB 3.77Å; F177-D214 HydrophobicContact CE1-CB 4.44Å; F177-Y258 WeakPolarHBondContact CE1-OH 3.3Å
178	R	98.1	Very high	97.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-108	136.5	-179	-68.9	-85.4	-178.8	-179.4	-7.4	110	S174 S175 R180 G181 F183 S200 S201 D214 E253	S174-R178 WeakPolarHBondContact O-CB 3.48Å; S174-R178 VanDerWaalsContact O-CG 3.23Å; S174-R178 WeakPolarHBondContact O-CG 3.25Å; S174-R178 PolarHBondContact O-N 2.91Å; S175-R178 PolarHBondContact O-N 2.74Å; S175-R178 VanDerWaalsContact O-O 3.06Å; R178-R180 PolarHBondContact O-N 2.79Å; R178-G181 PolarHBondContact O-N 3.39Å; R178-F183 HydrophobicContact CG-CB 4.45Å; R178-S200 PolarHBondContact NH1-OG 2.96Å; R178-S201 WeakPolarHBondContact CD-O 3.32Å; R178-S201 PolarHBondContact NH1-O 2.85Å; R178-D214 IonicContact CZ-OD1 3.76Å; R178-D214 IonicContact CZ-OD2 2.86Å; R178-D214 IonicContact NE-OD1 2.78Å; R178-D214 PolarHBondContact NE-OD1 2.73Å; R178-D214 IonicContact NE-OD2 2.74Å; R178-D214 PolarHBondContact NE-OD2 2.84Å; R178-D214 IonicContact NH2-OD1 2.74Å; R178-D214 IonicContact NH2-OD2 3.54Å; R178-D214 PolarHBondContact NH2-OD2 3.07Å; R178-E253 IonicContact CZ-OE1 2.89Å; R178-E253 IonicContact NH1-OE1 2.84Å; R178-E253 PolarHBondContact NH1-OE1 2.96Å; R178-E253 IonicContact NH2-OE1 3.42Å; R178-E253 PolarHBondContact NH2-OE1 3.42Å
179	S	97.5	Very high	97.9	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.042	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-54.1	125.4	-177.8	-172.7	0	0	0	0	111.4	G181 R182 S201 Q202	S179-G181 PolarHBondContact O-N 3.08Å; S179-R182 PolarHBondContact O-N 3.02Å; S179-S201 PolarHBondContact N-OG 3.47Å; S179-S201 WeakPolarHBondContact O-CB 3.48Å; S179-S201 PolarHBondContact O-OG 3.29Å; S179-Q202 PolarHBondContact N-O 2.77Å
180	R	96.6	Very high	97.8	Very high	141 Å²	141	25.5 Å²	25.5	53%	0.532	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	60.3	25.7	-178.7	-51.4	178.2	177.5	-93.6	5.8	114.7	C153 R178 R182 D334 W336	C153-R180 PolarHBondContact SG-O 3Å; R178-R180 PolarHBondContact O-N 2.79Å; R180-R182 HydrophobicContact CB-CG 4.48Å; R180-R182 PolarHBondContact O-N 3.21Å; R180-D334 IonicContact NE-OD1 3.75Å; R180-D334 PolarHBondContact NE-OD1 3.39Å; R180-W336 VanDerWaalsContact CZ-CH2 3.48Å
181	G	97.7	Very high	97.4	Very high	11 Å²	11	25.3 Å²	25.3	11%	0.113	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	73.2	5.4	178.9	0	0	0	0	0	114.2	C153 S175 R178 S179 F183	C153-G181 WeakPolarHBondContact CB-O 3.44Å; S175-G181 WeakPolarHBondContact O-CA 3.24Å; R178-G181 PolarHBondContact O-N 3.39Å; S179-G181 PolarHBondContact O-N 3.08Å; G181-F183 VanDerWaalsContact C-N 3.25Å; G181-F183 VanDerWaalsContact O-CD1 3.26Å; G181-F183 WeakPolarHBondContact O-CD1 3.29Å; G181-F183 PolarHBondContact O-N 2.84Å
182	R	98.5	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.124	C	C	.	.			trans	-81.3	73.7	-175.1	-65.8	173.3	71.5	80.9	0	110.2	C153 T155 Y156 S179 R180 S200 S201 D334 G335 F371	C153-R182 WeakPolarHBondContact SG-CG 3.25Å; T155-R182 VanDerWaalsContact CB-NH1 3.28Å; T155-R182 PolarHBondContact O-NH1 2.7Å; T155-R182 PolarHBondContact OG1-NH1 2.84Å; Y156-R182 HydrophobicContact CD1-CG 4.14Å; Y156-R182 HydrophobicContact CE1-CB 3.86Å; Y156-R182 HydrophobicContact CE1-CG 3.86Å; Y156-R182 VanDerWaalsContact CE1-CZ 3.43Å; S179-R182 PolarHBondContact O-N 3.02Å; R180-R182 HydrophobicContact CB-CG 4.48Å; R180-R182 PolarHBondContact O-N 3.21Å; R182-S200 WeakPolarHBondContact O-CB 3.42Å; R182-S201 PolarHBondContact O-N 2.62Å; R182-S201 PolarHBondContact O-OG 2.76Å; R182-S201 VanDerWaalsContact O-OG 3.14Å; R182-D334 WeakPolarHBondContact CD-O 3.34Å; R182-D334 PolarHBondContact NE-O 3.44Å; R182-G335 PolarHBondContact NH2-O 3.02Å; R182-F371 PolarHBondContact NH1-O 2.75Å; R182-F371 VanDerWaalsContact NH1-O 3.17Å; R182-F371 PolarHBondContact NH2-O 3.38Å
183	F	98.4	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.			trans	-70.7	160.2	-179.8	65.2	-86.7	0	0	0	112.3	V146 I152 Y156 L160 V162 L171 R178 G181 V185 L217	V146-F183 HydrophobicContact CG2-CZ 4.19Å; I152-F183 HydrophobicContact CB-CE1 4.49Å; I152-F183 HydrophobicContact CG2-CD1 3.88Å; I152-F183 HydrophobicContact CG2-CE1 3.66Å; Y156-F183 HydrophobicContact CD2-CE1 4.46Å; Y156-F183 WeakPolarHBondContact CE2-O 3.32Å; Y156-F183 PolarHBondContact OH-O 3.04Å; L160-F183 HydrophobicContact CD1-CE1 4.32Å; L160-F183 HydrophobicContact CD1-CZ 3.81Å; V162-F183 HydrophobicContact CG1-CE2 4.09Å; L171-F183 HydrophobicContact CD2-CD2 4.25Å; L171-F183 HydrophobicContact CD2-CE2 3.97Å; R178-F183 HydrophobicContact CG-CB 4.45Å; G181-F183 VanDerWaalsContact C-N 3.25Å; G181-F183 VanDerWaalsContact O-CD1 3.26Å; G181-F183 WeakPolarHBondContact O-CD1 3.29Å; G181-F183 PolarHBondContact O-N 2.84Å; F183-V185 HydrophobicContact CD2-CG1 3.65Å; F183-V185 HydrophobicContact CE2-CG1 3.26Å; F183-V185 HydrophobicContact CG-CG1 4.47Å; F183-V185 HydrophobicContact CZ-CG1 3.8Å; F183-V185 PolarHBondContact O-N 2.97Å; F183-L217 HydrophobicContact CD2-CD2 4.31Å
184	P	98.7	Very high	96.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	12%	0.12	C	C	.	.			trans	-55.6	120.1	175	-26.8	34.6	0	0	0	113.4	R199 L217 L218 I221 L329	P184-R199 WeakPolarHBondContact CA-O 3.12Å; P184-L217 HydrophobicContact CB-CD2 4.06Å; P184-L217 HydrophobicContact CB-CG 4.44Å; P184-L217 HydrophobicContact CG-CD2 4.08Å; P184-L218 HydrophobicContact CB-CD1 4.4Å; P184-L218 HydrophobicContact CG-CD1 3.65Å; P184-I221 HydrophobicContact CB-CD1 3.57Å; P184-L329 HydrophobicContact CB-CD1 3.93Å; P184-L329 HydrophobicContact CG-CD1 4.3Å; P184-L329 HydrophobicContact CG-CD2 4.2Å
185	V	98.7	Very high	96.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.5	177.6	-65.9	0	0	0	0	111	Y156 L160 V162 F183 C198 R199 F371	Y156-V185 HydrophobicContact CD2-CG1 4.32Å; Y156-V185 HydrophobicContact CD2-CG2 4.16Å; Y156-V185 HydrophobicContact CE2-CB 4.26Å; Y156-V185 HydrophobicContact CE2-CG1 3.8Å; Y156-V185 HydrophobicContact CE2-CG2 3.4Å; Y156-V185 VanDerWaalsContact CE2-CG2 3.4Å; L160-V185 HydrophobicContact CB-CG1 4.42Å; L160-V185 HydrophobicContact CD1-CG1 4.28Å; L160-V185 HydrophobicContact CD2-CB 4.29Å; L160-V185 HydrophobicContact CD2-CG1 4.18Å; L160-V185 HydrophobicContact CD2-CG2 4.15Å; V162-V185 HydrophobicContact CG1-CG1 4.3Å; F183-V185 HydrophobicContact CD2-CG1 3.65Å; F183-V185 HydrophobicContact CE2-CG1 3.26Å; F183-V185 HydrophobicContact CG-CG1 4.47Å; F183-V185 HydrophobicContact CZ-CG1 3.8Å; F183-V185 PolarHBondContact O-N 2.97Å; V185-C198 CarbonylContact O-C 3.55Å; V185-C198 WeakPolarHBondContact O-CA 3.15Å; V185-C198 WeakPolarHBondContact O-CB 3.43Å; V185-R199 HydrophobicContact CG2-CG 4.23Å; V185-R199 PolarHBondContact N-O 3Å; V185-R199 VanDerWaalsContact N-O 3.12Å; V185-R199 PolarHBondContact O-N 2.91Å; V185-F371 HydrophobicContact CG2-CE1 3.69Å; V185-F371 HydrophobicContact CG2-CZ 4.17Å
186	L	98.6	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.4	179.3	-171.5	74.3	0	0	0	111.4	Y131 L136 W141 Y161 Y188 L189 A196	Y131-L186 HydrophobicContact CE1-CD2 4.42Å; Y131-L186 PolarHBondContact OH-O 3.39Å; L136-L186 HydrophobicContact CD1-CD2 3.34Å; L136-L186 HydrophobicContact CD2-CD2 4.32Å; L136-L186 HydrophobicContact CG-CD2 4.47Å; W141-L186 HydrophobicContact CD2-CD1 4.3Å; W141-L186 HydrophobicContact CD2-CD2 4.04Å; W141-L186 HydrophobicContact CE3-CB 3.94Å; W141-L186 HydrophobicContact CE3-CD1 4.19Å; W141-L186 HydrophobicContact CE3-CD2 3.97Å; W141-L186 HydrophobicContact CE3-CG 4.27Å; W141-L186 HydrophobicContact CG-CD2 4.33Å; W141-L186 HydrophobicContact CH2-CB 4.49Å; W141-L186 HydrophobicContact CH2-CD1 3.94Å; W141-L186 HydrophobicContact CZ2-CD1 4.06Å; W141-L186 HydrophobicContact CZ3-CB 3.79Å; W141-L186 HydrophobicContact CZ3-CD1 4Å; W141-L186 HydrophobicContact CZ3-CG 4.33Å; Y161-L186 WeakPolarHBondContact O-CB 3.42Å; Y161-L186 PolarHBondContact O-N 3.41Å; Y161-L186 VanDerWaalsContact O-N 3.1Å; L186-Y188 WeakPolarHBondContact CD1-O 3.35Å; L186-L189 HydrophobicContact CD2-CB 4.48Å; L186-A196 HydrophobicContact CD1-CB 3.61Å
187	T	98	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-25.6	171.2	-165	0	0	0	0	112.7	L197 R199 C343 K366 D367	T187-L197 HydrophobicContact CG2-CB 4.2Å; T187-L197 HydrophobicContact CG2-CD2 3.85Å; T187-L197 HydrophobicContact CG2-CG 3.61Å; T187-L197 WeakPolarHBondContact CG2-O 3.24Å; T187-L197 PolarHBondContact N-O 2.89Å; T187-R199 HydrophobicContact CG2-CG 4.46Å; T187-C343 HydrophobicContact CG2-CB 4.29Å; T187-K366 PolarHBondContact O-NZ 3.2Å; T187-K366 PolarHBondContact OG1-NZ 3.33Å; T187-D367 PolarHBondContact OG1-OD1 3.19Å; T187-D367 VanDerWaalsContact OG1-OD1 3.07Å
188	Y	98	Very high	96.4	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	142.8	177.9	170.5	-96.7	0	0	0	110.4	F134 L186 H190 P191 L197 L322 Q347 L350 D351 Y354	F134-Y188 HydrophobicContact CD1-CD2 4.19Å; F134-Y188 HydrophobicContact CD1-CE2 4.34Å; F134-Y188 AromaticContact CE1-CD2 3.41Å; F134-Y188 HydrophobicContact CE1-CD2 3.41Å; F134-Y188 VanDerWaalsContact CE1-CD2 3.41Å; F134-Y188 AromaticContact CE1-CE2 3.73Å; F134-Y188 HydrophobicContact CE1-CE2 3.73Å; F134-Y188 HydrophobicContact CE2-CD2 4.49Å; F134-Y188 AromaticContact CZ-CD2 3.6Å; F134-Y188 HydrophobicContact CZ-CD2 3.6Å; F134-Y188 HydrophobicContact CZ-CE2 4.36Å; F134-Y188 HydrophobicContact CZ-CG 4.47Å; L186-Y188 WeakPolarHBondContact CD1-O 3.35Å; Y188-H190 HydrophobicContact CE1-CB 4.26Å; Y188-P191 WeakPolarHBondContact OH-CD 2.82Å; Y188-L197 HydrophobicContact CD1-CB 4.26Å; Y188-L197 PolarHBondContact N-O 3.21Å; Y188-L197 PolarHBondContact O-N 3.31Å; Y188-L322 HydrophobicContact CD1-CD1 4.41Å; Y188-Q347 HydrophobicContact CD1-CG 4.36Å; Y188-Q347 HydrophobicContact CD2-CG 3.84Å; Y188-Q347 HydrophobicContact CG-CG 3.75Å; Y188-L350 HydrophobicContact CE1-CD1 4.44Å; Y188-D351 HydrophobicContact CE2-CB 4.02Å; Y188-Y354 HydrophobicContact CD2-CE2 4.27Å; Y188-Y354 HydrophobicContact CE2-CE2 4.41Å
189	L	96.8	Very high	96.4	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.3	170.5	-174.6	70.9	0	0	0	108	F134 L136 L186 A196	F134-L189 HydrophobicContact CB-CB 4.15Å; L136-L189 HydrophobicContact CD2-CD2 4Å; L136-L189 HydrophobicContact CG-CD2 4.29Å; L186-L189 HydrophobicContact CD2-CB 4.48Å; L189-A196 HydrophobicContact CD1-CB 4.19Å
190	H	95	Very high	96.5	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.065	8%	0.076	C	C	.	.			trans	-63.1	150.1	178.8	-170.3	-99.8	0	0	0	111.1	Y188 N192 G193 S195 D323	Y188-H190 HydrophobicContact CE1-CB 4.26Å; H190-N192 PolarHBondContact ND1-N 2.78Å; H190-N192 PolarHBondContact ND1-ND2 3.41Å; H190-N192 PolarHBondContact O-N 3.48Å; H190-G193 WeakPolarHBondContact O-CA 3.2Å; H190-G193 PolarHBondContact O-N 3.25Å; H190-S195 WeakPolarHBondContact CB-O 3.48Å; H190-S195 PolarHBondContact N-O 3.43Å; H190-D323 IonicContact NE2-OD1 3.24Å
191	P	88.9	Confident	96.6	Very high	29 Å²	29	8.9 Å²	8.9	19%	0.188	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.3	177.1	-36.7	40	0	0	0	117.5	Y188 G193 R518 Y519 A521	Y188-P191 WeakPolarHBondContact OH-CD 2.82Å; P191-G193 PolarHBondContact O-N 3.38Å; P191-R518 WeakPolarHBondContact O-CD 3.27Å; P191-Y519 WeakPolarHBondContact CB-O 3.36Å; P191-Y519 WeakPolarHBondContact CG-O 3.43Å; P191-A521 HydrophobicContact CG-CB 4.27Å
192	N	89.7	Confident	96.6	Very high	51 Å²	51	8.4 Å²	8.4	27%	0.273	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.4	170.9	68.8	13.8	0	0	0	112.9	H190 K194 S195 R518	H190-N192 PolarHBondContact ND1-N 2.78Å; H190-N192 PolarHBondContact ND1-ND2 3.41Å; H190-N192 PolarHBondContact O-N 3.48Å; N192-K194 VanDerWaalsContact C-N 3.29Å; N192-K194 PolarHBondContact O-N 2.75Å; N192-K194 PolarHBondContact OD1-N 2.98Å; N192-S195 PolarHBondContact ND2-OG 3.07Å; N192-S195 PolarHBondContact OD1-N 3.28Å; N192-R518 VanDerWaalsContact C-NH1 3.33Å; N192-R518 PolarHBondContact O-NH1 3.01Å
193	G	89.7	Confident	96.5	Very high	11 Å²	11	8.4 Å²	8.4	11%	0.113	5%	0.046	C	C	.	.	S	Bend	trans	76.9	9.7	178.1	0	0	0	0	0	114.3	H190 P191	H190-G193 WeakPolarHBondContact O-CA 3.2Å; H190-G193 PolarHBondContact O-N 3.25Å; P191-G193 PolarHBondContact O-N 3.38Å
194	K	92.5	Very high	96.4	Very high	62 Å²	62	11.2 Å²	11.2	27%	0.27	6%	0.06	S	C	.	.			trans	-130.7	-50.9	-169.1	-59.4	176.4	-173.1	-179.3	0	112.9	N192 A196 P226 D227	N192-K194 VanDerWaalsContact C-N 3.29Å; N192-K194 PolarHBondContact O-N 2.75Å; N192-K194 PolarHBondContact OD1-N 2.98Å; K194-A196 PolarHBondContact O-N 3.37Å; K194-A196 VanDerWaalsContact O-N 3.14Å; K194-P226 HydrophobicContact CD-CG 4.22Å; K194-D227 HydrophobicContact CD-CB 4.44Å; K194-D227 WeakPolarHBondContact CD-OD2 3.4Å; K194-D227 WeakPolarHBondContact CE-OD2 3.28Å; K194-D227 IonicContact NZ-OD1 3.46Å; K194-D227 PolarHBondContact NZ-OD1 3.24Å; K194-D227 IonicContact NZ-OD2 2.63Å; K194-D227 PolarHBondContact NZ-OD2 3.07Å
195	S	96.7	Very high	96.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.			trans	-68.1	112.7	-178.4	-55	0	0	0	0	110.4	H190 N192 L322 G325 N326	H190-S195 WeakPolarHBondContact CB-O 3.48Å; H190-S195 PolarHBondContact N-O 3.43Å; N192-S195 PolarHBondContact ND2-OG 3.07Å; N192-S195 PolarHBondContact OD1-N 3.28Å; S195-L322 VanDerWaalsContact CB-O 3.31Å; S195-L322 WeakPolarHBondContact CB-O 3.42Å; S195-L322 PolarHBondContact OG-O 3.22Å; S195-G325 WeakPolarHBondContact OG-CA 3.16Å; S195-N326 WeakPolarHBondContact CB-O 3.28Å
196	A	98.2	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	-175.2	0	0	0	0	0	111.7	W141 L186 L189 K194 S327 V328	W141-A196 HydrophobicContact CH2-CB 3.89Å; W141-A196 HydrophobicContact CZ2-CB 3.27Å; L186-A196 HydrophobicContact CD1-CB 3.61Å; L189-A196 HydrophobicContact CD1-CB 4.19Å; K194-A196 PolarHBondContact O-N 3.37Å; K194-A196 VanDerWaalsContact O-N 3.14Å; A196-S327 PolarHBondContact N-OG 2.95Å; A196-S327 VanDerWaalsContact N-OG 3.11Å; A196-S327 CarbonylContact O-C 3.32Å; A196-S327 WeakPolarHBondContact O-CA 3.4Å; A196-V328 PolarHBondContact O-N 2.86Å
197	L	98.8	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114	164.7	-179	57.3	0	0	0	108.8	T187 Y188 V318 L322 V328 V330 C343 Q347	T187-L197 HydrophobicContact CG2-CB 4.2Å; T187-L197 HydrophobicContact CG2-CD2 3.85Å; T187-L197 HydrophobicContact CG2-CG 3.61Å; T187-L197 WeakPolarHBondContact CG2-O 3.24Å; T187-L197 PolarHBondContact N-O 2.89Å; Y188-L197 HydrophobicContact CD1-CB 4.26Å; Y188-L197 PolarHBondContact N-O 3.21Å; Y188-L197 PolarHBondContact O-N 3.31Å; L197-V318 HydrophobicContact CD1-CG1 3.5Å; L197-V318 HydrophobicContact CD2-CG1 4.29Å; L197-L322 HydrophobicContact CB-CD1 3.92Å; L197-L322 HydrophobicContact CB-CD2 4.11Å; L197-L322 HydrophobicContact CD1-CD1 4.43Å; L197-L322 HydrophobicContact CD2-CD1 4.27Å; L197-L322 HydrophobicContact CG-CD1 4.42Å; L197-V328 WeakPolarHBondContact CA-O 3.45Å; L197-V328 HydrophobicContact CD1-CB 4.19Å; L197-V328 HydrophobicContact CD1-CG1 4.49Å; L197-V330 HydrophobicContact CD1-CG2 3.67Å; L197-C343 HydrophobicContact CD2-CB 4.42Å; L197-Q347 HydrophobicContact CD2-CG 4.33Å
198	C	98.8	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	154.7	175.4	-65.6	0	0	0	0	111	V185 I221 V328 L329 V330	V185-C198 CarbonylContact O-C 3.55Å; V185-C198 WeakPolarHBondContact O-CA 3.15Å; V185-C198 WeakPolarHBondContact O-CB 3.43Å; C198-I221 HydrophobicContact CB-CD1 4.4Å; C198-V328 PolarHBondContact N-O 3.1Å; C198-L329 HydrophobicContact CB-CD1 3.73Å; C198-L329 WeakPolarHBondContact O-CA 3.01Å; C198-V330 PolarHBondContact O-N 3.03Å
199	R	98.8	Very high	94.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.1	175.1	64.2	-171.5	-67.1	170.7	-3.2	111.8	Y156 P184 V185 T187 V330 T339 D367 F371	Y156-R199 PolarHBondContact OH-O 3.17Å; P184-R199 WeakPolarHBondContact CA-O 3.12Å; V185-R199 HydrophobicContact CG2-CG 4.23Å; V185-R199 PolarHBondContact N-O 3Å; V185-R199 VanDerWaalsContact N-O 3.12Å; V185-R199 PolarHBondContact O-N 2.91Å; T187-R199 HydrophobicContact CG2-CG 4.46Å; R199-V330 VanDerWaalsContact CA-O 3.31Å; R199-V330 WeakPolarHBondContact CA-O 3.36Å; R199-T339 HydrophobicContact CB-CG2 3.85Å; R199-D367 PolarHBondContact NH1-O 2.63Å; R199-D367 IonicContact NH1-OD1 3.31Å; R199-D367 IonicContact NH1-OD2 3.71Å; R199-D367 PolarHBondContact NH2-O 3.41Å; R199-F371 HydrophobicContact CG-CD1 4.33Å; R199-F371 HydrophobicContact CG-CE1 4.07Å; R199-F371 HydrophobicContact CG-CZ 4.41Å; R199-F371 VanDerWaalsContact CZ-CB 3.46Å
200	S	98.8	Very high	94.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.177	C	C	.	.			trans	-156.8	-177.4	175.7	69.1	0	0	0	0	112.7	Y156 R178 R182 V330 H331 G335	Y156-S200 WeakPolarHBondContact OH-CA 3.49Å; R178-S200 PolarHBondContact NH1-OG 2.96Å; R182-S200 WeakPolarHBondContact O-CB 3.42Å; S200-V330 PolarHBondContact N-O 2.68Å; S200-V330 VanDerWaalsContact N-O 3.08Å; S200-H331 WeakPolarHBondContact O-CA 3.44Å; S200-H331 WeakPolarHBondContact O-CB 3.25Å; S200-H331 WeakPolarHBondContact OG-CB 3.43Å; S200-G335 VanDerWaalsContact O-CA 3.25Å; S200-G335 WeakPolarHBondContact O-CA 2.9Å
201	S	98.5	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-96.2	172.8	161.1	64.7	0	0	0	0	111.6	R178 S179 R182	R178-S201 WeakPolarHBondContact CD-O 3.32Å; R178-S201 PolarHBondContact NH1-O 2.85Å; S179-S201 PolarHBondContact N-OG 3.47Å; S179-S201 WeakPolarHBondContact O-CB 3.48Å; S179-S201 PolarHBondContact O-OG 3.29Å; R182-S201 PolarHBondContact O-N 2.62Å; R182-S201 PolarHBondContact O-OG 2.76Å; R182-S201 VanDerWaalsContact O-OG 3.14Å
202	Q	98.1	Very high	94.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-59.8	148.6	174.2	67.5	-165.4	-40.5	0	0	113	S179 N245 K250 G251 C332 S333	S179-Q202 PolarHBondContact N-O 2.77Å; Q202-N245 PolarHBondContact OE1-ND2 3.05Å; Q202-K250 HydrophobicContact CG-CB 4.01Å; Q202-K250 HydrophobicContact CG-CD 4.31Å; Q202-G251 WeakPolarHBondContact CB-O 3.13Å; Q202-C332 WeakPolarHBondContact CB-O 2.93Å; Q202-C332 PolarHBondContact N-O 2.9Å; Q202-S333 VanDerWaalsContact CG-O 3.25Å; Q202-S333 WeakPolarHBondContact CG-O 3.46Å; Q202-S333 PolarHBondContact N-O 3.38Å; Q202-S333 PolarHBondContact NE2-O 3.07Å
203	P	97.5	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-69.2	151.9	168.5	30	-34.5	0	0	0	112	F177 A205 K250 G251 E253	F177-P203 HydrophobicContact CD1-CB 4Å; F177-P203 HydrophobicContact CE1-CB 3.46Å; F177-P203 VanDerWaalsContact CE1-CB 3.46Å; F177-P203 HydrophobicContact CZ-CB 4.14Å; F177-P203 CarbonylContact O-C 3.51Å; F177-P203 WeakPolarHBondContact O-CA 3.48Å; P203-A205 HydrophobicContact CB-CB 4.35Å; P203-A205 HydrophobicContact CG-CB 4.41Å; P203-A205 PolarHBondContact O-N 2.79Å; P203-K250 CarbonylContact O-C 3.49Å; P203-K250 WeakPolarHBondContact O-CA 3.28Å; P203-G251 PolarHBondContact O-N 2.83Å; P203-E253 HydrophobicContact CG-CG 4.49Å
204	L	96.6	Very high	95.5	Very high	59 Å²	59	36.1 Å²	36.1	31%	0.309	20%	0.196	S	C	.	.			trans	-86.9	47.5	172	-58.1	-178	0	0	0	110.6	F177 S209 G249 K250	F177-L204 HydrophobicContact CD2-CB 4.38Å; F177-L204 VanDerWaalsContact CE2-O 3.29Å; F177-L204 WeakPolarHBondContact CE2-O 3.38Å; F177-L204 WeakPolarHBondContact O-CB 3.41Å; F177-L204 WeakPolarHBondContact O-CG 3.46Å; F177-L204 PolarHBondContact O-N 2.94Å; L204-S209 WeakPolarHBondContact O-CB 3.25Å; L204-G249 CarbonylContact C-O 3.54Å; L204-G249 VanDerWaalsContact C-O 3.32Å; L204-G249 WeakPolarHBondContact CA-O 3.48Å; L204-K250 HydrophobicContact CD2-CB 4.43Å; L204-K250 HydrophobicContact CD2-CD 4.34Å; L204-K250 HydrophobicContact CD2-CG 3.85Å
205	A	92.6	Very high	95.8	Very high	10 Å²	10	35.7 Å²	35.7	8%	0.083	20%	0.195	C	C	.	.			trans	-74.4	-30.9	-171.6	0	0	0	0	0	113.2	F177 P203 F207 S208 S209 K250	F177-A205 HydrophobicContact CZ-CB 3.98Å; P203-A205 HydrophobicContact CB-CB 4.35Å; P203-A205 HydrophobicContact CG-CB 4.41Å; P203-A205 PolarHBondContact O-N 2.79Å; A205-F207 PolarHBondContact O-N 2.9Å; A205-S208 PolarHBondContact O-N 2.94Å; A205-S209 WeakPolarHBondContact CA-O 3.25Å; A205-S209 VanDerWaalsContact O-CA 3.3Å; A205-S209 WeakPolarHBondContact O-CA 3.48Å; A205-S209 WeakPolarHBondContact O-CB 3.43Å; A205-S209 PolarHBondContact O-N 3.32Å; A205-K250 PolarHBondContact N-O 3.02Å
206	G	91.5	Very high	95.8	Very high	8 Å²	8	38.5 Å²	38.5	8%	0.082	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-142.2	-169.1	0	0	0	0	0	111.5	R246 G249 K250	G206-R246 WeakPolarHBondContact CA-O 3.36Å; G206-R246 WeakPolarHBondContact O-CG 3.38Å; G206-R246 PolarHBondContact O-NE 2.81Å; G206-G249 PolarHBondContact N-O 2.89Å; G206-K250 WeakPolarHBondContact CA-O 3.19Å; G206-K250 PolarHBondContact N-O 3.17Å
207	F	89	Confident	95.8	Very high	129 Å²	129	38.5 Å²	38.5	57%	0.566	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-28.6	173.3	-68.5	-70.7	0	0	0	113.7	A205 R246 A247	A205-F207 PolarHBondContact O-N 2.9Å; F207-R246 PolarHBondContact O-NH2 3.26Å; F207-A247 HydrophobicContact CE2-CB 4.2Å; F207-A247 HydrophobicContact CZ-CB 3.92Å
208	S	88.6	Confident	95.7	Very high	104 Å²	104	38.7 Å²	38.7	73%	0.727	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.9	-11.7	-167.4	57.4	0	0	0	0	116	A205	A205-S208 PolarHBondContact O-N 2.94Å
209	S	90.8	Very high	95.6	Very high	62 Å²	62	43.4 Å²	43.4	43%	0.434	23%	0.234	S	C	.	.			trans	-71.6	137.2	-177.4	-168.1	0	0	0	0	110.9	L204 A205	L204-S209 WeakPolarHBondContact O-CB 3.25Å; A205-S209 WeakPolarHBondContact CA-O 3.25Å; A205-S209 VanDerWaalsContact O-CA 3.3Å; A205-S209 WeakPolarHBondContact O-CA 3.48Å; A205-S209 WeakPolarHBondContact O-CB 3.43Å; A205-S209 PolarHBondContact O-N 3.32Å
210	K	92.7	Very high	95.6	Very high	134 Å²	134	43.7 Å²	43.7	58%	0.583	24%	0.237	S	C	*	.			trans	-137.7	144.5	179.8	-58.3	177.9	-172.9	-175.9	0	108.1	V257	K210-V257 HydrophobicContact CD-CG1 4.18Å; K210-V257 HydrophobicContact CD-CG2 3.86Å; K210-V257 HydrophobicContact CG-CG1 4.5Å
211	S	95.8	Very high	95.5	Very high	8 Å²	8	43.7 Å²	43.7	6%	0.056	24%	0.237	C	C	.	.			trans	-117.5	123.9	169.7	167.5	0	0	0	0	109.1	E213 D214 Q215	S211-E213 VanDerWaalsContact C-N 3.26Å; S211-E213 PolarHBondContact OG-N 3.12Å; S211-E213 PolarHBondContact OG-OE2 3.22Å; S211-D214 PolarHBondContact OG-N 3.18Å; S211-Q215 VanDerWaalsContact O-CG 3.31Å; S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.92Å; S211-Q215 VanDerWaalsContact O-N 3.17Å; S211-Q215 PolarHBondContact O-NE2 3.02Å
212	T	96.4	Very high	95.5	Very high	98 Å²	98	45 Å²	45	60%	0.601	24%	0.242	S	C	*	.	H	α-helix	trans	-65.7	-37	173.7	-55.5	0	0	0	0	110	Q215 V216	T212-Q215 PolarHBondContact O-N 3.1Å; T212-V216 HydrophobicContact CG2-CG2 4.41Å; T212-V216 VanDerWaalsContact O-CG2 3.27Å; T212-V216 WeakPolarHBondContact O-CG2 3.2Å; T212-V216 PolarHBondContact O-N 2.81Å
213	E	97.9	Very high	95.4	Very high	82 Å²	82	48 Å²	48	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-43.8	178.8	-57.3	83.5	178.8	0	0	111.9	I170 S211 V216 L217	I170-E213 HydrophobicContact CG2-CB 4.34Å; I170-E213 VanDerWaalsContact CG2-O 3.32Å; I170-E213 WeakPolarHBondContact CG2-O 3.37Å; S211-E213 VanDerWaalsContact C-N 3.26Å; S211-E213 PolarHBondContact OG-N 3.12Å; S211-E213 PolarHBondContact OG-OE2 3.22Å; E213-V216 PolarHBondContact O-N 3.42Å; E213-L217 WeakPolarHBondContact O-CB 3.33Å; E213-L217 PolarHBondContact O-N 3.15Å
214	D	97.9	Very high	95.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41.2	175.3	-160.5	77.5	0	0	0	111.6	S174 F177 R178 S211 V216 L217 L218 Y258	S174-D214 PolarHBondContact OG-OD1 3.47Å; F177-D214 HydrophobicContact CD1-CB 3.77Å; F177-D214 HydrophobicContact CE1-CB 4.44Å; R178-D214 IonicContact CZ-OD1 3.76Å; R178-D214 IonicContact CZ-OD2 2.86Å; R178-D214 IonicContact NE-OD1 2.78Å; R178-D214 PolarHBondContact NE-OD1 2.73Å; R178-D214 IonicContact NE-OD2 2.74Å; R178-D214 PolarHBondContact NE-OD2 2.84Å; R178-D214 IonicContact NH2-OD1 2.74Å; R178-D214 IonicContact NH2-OD2 3.54Å; R178-D214 PolarHBondContact NH2-OD2 3.07Å; S211-D214 PolarHBondContact OG-N 3.18Å; D214-V216 PolarHBondContact O-N 3.42Å; D214-L217 PolarHBondContact O-N 3.41Å; D214-L218 VanDerWaalsContact O-CD1 3.27Å; D214-L218 WeakPolarHBondContact O-CD1 3.49Å; D214-L218 PolarHBondContact O-N 2.87Å; D214-Y258 PolarHBondContact OD2-OH 3.23Å
215	Q	97.2	Very high	95.3	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.2	-74.5	167.1	76.6	0	0	112	S211 T212 L217 L218 E219 V257 Y258	S211-Q215 VanDerWaalsContact O-CG 3.31Å; S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.92Å; S211-Q215 VanDerWaalsContact O-N 3.17Å; S211-Q215 PolarHBondContact O-NE2 3.02Å; T212-Q215 PolarHBondContact O-N 3.1Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.07Å; Q215-L218 PolarHBondContact O-N 2.76Å; Q215-E219 WeakPolarHBondContact O-CB 3.35Å; Q215-E219 PolarHBondContact O-N 3.42Å; Q215-V257 HydrophobicContact CG-CG1 3.87Å; Q215-Y258 HydrophobicContact CB-CE1 4.42Å; Q215-Y258 HydrophobicContact CG-CD1 4.05Å; Q215-Y258 HydrophobicContact CG-CE1 3.75Å
216	V	97.4	Very high	95.4	Very high	58 Å²	58	48.6 Å²	48.6	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-37.3	178.7	172.6	0	0	0	0	111.2	I170 T212 E213 D214 E219 A220	I170-V216 HydrophobicContact CD1-CG1 3.72Å; I170-V216 HydrophobicContact CG1-CG1 4.46Å; I170-V216 HydrophobicContact CG2-CG1 4.47Å; T212-V216 HydrophobicContact CG2-CG2 4.41Å; T212-V216 VanDerWaalsContact O-CG2 3.27Å; T212-V216 WeakPolarHBondContact O-CG2 3.2Å; T212-V216 PolarHBondContact O-N 2.81Å; E213-V216 PolarHBondContact O-N 3.42Å; D214-V216 PolarHBondContact O-N 3.42Å; V216-E219 PolarHBondContact O-N 3.18Å; V216-A220 WeakPolarHBondContact O-CB 3.41Å; V216-A220 PolarHBondContact O-N 3.44Å
217	L	98.1	Very high	95.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-46.5	175.6	176.8	58.9	0	0	0	111.8	V166 I170 L171 S174 F183 P184 E213 D214 Q215 E219 A220 I221	V166-L217 HydrophobicContact CG1-CD1 4.18Å; V166-L217 HydrophobicContact CG2-CD1 4.03Å; I170-L217 HydrophobicContact CG2-CB 4.07Å; L171-L217 HydrophobicContact CD2-CD1 4.08Å; L171-L217 HydrophobicContact CD2-CD2 4.36Å; S174-L217 WeakPolarHBondContact OG-CD2 3.4Å; F183-L217 HydrophobicContact CD2-CD2 4.31Å; P184-L217 HydrophobicContact CB-CD2 4.06Å; P184-L217 HydrophobicContact CB-CG 4.44Å; P184-L217 HydrophobicContact CG-CD2 4.08Å; E213-L217 WeakPolarHBondContact O-CB 3.33Å; E213-L217 PolarHBondContact O-N 3.15Å; D214-L217 PolarHBondContact O-N 3.41Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.07Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-A220 PolarHBondContact O-N 3.43Å; L217-I221 HydrophobicContact CD1-CD1 4.46Å; L217-I221 HydrophobicContact CG-CD1 4.37Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 2.79Å
218	L	97.7	Very high	95.6	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-39.6	177.9	-91.5	66.6	0	0	0	111.4	P184 D214 Q215 A220 I221 R222 L231 E253 Y258 L329	P184-L218 HydrophobicContact CB-CD1 4.4Å; P184-L218 HydrophobicContact CG-CD1 3.65Å; D214-L218 VanDerWaalsContact O-CD1 3.27Å; D214-L218 WeakPolarHBondContact O-CD1 3.49Å; D214-L218 PolarHBondContact O-N 2.87Å; Q215-L218 PolarHBondContact O-N 2.76Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 3.47Å; L218-I221 PolarHBondContact O-N 2.94Å; L218-R222 PolarHBondContact O-N 2.82Å; L218-L231 HydrophobicContact CB-CD2 4.1Å; L218-L231 HydrophobicContact CD2-CD2 4.46Å; L218-L231 HydrophobicContact CG-CD2 4.11Å; L218-E253 HydrophobicContact CD2-CG 4.08Å; L218-Y258 HydrophobicContact CB-CD1 4.27Å; L218-Y258 HydrophobicContact CD2-CD1 3.5Å; L218-Y258 VanDerWaalsContact CD2-CD1 3.5Å; L218-Y258 HydrophobicContact CD2-CE1 3.69Å; L218-Y258 HydrophobicContact CD2-CG 4.38Å; L218-Y258 HydrophobicContact CG-CD1 4.44Å; L218-L329 HydrophobicContact CD1-CD2 4.37Å; L218-L329 HydrophobicContact CD2-CD2 4.14Å; L218-L329 HydrophobicContact CG-CD2 4.24Å
219	E	96.6	Very high	95.8	Very high	98 Å²	98	48.6 Å²	48.6	46%	0.458	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-39.9	173.1	-178.2	170.1	-160.7	0	0	111.8	Q215 V216 L217 R222 N223	Q215-E219 WeakPolarHBondContact O-CB 3.35Å; Q215-E219 PolarHBondContact O-N 3.42Å; V216-E219 PolarHBondContact O-N 3.18Å; L217-E219 VanDerWaalsContact C-N 3.33Å; E219-R222 WeakPolarHBondContact O-CB 3.46Å; E219-R222 PolarHBondContact O-N 2.92Å; E219-R222 IonicContact OE1-NH2 3.93Å; E219-N223 WeakPolarHBondContact O-CB 3.25Å; E219-N223 PolarHBondContact O-N 2.86Å; E219-N223 PolarHBondContact O-ND2 3.1Å; E219-N223 PolarHBondContact O-OD1 2.88Å
220	A	97.5	Very high	96.1	Very high	7 Å²	7	48.7 Å²	48.7	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-37.6	175.8	0	0	0	0	0	112.6	P163 V166 V216 L217 L218 R222 N223 S224	P163-A220 HydrophobicContact CB-CB 3.8Å; P163-A220 HydrophobicContact CG-CB 3.97Å; V166-A220 HydrophobicContact CG2-CB 3.38Å; V216-A220 WeakPolarHBondContact O-CB 3.41Å; V216-A220 PolarHBondContact O-N 3.44Å; L217-A220 PolarHBondContact O-N 3.43Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 3.47Å; A220-R222 VanDerWaalsContact C-N 3.34Å; A220-N223 PolarHBondContact O-N 2.92Å; A220-S224 WeakPolarHBondContact O-CB 3.25Å; A220-S224 PolarHBondContact O-N 3.39Å; A220-S224 PolarHBondContact O-OG 2.92Å
221	I	97.8	Very high	96.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-45.2	173.2	-70	169.2	0	0	0	110.3	W141 P163 P184 C198 L217 L218 S224 L231	W141-I221 HydrophobicContact CH2-CB 4.43Å; W141-I221 HydrophobicContact CH2-CG1 4.06Å; W141-I221 HydrophobicContact CH2-CG2 4.18Å; P163-I221 HydrophobicContact CG-CB 4.45Å; P163-I221 HydrophobicContact CG-CG1 3.72Å; P184-I221 HydrophobicContact CB-CD1 3.57Å; C198-I221 HydrophobicContact CB-CD1 4.4Å; L217-I221 HydrophobicContact CD1-CD1 4.46Å; L217-I221 HydrophobicContact CG-CD1 4.37Å; L217-I221 WeakPolarHBondContact O-CG1 3.31Å; L217-I221 PolarHBondContact O-N 2.79Å; L218-I221 PolarHBondContact O-N 2.94Å; I221-S224 WeakPolarHBondContact O-CB 3.19Å; I221-S224 PolarHBondContact O-N 3.24Å; I221-L231 HydrophobicContact CG2-CD1 4Å
222	R	96.8	Very high	96.5	Very high	27 Å²	27	43.6 Å²	43.6	10%	0.102	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-51.5	175.7	-173.5	-171.6	74.4	107.2	-0.1	111.2	L218 E219 A220 S224 N225 N229 L231 N260	L218-R222 PolarHBondContact O-N 2.82Å; E219-R222 WeakPolarHBondContact O-CB 3.46Å; E219-R222 PolarHBondContact O-N 2.92Å; E219-R222 IonicContact OE1-NH2 3.93Å; A220-R222 VanDerWaalsContact C-N 3.34Å; R222-S224 PolarHBondContact O-N 3.05Å; R222-N225 PolarHBondContact O-N 3.47Å; R222-N229 VanDerWaalsContact CD-O 3.29Å; R222-N229 WeakPolarHBondContact CD-O 3.43Å; R222-N229 PolarHBondContact NH1-O 3.26Å; R222-L231 HydrophobicContact CB-CB 4.1Å; R222-L231 HydrophobicContact CG-CB 4.14Å; R222-N260 PolarHBondContact NH1-ND2 3.31Å
223	N	96.2	Very high	96.5	Very high	64 Å²	64	39 Å²	39	34%	0.342	20%	0.204	S	C	.	.	H	α-helix	trans	-69.2	-13.8	-178.4	-65.1	-9.9	0	0	0	113.5	E219 A220 N225	E219-N223 WeakPolarHBondContact O-CB 3.25Å; E219-N223 PolarHBondContact O-N 2.86Å; E219-N223 PolarHBondContact O-ND2 3.1Å; E219-N223 PolarHBondContact O-OD1 2.88Å; A220-N223 PolarHBondContact O-N 2.92Å; N223-N225 PolarHBondContact O-N 3.35Å
224	S	96.5	Very high	96.6	Very high	5 Å²	5	35 Å²	35	4%	0.035	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.7	171.3	-61	0	0	0	0	112.9	P163 A220 I221 R222	P163-S224 WeakPolarHBondContact CB-OG 3.47Å; A220-S224 WeakPolarHBondContact O-CB 3.25Å; A220-S224 PolarHBondContact O-N 3.39Å; A220-S224 PolarHBondContact O-OG 2.92Å; I221-S224 WeakPolarHBondContact O-CB 3.19Å; I221-S224 PolarHBondContact O-N 3.24Å; R222-S224 PolarHBondContact O-N 3.05Å
225	N	96.4	Very high	96.6	Very high	3 Å²	3	35 Å²	35	2%	0.016	19%	0.186	C	C	.	.			trans	-115.9	96.8	168.6	-177.2	-8.2	0	0	0	109.2	R222 N223 D227 S228 G325 S327	R222-N225 PolarHBondContact O-N 3.47Å; N223-N225 PolarHBondContact O-N 3.35Å; N225-D227 PolarHBondContact O-N 3.31Å; N225-D227 PolarHBondContact OD1-N 3.2Å; N225-D227 VanDerWaalsContact OD1-N 3.13Å; N225-S228 PolarHBondContact O-N 2.83Å; N225-S228 VanDerWaalsContact O-O 3.1Å; N225-S228 PolarHBondContact OD1-N 3.08Å; N225-G325 PolarHBondContact ND2-O 3.1Å; N225-S327 WeakPolarHBondContact CB-OG 3.18Å
226	P	93.8	Very high	96.6	Very high	74 Å²	74	32.5 Å²	32.5	48%	0.481	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.7	-177.5	27.8	-35.3	0	0	0	113.8	F140 K194	F140-P226 HydrophobicContact CZ-CG 3.95Å; K194-P226 HydrophobicContact CD-CG 4.22Å
227	D	93	Very high	96.7	Very high	108 Å²	108	29.8 Å²	29.8	58%	0.578	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-16.9	-175.4	-62.2	0.7	0	0	0	112.5	K194 N225	K194-D227 HydrophobicContact CD-CB 4.44Å; K194-D227 WeakPolarHBondContact CD-OD2 3.4Å; K194-D227 WeakPolarHBondContact CE-OD2 3.28Å; K194-D227 IonicContact NZ-OD1 3.46Å; K194-D227 PolarHBondContact NZ-OD1 3.24Å; K194-D227 IonicContact NZ-OD2 2.63Å; K194-D227 PolarHBondContact NZ-OD2 3.07Å; N225-D227 PolarHBondContact O-N 3.31Å; N225-D227 PolarHBondContact OD1-N 3.2Å; N225-D227 VanDerWaalsContact OD1-N 3.13Å
228	S	93.4	Very high	96.6	Very high	15 Å²	15	30.1 Å²	30.1	11%	0.105	16%	0.16	C	C	.	.			trans	-130.5	130.7	178.9	-179.7	0	0	0	0	112.2	N225 I230 G325 N326	N225-S228 PolarHBondContact O-N 2.83Å; N225-S228 VanDerWaalsContact O-O 3.1Å; N225-S228 PolarHBondContact OD1-N 3.08Å; S228-I230 VanDerWaalsContact C-N 3.32Å; S228-I230 PolarHBondContact OG-N 3.35Å; S228-I230 PolarHBondContact OG-O 3.4Å; S228-G325 WeakPolarHBondContact CB-O 3.33Å; S228-N326 PolarHBondContact OG-OD1 2.84Å
229	N	92.2	Very high	96.5	Very high	119 Å²	119	32.2 Å²	32.2	64%	0.636	18%	0.178	S	C	*	.	S	Bend	trans	-85.3	-3.1	175.4	-74.8	-45.7	0	0	0	113.4	R222 N260	R222-N229 VanDerWaalsContact CD-O 3.29Å; R222-N229 WeakPolarHBondContact CD-O 3.43Å; R222-N229 PolarHBondContact NH1-O 3.26Å; N229-N260 WeakPolarHBondContact O-CB 3.33Å
230	I	96.3	Very high	96.4	Very high	63 Å²	63	33.3 Å²	33.3	32%	0.323	19%	0.185	S	C	.	.			trans	-110.4	133.1	-172.8	-60.9	173.2	0	0	0	110.4	S228 Y232 N260 V262	S228-I230 VanDerWaalsContact C-N 3.32Å; S228-I230 PolarHBondContact OG-N 3.35Å; S228-I230 PolarHBondContact OG-O 3.4Å; I230-Y232 HydrophobicContact CG2-CD2 4.11Å; I230-Y232 HydrophobicContact CG2-CE2 3.88Å; I230-N260 WeakPolarHBondContact CA-O 3.5Å; I230-V262 HydrophobicContact CG2-CB 4.37Å; I230-V262 HydrophobicContact CG2-CG2 3.78Å
231	L	97.8	Very high	96.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.5	166	177.5	62.7	0	0	0	109.3	L218 I221 R222 V233 N260 A261 V262	L218-L231 HydrophobicContact CB-CD2 4.1Å; L218-L231 HydrophobicContact CD2-CD2 4.46Å; L218-L231 HydrophobicContact CG-CD2 4.11Å; I221-L231 HydrophobicContact CG2-CD1 4Å; R222-L231 HydrophobicContact CB-CB 4.1Å; R222-L231 HydrophobicContact CG-CB 4.14Å; L231-V233 HydrophobicContact CG-CG2 4.43Å; L231-N260 PolarHBondContact N-O 3.35Å; L231-A261 CarbonylContact O-C 3.14Å; L231-A261 VanDerWaalsContact O-CA 3.24Å; L231-A261 WeakPolarHBondContact O-CA 3.38Å; L231-V262 PolarHBondContact O-N 3.31Å
232	Y	98.4	Very high	96.1	Very high	33 Å²	33	34.9 Å²	34.9	13%	0.129	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.7	170.9	-72.7	-90.2	0	0	0	109.9	I230 V262 F317 R321 N326 S327 V328 L329	I230-Y232 HydrophobicContact CG2-CD2 4.11Å; I230-Y232 HydrophobicContact CG2-CE2 3.88Å; Y232-V262 CarbonylContact C-O 3.43Å; Y232-V262 WeakPolarHBondContact CA-O 3.22Å; Y232-V262 HydrophobicContact CD1-CB 4.07Å; Y232-V262 HydrophobicContact CD1-CG1 4.12Å; Y232-V262 HydrophobicContact CE1-CB 4.21Å; Y232-V262 HydrophobicContact CE1-CG1 4.06Å; Y232-F317 HydrophobicContact CD1-CE1 4.28Å; Y232-F317 AromaticContact CD1-CZ 3.99Å; Y232-F317 HydrophobicContact CD1-CZ 3.99Å; Y232-F317 HydrophobicContact CE1-CZ 4.19Å; Y232-R321 HydrophobicContact CD1-CG 4.43Å; Y232-R321 HydrophobicContact CD2-CB 4.39Å; Y232-R321 HydrophobicContact CD2-CG 4.19Å; Y232-R321 HydrophobicContact CE2-CG 4.3Å; Y232-R321 HydrophobicContact CG-CG 4.25Å; Y232-R321 PolarHBondContact OH-NH1 3.47Å; Y232-N326 HydrophobicContact CD2-CB 3.82Å; Y232-N326 HydrophobicContact CE2-CB 3.77Å; Y232-S327 PolarHBondContact N-O 3.13Å; Y232-V328 CarbonylContact O-C 3.48Å; Y232-V328 VanDerWaalsContact O-CA 3.31Å; Y232-V328 WeakPolarHBondContact O-CA 3.44Å; Y232-L329 PolarHBondContact O-N 3.23Å
233	V	98.4	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	107.2	174	179.5	0	0	0	0	107.7	L231 A261 V262 I263 Q264 L329 H331	L231-V233 HydrophobicContact CG-CG2 4.43Å; V233-A261 HydrophobicContact CG2-CB 4.17Å; V233-V262 PolarHBondContact N-O 2.93Å; V233-I263 HydrophobicContact CB-CG1 4.08Å; V233-I263 HydrophobicContact CG1-CG1 4.43Å; V233-I263 CarbonylContact O-C 3.33Å; V233-I263 VanDerWaalsContact O-CA 3.27Å; V233-I263 WeakPolarHBondContact O-CA 3.44Å; V233-Q264 PolarHBondContact O-N 3.37Å; V233-L329 CarbonylContact C-O 3.4Å; V233-L329 WeakPolarHBondContact CA-O 3.45Å; V233-H331 VanDerWaalsContact CG1-NE2 3.29Å; V233-H331 WeakPolarHBondContact CG1-NE2 3.29Å
234	V	98.6	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.7	-179.1	174.4	0	0	0	0	108.6	F266 F317 V318 V328 L329 V330 H331	V234-F266 HydrophobicContact CG1-CD2 3.65Å; V234-F266 HydrophobicContact CG1-CE2 3.7Å; V234-F266 HydrophobicContact CG2-CE2 4.28Å; V234-F317 HydrophobicContact CG2-CD1 4.04Å; V234-F317 HydrophobicContact CG2-CE1 3.88Å; V234-V318 HydrophobicContact CB-CG2 4.38Å; V234-V318 HydrophobicContact CG1-CG2 4.26Å; V234-V318 HydrophobicContact CG2-CG2 4Å; V234-V328 HydrophobicContact CB-CG1 4.38Å; V234-V328 HydrophobicContact CG2-CG1 3.7Å; V234-L329 PolarHBondContact N-O 3.49Å; V234-V330 HydrophobicContact CB-CG2 4.22Å; V234-V330 HydrophobicContact CG1-CG1 4.47Å; V234-V330 WeakPolarHBondContact O-CA 3.25Å; V234-H331 PolarHBondContact O-N 2.84Å
235	D	98.4	Very high	95.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.7	169.7	-171.5	-22.4	0	0	0	108.7	R237 Q264 F265 H331	D235-R237 PolarHBondContact O-N 3.47Å; D235-R237 WeakPolarHBondContact OD1-CB 3.35Å; D235-R237 VanDerWaalsContact OD1-CG 3.3Å; D235-R237 WeakPolarHBondContact OD1-CG 3.25Å; D235-R237 IonicContact OD1-CZ 2.99Å; D235-R237 PolarHBondContact OD1-N 3.27Å; D235-R237 VanDerWaalsContact OD1-N 3.07Å; D235-R237 IonicContact OD1-NE 2.74Å; D235-R237 PolarHBondContact OD1-NE 3.24Å; D235-R237 IonicContact OD1-NH2 2.75Å; D235-R237 IonicContact OD2-CZ 2.93Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 3.58Å; D235-R237 PolarHBondContact OD2-NE 2.95Å; D235-R237 VanDerWaalsContact OD2-NE 3.14Å; D235-R237 IonicContact OD2-NH2 3.21Å; D235-R237 PolarHBondContact OD2-NH2 3.44Å; D235-Q264 PolarHBondContact N-O 2.96Å; D235-F265 HydrophobicContact CB-CD1 3.75Å; D235-F265 HydrophobicContact CB-CE1 3.66Å; D235-F265 WeakPolarHBondContact O-CA 3.31Å; D235-H331 WeakPolarHBondContact CA-O 2.8Å; D235-H331 IonicContact OD2-CE1 3.63Å
236	T	98.1	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.			trans	-68.3	-11.3	-173.4	70.5	0	0	0	0	113.4	I268 V330 H331 C332 R338 V342	T236-I268 HydrophobicContact CG2-CD1 4.43Å; T236-I268 WeakPolarHBondContact O-CA 3.34Å; T236-I268 WeakPolarHBondContact O-CB 3.47Å; T236-I268 PolarHBondContact O-N 3.23Å; T236-V330 HydrophobicContact CG2-CG1 3.93Å; T236-H331 PolarHBondContact N-O 2.91Å; T236-C332 WeakPolarHBondContact OG1-CB 3.3Å; T236-R338 HydrophobicContact CG2-CB 4.31Å; T236-R338 WeakPolarHBondContact OG1-CB 3.41Å; T236-V342 HydrophobicContact CG2-CB 4.32Å; T236-V342 HydrophobicContact CG2-CG2 3.78Å
237	R	98.1	Very high	95.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	23%	0.226	C	C	.	.	S	Bend	trans	-75	160.7	-174.2	-62.5	174.7	-70.8	-174.5	-9.5	111.6	D235 N241 N245 G251 F265 C332	D235-R237 PolarHBondContact O-N 3.47Å; D235-R237 WeakPolarHBondContact OD1-CB 3.35Å; D235-R237 VanDerWaalsContact OD1-CG 3.3Å; D235-R237 WeakPolarHBondContact OD1-CG 3.25Å; D235-R237 IonicContact OD1-CZ 2.99Å; D235-R237 PolarHBondContact OD1-N 3.27Å; D235-R237 VanDerWaalsContact OD1-N 3.07Å; D235-R237 IonicContact OD1-NE 2.74Å; D235-R237 PolarHBondContact OD1-NE 3.24Å; D235-R237 IonicContact OD1-NH2 2.75Å; D235-R237 IonicContact OD2-CZ 2.93Å; D235-R237 VanDerWaalsContact OD2-CZ 3.24Å; D235-R237 IonicContact OD2-NE 3.58Å; D235-R237 PolarHBondContact OD2-NE 2.95Å; D235-R237 VanDerWaalsContact OD2-NE 3.14Å; D235-R237 IonicContact OD2-NH2 3.21Å; D235-R237 PolarHBondContact OD2-NH2 3.44Å; R237-N241 HydrophobicContact CB-CB 4.49Å; R237-N245 PolarHBondContact NH1-ND2 2.95Å; R237-G251 PolarHBondContact NH2-O 3.14Å; R237-F265 WeakPolarHBondContact O-CD1 3.5Å; R237-C332 HydrophobicContact CG-CB 4.31Å
238	P	96.8	Very high	95.5	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.045	23%	0.227	C	C	.	.			trans	-58.1	138.3	156.6	-19.6	30	0	0	0	111.1	I240 N241 A242 D267 I268	P238-I240 HydrophobicContact CB-CG2 4.19Å; P238-I240 PolarHBondContact O-N 3.2Å; P238-I240 VanDerWaalsContact O-N 3.17Å; P238-N241 HydrophobicContact CB-CB 4.44Å; P238-N241 WeakPolarHBondContact O-CA 3.19Å; P238-N241 WeakPolarHBondContact O-CB 3.34Å; P238-N241 PolarHBondContact O-N 2.73Å; P238-A242 PolarHBondContact O-N 2.85Å; P238-D267 VanDerWaalsContact CA-OD1 3.25Å; P238-D267 WeakPolarHBondContact CA-OD1 3.5Å; P238-D267 HydrophobicContact CG-CB 4.41Å; P238-I268 WeakPolarHBondContact CD-O 3.44Å
239	A	95.3	Very high	95.3	Very high	48 Å²	48	43.1 Å²	43.1	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-55.5	-37.1	-177.2	0	0	0	0	0	112.3	N241 A242 F243 F265	A239-N241 VanDerWaalsContact C-N 3.35Å; A239-N241 PolarHBondContact O-N 2.83Å; A239-A242 WeakPolarHBondContact O-CB 3.39Å; A239-A242 PolarHBondContact O-N 2.83Å; A239-F243 WeakPolarHBondContact O-CB 3.28Å; A239-F243 PolarHBondContact O-N 2.99Å; A239-F265 HydrophobicContact CB-CD1 4.29Å; A239-F265 HydrophobicContact CB-CD2 4.12Å; A239-F265 HydrophobicContact CB-CE2 4.42Å; A239-F265 HydrophobicContact CB-CG 4.06Å
240	I	95.3	Very high	95.4	Very high	121 Å²	121	40.4 Å²	40.4	62%	0.621	22%	0.223	S	C	*	.	H	α-helix	trans	-64.5	-35.6	176.1	-168.8	166.7	0	0	0	112.9	P238 F243 T244	P238-I240 HydrophobicContact CB-CG2 4.19Å; P238-I240 PolarHBondContact O-N 3.2Å; P238-I240 VanDerWaalsContact O-N 3.17Å; I240-F243 PolarHBondContact O-N 3.05Å; I240-T244 WeakPolarHBondContact O-CB 3.43Å; I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 2.87Å
241	N	94.1	Very high	95.2	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.219	21%	0.208	C	C	.	.	H	α-helix	trans	-72.9	-37.3	176.4	-65.1	29.7	0	0	0	110.4	R237 P238 A239 F243 T244 N245	R237-N241 HydrophobicContact CB-CB 4.49Å; P238-N241 HydrophobicContact CB-CB 4.44Å; P238-N241 WeakPolarHBondContact O-CA 3.19Å; P238-N241 WeakPolarHBondContact O-CB 3.34Å; P238-N241 PolarHBondContact O-N 2.73Å; A239-N241 VanDerWaalsContact C-N 3.35Å; A239-N241 PolarHBondContact O-N 2.83Å; N241-F243 VanDerWaalsContact C-N 3.35Å; N241-T244 PolarHBondContact O-N 3.5Å; N241-N245 PolarHBondContact O-N 2.78Å
242	A	94.7	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-42.5	173.1	0	0	0	0	0	111.5	P238 A239 N245 R246 Y252 F265	P238-A242 PolarHBondContact O-N 2.85Å; A239-A242 WeakPolarHBondContact O-CB 3.39Å; A239-A242 PolarHBondContact O-N 2.83Å; A242-N245 PolarHBondContact O-N 2.88Å; A242-R246 PolarHBondContact O-N 3.27Å; A242-Y252 HydrophobicContact CB-CD1 3.91Å; A242-Y252 HydrophobicContact CB-CE1 4.49Å; A242-F265 HydrophobicContact CB-CD1 4.42Å; A242-F265 HydrophobicContact CB-CE1 3.61Å; A242-F265 HydrophobicContact CB-CZ 4.35Å
243	F	94.3	Very high	94.9	Very high	109 Å²	109	38.3 Å²	38.3	48%	0.478	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-43.2	173.5	-177.8	-96.5	0	0	0	112.7	A239 I240 N241 N245 R246 A247	A239-F243 WeakPolarHBondContact O-CB 3.28Å; A239-F243 PolarHBondContact O-N 2.99Å; I240-F243 PolarHBondContact O-N 3.05Å; N241-F243 VanDerWaalsContact C-N 3.35Å; F243-N245 VanDerWaalsContact C-N 3.32Å; F243-N245 PolarHBondContact O-N 2.99Å; F243-R246 WeakPolarHBondContact O-CA 3.46Å; F243-R246 WeakPolarHBondContact O-CB 3.47Å; F243-R246 PolarHBondContact O-N 3.25Å; F243-A247 PolarHBondContact O-N 3.04Å
244	T	94.2	Very high	94.6	Very high	67 Å²	67	40.4 Å²	40.4	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-61.1	-42.1	176.5	-58	0	0	0	0	111.3	I240 N241 R246 A247 Q248	I240-T244 WeakPolarHBondContact O-CB 3.43Å; I240-T244 PolarHBondContact O-N 2.93Å; I240-T244 PolarHBondContact O-OG1 2.87Å; N241-T244 PolarHBondContact O-N 3.5Å; T244-R246 VanDerWaalsContact C-N 3.3Å; T244-R246 PolarHBondContact O-N 3.38Å; T244-A247 WeakPolarHBondContact O-CB 3.49Å; T244-A247 PolarHBondContact O-N 3.39Å; T244-Q248 PolarHBondContact O-N 3.45Å
245	N	92	Very high	94.2	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.144	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-33.9	173.6	-79.1	4.9	0	0	0	112.4	Q202 R237 N241 A242 F243 A247 Q248 K250 S333	Q202-N245 PolarHBondContact OE1-ND2 3.05Å; R237-N245 PolarHBondContact NH1-ND2 2.95Å; N241-N245 PolarHBondContact O-N 2.78Å; A242-N245 PolarHBondContact O-N 2.88Å; F243-N245 VanDerWaalsContact C-N 3.32Å; F243-N245 PolarHBondContact O-N 2.99Å; N245-A247 VanDerWaalsContact C-N 3.3Å; N245-A247 PolarHBondContact O-N 2.95Å; N245-Q248 CarbonylContact O-C 3.59Å; N245-Q248 PolarHBondContact O-N 2.68Å; N245-Q248 VanDerWaalsContact O-N 3.08Å; N245-K250 HydrophobicContact CB-CB 4.3Å; N245-K250 CarbonylContact O-C 3.47Å; N245-K250 WeakPolarHBondContact O-CA 3.07Å; N245-K250 WeakPolarHBondContact O-CB 3.48Å; N245-K250 PolarHBondContact O-N 3.45Å; N245-S333 PolarHBondContact ND2-OG 3.4Å
246	R	93.5	Very high	93.7	Very high	41 Å²	41	50.6 Å²	50.6	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-42.1	173	-165.4	177.3	180	169.6	-3	111.3	G206 F207 A242 F243 T244 Q248 G249 Y252	G206-R246 WeakPolarHBondContact CA-O 3.36Å; G206-R246 WeakPolarHBondContact O-CG 3.38Å; G206-R246 PolarHBondContact O-NE 2.81Å; F207-R246 PolarHBondContact O-NH2 3.26Å; A242-R246 PolarHBondContact O-N 3.27Å; F243-R246 WeakPolarHBondContact O-CA 3.46Å; F243-R246 WeakPolarHBondContact O-CB 3.47Å; F243-R246 PolarHBondContact O-N 3.25Å; T244-R246 VanDerWaalsContact C-N 3.3Å; T244-R246 PolarHBondContact O-N 3.38Å; R246-Q248 PolarHBondContact O-N 3.14Å; R246-G249 PolarHBondContact O-N 2.92Å; R246-Y252 PolarHBondContact NH1-OH 3.07Å
247	A	93.1	Very high	93.4	Very high	58 Å²	58	51.5 Å²	51.5	48%	0.479	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-23.8	174.5	0	0	0	0	0	113.6	F207 F243 T244 N245 G249	F207-A247 HydrophobicContact CE2-CB 4.2Å; F207-A247 HydrophobicContact CZ-CB 3.92Å; F243-A247 PolarHBondContact O-N 3.04Å; T244-A247 WeakPolarHBondContact O-CB 3.49Å; T244-A247 PolarHBondContact O-N 3.39Å; N245-A247 VanDerWaalsContact C-N 3.3Å; N245-A247 PolarHBondContact O-N 2.95Å; A247-G249 VanDerWaalsContact C-N 3.34Å
248	Q	92.1	Very high	93.2	Very high	131 Å²	131	52.2 Å²	52.2	61%	0.612	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	15.3	175.9	-62.6	177.1	-4.3	0	0	113.6	T244 N245 R246	T244-Q248 PolarHBondContact O-N 3.45Å; N245-Q248 CarbonylContact O-C 3.59Å; N245-Q248 PolarHBondContact O-N 2.68Å; N245-Q248 VanDerWaalsContact O-N 3.08Å; R246-Q248 PolarHBondContact O-N 3.14Å
249	G	89.6	Confident	92.8	Very high	37 Å²	37	61.9 Å²	61.9	38%	0.381	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	9.2	179.9	0	0	0	0	0	114.9	L204 G206 R246 A247	L204-G249 CarbonylContact C-O 3.54Å; L204-G249 VanDerWaalsContact C-O 3.32Å; L204-G249 WeakPolarHBondContact CA-O 3.48Å; G206-G249 PolarHBondContact N-O 2.89Å; R246-G249 PolarHBondContact O-N 2.92Å; A247-G249 VanDerWaalsContact C-N 3.34Å
250	K	93.7	Very high	92.8	Very high	62 Å²	62	63.9 Å²	63.9	27%	0.27	33%	0.327	S	S	.	.			trans	-108.6	-131.4	176.1	-50.2	-172.3	-174.2	175.3	0	110	Q202 P203 L204 A205 G206 N245	Q202-K250 HydrophobicContact CG-CB 4.01Å; Q202-K250 HydrophobicContact CG-CD 4.31Å; P203-K250 CarbonylContact O-C 3.49Å; P203-K250 WeakPolarHBondContact O-CA 3.28Å; L204-K250 HydrophobicContact CD2-CB 4.43Å; L204-K250 HydrophobicContact CD2-CD 4.34Å; L204-K250 HydrophobicContact CD2-CG 3.85Å; A205-K250 PolarHBondContact N-O 3.02Å; G206-K250 WeakPolarHBondContact CA-O 3.19Å; G206-K250 PolarHBondContact N-O 3.17Å; N245-K250 HydrophobicContact CB-CB 4.3Å; N245-K250 CarbonylContact O-C 3.47Å; N245-K250 WeakPolarHBondContact O-CA 3.07Å; N245-K250 WeakPolarHBondContact O-CB 3.48Å; N245-K250 PolarHBondContact O-N 3.45Å
251	G	93	Very high	92.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.			trans	121.3	-139.3	168.1	0	0	0	0	0	113.1	Q202 P203 R237	Q202-G251 WeakPolarHBondContact CB-O 3.13Å; P203-G251 PolarHBondContact O-N 2.83Å; R237-G251 PolarHBondContact NH2-O 3.14Å
252	Y	95.2	Very high	92.9	Very high	54 Å²	54	59.6 Å²	59.6	21%	0.212	31%	0.31	C	S	.	.			trans	-144.8	165	-174.5	57.2	-85.5	0	0	0	108.4	A242 R246 I263 F265	A242-Y252 HydrophobicContact CB-CD1 3.91Å; A242-Y252 HydrophobicContact CB-CE1 4.49Å; R246-Y252 PolarHBondContact NH1-OH 3.07Å; Y252-I263 HydrophobicContact CD2-CD1 4.09Å; Y252-F265 HydrophobicContact CD1-CZ 4.4Å; Y252-F265 HydrophobicContact CD2-CZ 4.21Å; Y252-F265 HydrophobicContact CG-CZ 4.16Å
253	E	94.5	Very high	93	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.317	C	S	.	.			trans	-60	139.5	-178	-70.9	80.2	175.2	0	0	110.8	R178 P203 L218 Y258 I263 H331	R178-E253 IonicContact CZ-OE1 2.89Å; R178-E253 IonicContact NH1-OE1 2.84Å; R178-E253 PolarHBondContact NH1-OE1 2.96Å; R178-E253 IonicContact NH2-OE1 3.42Å; R178-E253 PolarHBondContact NH2-OE1 3.42Å; P203-E253 HydrophobicContact CG-CG 4.49Å; L218-E253 HydrophobicContact CD2-CG 4.08Å; E253-Y258 HydrophobicContact CB-CD2 3.49Å; E253-Y258 VanDerWaalsContact CB-CD2 3.49Å; E253-Y258 HydrophobicContact CB-CE2 3.73Å; E253-Y258 HydrophobicContact CB-CG 4.02Å; E253-Y258 HydrophobicContact CG-CD1 4.32Å; E253-Y258 HydrophobicContact CG-CD2 3.86Å; E253-Y258 HydrophobicContact CG-CE1 4.23Å; E253-Y258 HydrophobicContact CG-CE2 3.78Å; E253-Y258 HydrophobicContact CG-CG 4.13Å; E253-I263 HydrophobicContact CB-CD1 3.8Å; E253-I263 WeakPolarHBondContact O-CD1 3.5Å; E253-H331 IonicContact OE1-CD2 3.45Å; E253-H331 IonicContact OE1-NE2 3.99Å; E253-H331 IonicContact OE2-CE1 3.72Å; E253-H331 IonicContact OE2-NE2 3.38Å; E253-H331 PolarHBondContact OE2-NE2 2.93Å; E253-H331 VanDerWaalsContact OE2-NE2 3.08Å
254	D	91.3	Very high	93.1	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.241	31%	0.312	C	S	.	.			trans	-91.8	116.3	172.5	-175.6	-16.3	0	0	0	108.9	N256 V257 Y258	D254-N256 PolarHBondContact O-N 3.41Å; D254-N256 VanDerWaalsContact O-N 3.09Å; D254-N256 WeakPolarHBondContact OD1-CB 3.35Å; D254-N256 PolarHBondContact OD1-N 3.42Å; D254-N256 PolarHBondContact OD1-ND2 3.31Å; D254-V257 HydrophobicContact CB-CB 4.26Å; D254-V257 HydrophobicContact CB-CG2 3.99Å; D254-V257 WeakPolarHBondContact O-CA 3.27Å; D254-V257 WeakPolarHBondContact O-CB 3.27Å; D254-V257 PolarHBondContact O-N 3.26Å; D254-Y258 WeakPolarHBondContact O-CD2 3.22Å; D254-Y258 PolarHBondContact O-N 2.8Å
255	T	90.4	Very high	93.3	Very high	73 Å²	73	58.8 Å²	58.8	45%	0.448	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.3	-177.5	53	0	0	0	0	113.5	V257 I263	T255-V257 VanDerWaalsContact C-N 3.27Å; T255-I263 HydrophobicContact CG2-CD1 3.78Å; T255-I263 HydrophobicContact CG2-CG1 3.94Å
256	N	89.5	Confident	93.5	Very high	140 Å²	140	58.4 Å²	58.4	75%	0.749	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.7	171.1	-58.8	-63.3	0	0	0	112.8	D254	D254-N256 PolarHBondContact O-N 3.41Å; D254-N256 VanDerWaalsContact O-N 3.09Å; D254-N256 WeakPolarHBondContact OD1-CB 3.35Å; D254-N256 PolarHBondContact OD1-N 3.42Å; D254-N256 PolarHBondContact OD1-ND2 3.31Å
257	V	90.9	Very high	93.7	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.121	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-49.8	-178.6	179.7	0	0	0	0	110	K210 Q215 D254 T255 R259	K210-V257 HydrophobicContact CD-CG1 4.18Å; K210-V257 HydrophobicContact CD-CG2 3.86Å; K210-V257 HydrophobicContact CG-CG1 4.5Å; Q215-V257 HydrophobicContact CG-CG1 3.87Å; D254-V257 HydrophobicContact CB-CB 4.26Å; D254-V257 HydrophobicContact CB-CG2 3.99Å; D254-V257 WeakPolarHBondContact O-CA 3.27Å; D254-V257 WeakPolarHBondContact O-CB 3.27Å; D254-V257 PolarHBondContact O-N 3.26Å; T255-V257 VanDerWaalsContact C-N 3.27Å; V257-R259 PolarHBondContact O-N 3.33Å; V257-R259 VanDerWaalsContact O-N 3.11Å
258	Y	93.4	Very high	93.9	Very high	15 Å²	15	58.7 Å²	58.7	6%	0.059	30%	0.296	C	S	.	.	S	Bend	trans	-84.4	83.4	177.8	-62.2	-88.9	0	0	0	110	F177 D214 Q215 L218 E253 D254 N260 A261	F177-Y258 WeakPolarHBondContact CE1-OH 3.3Å; D214-Y258 PolarHBondContact OD2-OH 3.23Å; Q215-Y258 HydrophobicContact CB-CE1 4.42Å; Q215-Y258 HydrophobicContact CG-CD1 4.05Å; Q215-Y258 HydrophobicContact CG-CE1 3.75Å; L218-Y258 HydrophobicContact CB-CD1 4.27Å; L218-Y258 HydrophobicContact CD2-CD1 3.5Å; L218-Y258 VanDerWaalsContact CD2-CD1 3.5Å; L218-Y258 HydrophobicContact CD2-CE1 3.69Å; L218-Y258 HydrophobicContact CD2-CG 4.38Å; L218-Y258 HydrophobicContact CG-CD1 4.44Å; E253-Y258 HydrophobicContact CB-CD2 3.49Å; E253-Y258 VanDerWaalsContact CB-CD2 3.49Å; E253-Y258 HydrophobicContact CB-CE2 3.73Å; E253-Y258 HydrophobicContact CB-CG 4.02Å; E253-Y258 HydrophobicContact CG-CD1 4.32Å; E253-Y258 HydrophobicContact CG-CD2 3.86Å; E253-Y258 HydrophobicContact CG-CE1 4.23Å; E253-Y258 HydrophobicContact CG-CE2 3.78Å; E253-Y258 HydrophobicContact CG-CG 4.13Å; D254-Y258 WeakPolarHBondContact O-CD2 3.22Å; D254-Y258 PolarHBondContact O-N 2.8Å; Y258-N260 PolarHBondContact O-N 3.1Å; Y258-A261 VanDerWaalsContact O-CB 3.29Å; Y258-A261 WeakPolarHBondContact O-CB 3.34Å; Y258-A261 PolarHBondContact O-N 3.19Å
259	R	89.6	Confident	94.2	Very high	210 Å²	210	55 Å²	55	79%	0.792	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	137.8	-179.1	-63.9	-179.1	-176.9	170.8	0.6	111.2	V257 A261	V257-R259 PolarHBondContact O-N 3.33Å; V257-R259 VanDerWaalsContact O-N 3.11Å; R259-A261 PolarHBondContact O-N 2.71Å
260	N	94	Very high	94.6	Very high	90 Å²	90	55.5 Å²	55.5	48%	0.481	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	22.2	-178.7	-50.9	-48.2	0	0	0	114.5	R222 N229 I230 L231 Y258	R222-N260 PolarHBondContact NH1-ND2 3.31Å; N229-N260 WeakPolarHBondContact O-CB 3.33Å; I230-N260 WeakPolarHBondContact CA-O 3.5Å; L231-N260 PolarHBondContact N-O 3.35Å; Y258-N260 PolarHBondContact O-N 3.1Å
261	A	95.6	Very high	94.8	Very high	12 Å²	12	53.4 Å²	53.4	10%	0.099	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.5	166.6	0	0	0	0	0	110.4	L231 V233 Y258 R259	L231-A261 CarbonylContact O-C 3.14Å; L231-A261 VanDerWaalsContact O-CA 3.24Å; L231-A261 WeakPolarHBondContact O-CA 3.38Å; V233-A261 HydrophobicContact CG2-CB 4.17Å; Y258-A261 VanDerWaalsContact O-CB 3.29Å; Y258-A261 WeakPolarHBondContact O-CB 3.34Å; Y258-A261 PolarHBondContact O-N 3.19Å; R259-A261 PolarHBondContact O-N 2.71Å
262	V	96.7	Very high	95	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.37	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.8	174.5	176.5	0	0	0	0	108.6	I230 L231 Y232 V233	I230-V262 HydrophobicContact CG2-CB 4.37Å; I230-V262 HydrophobicContact CG2-CG2 3.78Å; L231-V262 PolarHBondContact O-N 3.31Å; Y232-V262 CarbonylContact C-O 3.43Å; Y232-V262 WeakPolarHBondContact CA-O 3.22Å; Y232-V262 HydrophobicContact CD1-CB 4.07Å; Y232-V262 HydrophobicContact CD1-CG1 4.12Å; Y232-V262 HydrophobicContact CE1-CB 4.21Å; Y232-V262 HydrophobicContact CE1-CG1 4.06Å; V233-V262 PolarHBondContact N-O 2.93Å
263	I	96.2	Very high	95.2	Very high	31 Å²	31	57.5 Å²	57.5	16%	0.159	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.7	-177.5	-58	174	0	0	0	110.2	V233 Y252 E253 T255 F265	V233-I263 HydrophobicContact CB-CG1 4.08Å; V233-I263 HydrophobicContact CG1-CG1 4.43Å; V233-I263 CarbonylContact O-C 3.33Å; V233-I263 VanDerWaalsContact O-CA 3.27Å; V233-I263 WeakPolarHBondContact O-CA 3.44Å; Y252-I263 HydrophobicContact CD2-CD1 4.09Å; E253-I263 HydrophobicContact CB-CD1 3.8Å; E253-I263 WeakPolarHBondContact O-CD1 3.5Å; T255-I263 HydrophobicContact CG2-CD1 3.78Å; T255-I263 HydrophobicContact CG2-CG1 3.94Å; I263-F265 HydrophobicContact CG2-CD2 4.46Å; I263-F265 HydrophobicContact CG2-CE2 3.83Å; I263-F265 HydrophobicContact CG2-CZ 3.89Å
264	Q	97.5	Very high	95.3	Very high	78 Å²	78	57.6 Å²	57.6	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.9	177.3	-173.5	61.6	50.8	0	0	110.9	V233 D235 F266 F317	V233-Q264 PolarHBondContact O-N 3.37Å; D235-Q264 PolarHBondContact N-O 2.96Å; Q264-F266 HydrophobicContact CB-CE2 4.09Å; Q264-F266 HydrophobicContact CG-CD2 4.15Å; Q264-F266 HydrophobicContact CG-CE2 3.36Å; Q264-F266 HydrophobicContact CG-CZ 3.6Å; Q264-F317 HydrophobicContact CB-CE1 4.3Å; Q264-F317 HydrophobicContact CB-CZ 4.33Å; Q264-F317 HydrophobicContact CG-CE1 4.24Å; Q264-F317 HydrophobicContact CG-CZ 4.12Å
265	F	97.9	Very high	95.6	Very high	50 Å²	50	58.4 Å²	58.4	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	151.2	175.3	-61.4	-83.5	0	0	0	111.4	D235 R237 A239 A242 Y252 I263	D235-F265 HydrophobicContact CB-CD1 3.75Å; D235-F265 HydrophobicContact CB-CE1 3.66Å; D235-F265 WeakPolarHBondContact O-CA 3.31Å; R237-F265 WeakPolarHBondContact O-CD1 3.5Å; A239-F265 HydrophobicContact CB-CD1 4.29Å; A239-F265 HydrophobicContact CB-CD2 4.12Å; A239-F265 HydrophobicContact CB-CE2 4.42Å; A239-F265 HydrophobicContact CB-CG 4.06Å; A242-F265 HydrophobicContact CB-CD1 4.42Å; A242-F265 HydrophobicContact CB-CE1 3.61Å; A242-F265 HydrophobicContact CB-CZ 4.35Å; Y252-F265 HydrophobicContact CD1-CZ 4.4Å; Y252-F265 HydrophobicContact CD2-CZ 4.21Å; Y252-F265 HydrophobicContact CG-CZ 4.16Å; I263-F265 HydrophobicContact CG2-CD2 4.46Å; I263-F265 HydrophobicContact CG2-CE2 3.83Å; I263-F265 HydrophobicContact CG2-CZ 3.89Å
266	F	97	Very high	96	Very high	19 Å²	19	57 Å²	57	8%	0.083	28%	0.282	C	S	.	.			trans	-134.6	13.2	-177.1	-75.7	-82.7	0	0	0	115	V234 Q264 I268 E313 A314 F317	V234-F266 HydrophobicContact CG1-CD2 3.65Å; V234-F266 HydrophobicContact CG1-CE2 3.7Å; V234-F266 HydrophobicContact CG2-CE2 4.28Å; Q264-F266 HydrophobicContact CB-CE2 4.09Å; Q264-F266 HydrophobicContact CG-CD2 4.15Å; Q264-F266 HydrophobicContact CG-CE2 3.36Å; Q264-F266 HydrophobicContact CG-CZ 3.6Å; F266-I268 HydrophobicContact CB-CG1 4.26Å; F266-I268 PolarHBondContact O-N 2.93Å; F266-E313 HydrophobicContact CD1-CG 4.23Å; F266-E313 HydrophobicContact CE1-CG 4.14Å; F266-A314 HydrophobicContact CB-CB 3.74Å; F266-A314 VanDerWaalsContact CD1-CA 3.49Å; F266-A314 HydrophobicContact CD1-CB 3.71Å; F266-A314 HydrophobicContact CD2-CB 3.85Å; F266-A314 HydrophobicContact CE1-CB 4.31Å; F266-A314 HydrophobicContact CE2-CB 4.41Å; F266-A314 HydrophobicContact CG-CB 3.47Å; F266-A314 VanDerWaalsContact CG-CB 3.47Å; F266-F317 HydrophobicContact CE1-CB 3.87Å; F266-F317 HydrophobicContact CE1-CG 4.21Å; F266-F317 HydrophobicContact CE2-CB 4.36Å; F266-F317 AromaticContact CE2-CD1 3.83Å; F266-F317 HydrophobicContact CE2-CD1 3.83Å; F266-F317 HydrophobicContact CE2-CE1 4.34Å; F266-F317 HydrophobicContact CE2-CG 4.14Å; F266-F317 HydrophobicContact CZ-CB 3.43Å; F266-F317 VanDerWaalsContact CZ-CB 3.43Å; F266-F317 AromaticContact CZ-CD1 3.53Å; F266-F317 HydrophobicContact CZ-CD1 3.53Å; F266-F317 AromaticContact CZ-CD2 3.91Å; F266-F317 HydrophobicContact CZ-CD2 3.91Å; F266-F317 HydrophobicContact CZ-CE1 4.22Å; F266-F317 AromaticContact CZ-CG 3.35Å; F266-F317 HydrophobicContact CZ-CG 3.35Å
267	D	96.3	Very high	96.4	Very high	100 Å²	100	50.4 Å²	50.4	54%	0.535	25%	0.247	S	C	.	.			trans	52.7	29.8	172.8	-59.1	-27.8	0	0	0	115.6	P238 E269	P238-D267 VanDerWaalsContact CA-OD1 3.25Å; P238-D267 WeakPolarHBondContact CA-OD1 3.5Å; P238-D267 HydrophobicContact CG-CB 4.41Å; D267-E269 PolarHBondContact O-N 3.38Å
268	I	98.3	Very high	96.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.247	C	C	.	.			trans	-78.8	109.7	176.5	-49.8	179.7	0	0	0	109.4	T236 P238 F266 A310 I311 A314 R338 V342	T236-I268 HydrophobicContact CG2-CD1 4.43Å; T236-I268 WeakPolarHBondContact O-CA 3.34Å; T236-I268 WeakPolarHBondContact O-CB 3.47Å; T236-I268 PolarHBondContact O-N 3.23Å; P238-I268 WeakPolarHBondContact CD-O 3.44Å; F266-I268 HydrophobicContact CB-CG1 4.26Å; F266-I268 PolarHBondContact O-N 2.93Å; I268-A310 HydrophobicContact CG1-CB 4.33Å; I268-I311 HydrophobicContact CD1-CB 4.37Å; I268-I311 HydrophobicContact CD1-CG1 4.01Å; I268-I311 HydrophobicContact CG1-CG1 4.4Å; I268-I311 HydrophobicContact CG2-CG1 3.81Å; I268-A314 HydrophobicContact CD1-CB 3.86Å; I268-R338 HydrophobicContact CB-CG 4.22Å; I268-R338 HydrophobicContact CG2-CB 4.29Å; I268-R338 HydrophobicContact CG2-CG 3.58Å; I268-R338 WeakPolarHBondContact O-CD 3.3Å; I268-R338 PolarHBondContact O-NH1 2.92Å; I268-V342 HydrophobicContact CD1-CG2 3.69Å
269	E	98.1	Very high	96.9	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	27%	0.27	S	S	.	.			trans	-63.3	159.4	-173.4	-72.3	-67.5	179.8	0	0	114.5	D267 V273 R338	D267-E269 PolarHBondContact O-N 3.38Å; E269-V273 HydrophobicContact CB-CB 3.87Å; E269-V273 HydrophobicContact CB-CG1 3.73Å; E269-V273 HydrophobicContact CB-CG2 4.48Å; E269-V273 HydrophobicContact CG-CB 4.38Å; E269-V273 HydrophobicContact CG-CG1 3.83Å; E269-R338 WeakPolarHBondContact O-CD 3.45Å
270	N	97.7	Very high	97.2	Very high	47 Å²	47	50.7 Å²	50.7	25%	0.251	26%	0.255	S	S	.	.			trans	-76.4	171.7	-178.4	71	40.2	0	0	0	113	H272 V273 V274	N270-H272 PolarHBondContact O-N 3.5Å; N270-H272 VanDerWaalsContact O-N 3.13Å; N270-H272 WeakPolarHBondContact OD1-CB 3.15Å; N270-H272 PolarHBondContact OD1-N 3.33Å; N270-V273 PolarHBondContact O-N 2.96Å; N270-V273 PolarHBondContact OD1-N 3.41Å; N270-V273 VanDerWaalsContact OD1-N 3.12Å; N270-V274 WeakPolarHBondContact O-CG2 3.23Å; N270-V274 PolarHBondContact O-N 3.48Å; N270-V274 VanDerWaalsContact O-N 3.1Å
271	I	98	Very high	97.4	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-30.3	-176.6	64.9	171.8	0	0	0	114	R275 S391 I393	I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 3.22Å; I271-S391 WeakPolarHBondContact CA-OG 3.45Å; I271-S391 WeakPolarHBondContact O-CB 3.3Å; I271-S391 PolarHBondContact O-OG 3.26Å; I271-I393 HydrophobicContact CG2-CD1 4.07Å; I271-I393 HydrophobicContact CG2-CG1 4.09Å
272	H	97.4	Very high	97.3	Very high	85 Å²	85	46.5 Å²	46.5	39%	0.394	23%	0.231	S	C	.	.	H	α-helix	trans	-77.4	-40.8	-177.5	-51.9	-53.4	0	0	0	111.7	N270 R275 S276 R388	N270-H272 PolarHBondContact O-N 3.5Å; N270-H272 VanDerWaalsContact O-N 3.13Å; N270-H272 WeakPolarHBondContact OD1-CB 3.15Å; N270-H272 PolarHBondContact OD1-N 3.33Å; H272-R275 PolarHBondContact O-N 2.88Å; H272-S276 PolarHBondContact O-N 3.34Å; H272-R388 PolarHBondContact CE1-O 3.45Å; H272-R388 VanDerWaalsContact CE1-O 3.25Å; H272-R388 PolarHBondContact ND1-O 3.02Å
273	V	98	Very high	97.2	Very high	55 Å²	55	51.7 Å²	51.7	33%	0.333	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-44.5	175.1	176	0	0	0	0	110	E269 N270 R275 S276 S277	E269-V273 HydrophobicContact CB-CB 3.87Å; E269-V273 HydrophobicContact CB-CG1 3.73Å; E269-V273 HydrophobicContact CB-CG2 4.48Å; E269-V273 HydrophobicContact CG-CB 4.38Å; E269-V273 HydrophobicContact CG-CG1 3.83Å; N270-V273 PolarHBondContact O-N 2.96Å; N270-V273 PolarHBondContact OD1-N 3.41Å; N270-V273 VanDerWaalsContact OD1-N 3.12Å; V273-R275 PolarHBondContact O-N 2.85Å; V273-S276 PolarHBondContact O-N 2.85Å; V273-S277 WeakPolarHBondContact O-CB 3.29Å; V273-S277 PolarHBondContact O-N 2.94Å
274	V	98.3	Very high	97	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-43.2	177	171.3	0	0	0	0	111.8	N270 S277 L278 W304 P392 I393 Q396	N270-V274 WeakPolarHBondContact O-CG2 3.23Å; N270-V274 PolarHBondContact O-N 3.48Å; N270-V274 VanDerWaalsContact O-N 3.1Å; V274-S277 WeakPolarHBondContact O-CB 3.14Å; V274-S277 PolarHBondContact O-N 3.16Å; V274-L278 PolarHBondContact O-N 2.86Å; V274-W304 HydrophobicContact CG1-CZ3 4.23Å; V274-P392 HydrophobicContact CG1-CG 3.74Å; V274-I393 HydrophobicContact CB-CD1 4.34Å; V274-I393 HydrophobicContact CG1-CD1 4.12Å; V274-I393 HydrophobicContact CG2-CD1 4.36Å; V274-Q396 VanDerWaalsContact CG1-CD 3.43Å; V274-Q396 HydrophobicContact CG1-CG 4.21Å
275	R	97.5	Very high	96.6	Very high	63 Å²	63	48 Å²	48	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-48.5	174.2	175.6	-179.2	57.7	-170.3	0.8	111.7	I271 H272 V273 S277 L278 E279 P387 R388 I390	I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 3.22Å; H272-R275 PolarHBondContact O-N 2.88Å; V273-R275 PolarHBondContact O-N 2.85Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.9Å; R275-L278 PolarHBondContact O-N 3.23Å; R275-E279 WeakPolarHBondContact O-CG 3.41Å; R275-E279 PolarHBondContact O-N 3.39Å; R275-P387 PolarHBondContact NH1-O 3.44Å; R275-R388 VanDerWaalsContact NH1-CA 3.32Å; R275-I390 WeakPolarHBondContact CD-O 3.49Å
276	S	98.1	Very high	96.1	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-35.1	177.6	-174.7	0	0	0	0	112.2	H272 V273 E279 K280	H272-S276 PolarHBondContact O-N 3.34Å; V273-S276 PolarHBondContact O-N 2.85Å; S276-E279 PolarHBondContact O-N 3.23Å; S276-K280 VanDerWaalsContact O-CG 3.31Å; S276-K280 WeakPolarHBondContact O-CG 3.49Å; S276-K280 PolarHBondContact O-N 2.94Å
277	S	98.5	Very high	95.6	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-48.1	174.1	-178.1	0	0	0	0	111.5	V273 V274 R275 K280 L281 S302 W304 H307	V273-S277 WeakPolarHBondContact O-CB 3.29Å; V273-S277 PolarHBondContact O-N 2.94Å; V274-S277 WeakPolarHBondContact O-CB 3.14Å; V274-S277 PolarHBondContact O-N 3.16Å; R275-S277 VanDerWaalsContact C-N 3.26Å; R275-S277 PolarHBondContact O-N 2.9Å; S277-K280 PolarHBondContact O-N 3.01Å; S277-L281 PolarHBondContact O-N 3.31Å; S277-S302 WeakPolarHBondContact CA-O 3.45Å; S277-S302 VanDerWaalsContact CB-O 3.3Å; S277-S302 WeakPolarHBondContact CB-O 3.37Å; S277-S302 PolarHBondContact OG-O 3.46Å; S277-W304 WeakPolarHBondContact OG-CA 3.38Å; S277-W304 PolarHBondContact OG-N 3.02Å; S277-H307 PolarHBondContact OG-CD2 2.74Å
278	L	97.6	Very high	94.8	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-44.1	175.9	-179.2	62.7	0	0	0	111.8	F72 V274 R275 K280 L281 L282 W304 P392 Y541	F72-L278 HydrophobicContact CE1-CD1 4.25Å; F72-L278 HydrophobicContact CE1-CD2 3.97Å; F72-L278 HydrophobicContact CZ-CD1 4.28Å; F72-L278 HydrophobicContact CZ-CD2 4.37Å; V274-L278 PolarHBondContact O-N 2.86Å; R275-L278 PolarHBondContact O-N 3.23Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.3Å; L278-L281 HydrophobicContact CD1-CD2 4.29Å; L278-L281 WeakPolarHBondContact O-CB 3.19Å; L278-L281 PolarHBondContact O-N 3.23Å; L278-L281 VanDerWaalsContact O-N 3.16Å; L278-L282 HydrophobicContact CD1-CD1 4.07Å; L278-L282 HydrophobicContact CD1-CD2 4.16Å; L278-L282 HydrophobicContact CD1-CG 3.84Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.91Å; L278-L282 HydrophobicContact CG-CG 4.09Å; L278-L282 WeakPolarHBondContact O-CB 2.91Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.33Å; L278-L282 PolarHBondContact O-N 3.06Å; L278-W304 HydrophobicContact CB-CE3 4.29Å; L278-W304 HydrophobicContact CB-CH2 4.43Å; L278-W304 HydrophobicContact CB-CZ3 3.76Å; L278-W304 HydrophobicContact CD1-CH2 4.29Å; L278-W304 HydrophobicContact CD1-CZ3 4.26Å; L278-P392 HydrophobicContact CB-CG 3.99Å; L278-P392 HydrophobicContact CD2-CB 3.66Å; L278-P392 HydrophobicContact CD2-CG 3.59Å; L278-P392 HydrophobicContact CG-CG 4.37Å; L278-Y541 HydrophobicContact CD1-CD1 4.47Å; L278-Y541 HydrophobicContact CD1-CE1 3.92Å
279	E	96	Very high	94.1	Very high	118 Å²	118	52.5 Å²	52.5	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-57.3	-44	177.1	-72.5	169.4	-177.1	0	0	112.1	R275 S276 K283	R275-E279 WeakPolarHBondContact O-CG 3.41Å; R275-E279 PolarHBondContact O-N 3.39Å; S276-E279 PolarHBondContact O-N 3.23Å; E279-K283 WeakPolarHBondContact O-CB 2.87Å; E279-K283 PolarHBondContact O-N 3.09Å
280	K	97.4	Very high	93.5	Very high	111 Å²	111	51.9 Å²	51.9	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-44.3	175.1	-70.9	169.3	-173.2	172.3	0	111.5	S276 S277 L278 K283 V284	S276-K280 VanDerWaalsContact O-CG 3.31Å; S276-K280 WeakPolarHBondContact O-CG 3.49Å; S276-K280 PolarHBondContact O-N 2.94Å; S277-K280 PolarHBondContact O-N 3.01Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.3Å; K280-K283 PolarHBondContact O-N 3.04Å; K280-V284 WeakPolarHBondContact O-CG2 3.45Å; K280-V284 PolarHBondContact O-N 3.31Å
281	L	96.3	Very high	92.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-52.9	176.8	173.4	62.8	0	0	0	110.9	S277 L278 K283 V284 C285 L299 W304 L536 Y541	S277-L281 PolarHBondContact O-N 3.31Å; L278-L281 HydrophobicContact CD1-CD2 4.29Å; L278-L281 WeakPolarHBondContact O-CB 3.19Å; L278-L281 PolarHBondContact O-N 3.23Å; L278-L281 VanDerWaalsContact O-N 3.16Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.46Å; L281-V284 WeakPolarHBondContact O-CB 3.22Å; L281-V284 PolarHBondContact O-N 3.48Å; L281-C285 PolarHBondContact O-N 3.4Å; L281-C285 PolarHBondContact O-SG 2.94Å; L281-L299 HydrophobicContact CD1-CD1 3.47Å; L281-L299 VanDerWaalsContact CD1-CD1 3.47Å; L281-W304 HydrophobicContact CD2-CB 4.12Å; L281-W304 HydrophobicContact CD2-CD2 3.93Å; L281-W304 HydrophobicContact CD2-CG 3.67Å; L281-L536 HydrophobicContact CD1-CD1 3.72Å; L281-L536 HydrophobicContact CD2-CD1 4.03Å; L281-L536 HydrophobicContact CG-CD1 4.41Å; L281-Y541 HydrophobicContact CD2-CD1 3.82Å; L281-Y541 HydrophobicContact CD2-CD2 4.32Å; L281-Y541 HydrophobicContact CD2-CE1 3.82Å; L281-Y541 HydrophobicContact CD2-CE2 4.31Å; L281-Y541 HydrophobicContact CD2-CG 4.09Å
282	L	95	Very high	92.2	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-34.7	-178.4	-65.7	-178.4	0	0	0	112	F72 L278 V284 C285 R286 Y541	F72-L282 HydrophobicContact CB-CD2 3.77Å; F72-L282 HydrophobicContact CD1-CD1 3.55Å; F72-L282 HydrophobicContact CD1-CD2 3.68Å; F72-L282 HydrophobicContact CD1-CG 4.24Å; F72-L282 HydrophobicContact CD2-CD2 4.24Å; F72-L282 HydrophobicContact CE1-CD1 4.04Å; F72-L282 HydrophobicContact CE1-CD2 4.36Å; F72-L282 HydrophobicContact CG-CD1 4.32Å; F72-L282 HydrophobicContact CG-CD2 3.61Å; L278-L282 HydrophobicContact CD1-CD1 4.07Å; L278-L282 HydrophobicContact CD1-CD2 4.16Å; L278-L282 HydrophobicContact CD1-CG 3.84Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.91Å; L278-L282 HydrophobicContact CG-CG 4.09Å; L278-L282 WeakPolarHBondContact O-CB 2.91Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.33Å; L278-L282 PolarHBondContact O-N 3.06Å; L282-V284 PolarHBondContact O-N 3.23Å; L282-C285 PolarHBondContact O-N 3.1Å; L282-R286 WeakPolarHBondContact O-CB 3.4Å; L282-R286 VanDerWaalsContact O-CD 3.28Å; L282-R286 WeakPolarHBondContact O-CD 3.45Å; L282-R286 WeakPolarHBondContact O-CG 3.36Å; L282-R286 PolarHBondContact O-N 3.39Å; L282-Y541 HydrophobicContact CD2-CD1 4.18Å
283	K	93.3	Very high	91.6	Very high	170 Å²	170	61 Å²	61	74%	0.739	31%	0.306	S	S	*	.	H	α-helix	trans	-59.7	-36.4	174.3	-175.3	176.8	179.8	177.5	0	112.3	E279 K280 L281	E279-K283 WeakPolarHBondContact O-CB 2.87Å; E279-K283 PolarHBondContact O-N 3.09Å; K280-K283 PolarHBondContact O-N 3.04Å; L281-K283 VanDerWaalsContact C-N 3.27Å; L281-K283 PolarHBondContact O-N 3.46Å
284	V	92.1	Very high	91.3	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-73.9	-52	176.5	179	0	0	0	0	109.8	K280 L281 L282 R286 N287 I290 F295	K280-V284 WeakPolarHBondContact O-CG2 3.45Å; K280-V284 PolarHBondContact O-N 3.31Å; L281-V284 WeakPolarHBondContact O-CB 3.22Å; L281-V284 PolarHBondContact O-N 3.48Å; L282-V284 PolarHBondContact O-N 3.23Å; V284-R286 PolarHBondContact O-N 3.4Å; V284-N287 PolarHBondContact O-N 2.99Å; V284-N287 VanDerWaalsContact O-N 3.14Å; V284-I290 HydrophobicContact CB-CD1 4.49Å; V284-I290 HydrophobicContact CG1-CD1 3.6Å; V284-I290 VanDerWaalsContact O-CD1 3.27Å; V284-I290 WeakPolarHBondContact O-CD1 3.33Å; V284-F295 HydrophobicContact CG1-CD2 3.77Å; V284-F295 HydrophobicContact CG1-CE2 4.07Å; V284-F295 HydrophobicContact CG1-CG 4.14Å
285	C	90.2	Very high	90.9	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-31.7	-178.6	-67.5	0	0	0	0	113.8	L281 L282 L542	L281-C285 PolarHBondContact O-N 3.4Å; L281-C285 PolarHBondContact O-SG 2.94Å; L282-C285 PolarHBondContact O-N 3.1Å; C285-L542 HydrophobicContact CB-CD2 3.62Å
286	R	87.2	Confident	90.4	Very high	61 Å²	61	65.5 Å²	65.5	23%	0.23	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.6	-178.4	-69.2	165.7	172	172.4	-5.6	114.1	Q14 F72 V74 L282 V284 P288	Q14-R286 PolarHBondContact NE2-O 2.97Å; F72-R286 PolarHBondContact O-NE 3.03Å; F72-R286 PolarHBondContact O-NH2 3.5Å; V74-R286 HydrophobicContact CG2-CG 4.11Å; V74-R286 VanDerWaalsContact CG2-NE 3.28Å; L282-R286 WeakPolarHBondContact O-CB 3.4Å; L282-R286 VanDerWaalsContact O-CD 3.28Å; L282-R286 WeakPolarHBondContact O-CD 3.45Å; L282-R286 WeakPolarHBondContact O-CG 3.36Å; L282-R286 PolarHBondContact O-N 3.39Å; V284-R286 PolarHBondContact O-N 3.4Å; R286-P288 VanDerWaalsContact O-CD 3.27Å; R286-P288 WeakPolarHBondContact O-CD 3.4Å
287	N	86.7	Confident	90.1	Very high	65 Å²	65	65.8 Å²	65.8	35%	0.348	33%	0.332	S	S	.	.			trans	-97.3	106.1	-178.7	-169.5	-15.4	0	0	0	110.5	V284 T289 I290	V284-N287 PolarHBondContact O-N 2.99Å; V284-N287 VanDerWaalsContact O-N 3.14Å; N287-T289 VanDerWaalsContact C-N 3.26Å; N287-T289 PolarHBondContact O-N 2.98Å; N287-T289 PolarHBondContact OD1-N 2.97Å; N287-T289 VanDerWaalsContact OD1-N 3.08Å; N287-T289 PolarHBondContact OD1-OG1 3.47Å; N287-I290 HydrophobicContact CB-CD1 4.3Å; N287-I290 HydrophobicContact CB-CG2 4Å; N287-I290 WeakPolarHBondContact ND2-CG2 3.36Å; N287-I290 WeakPolarHBondContact O-CG1 3.45Å
288	P	79.3	Confident	89.9	Confident	31 Å²	31	66.3 Å²	66.3	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.9	-176.9	31.8	-37	0	0	0	113.8	Q14 F15 R286	Q14-P288 HydrophobicContact CB-CG 4.13Å; Q14-P288 HydrophobicContact CG-CG 4.36Å; Q14-P288 WeakPolarHBondContact O-CB 3.42Å; Q14-P288 WeakPolarHBondContact O-CG 3.48Å; F15-P288 HydrophobicContact CD1-CB 3.72Å; F15-P288 HydrophobicContact CE1-CB 4.14Å; R286-P288 VanDerWaalsContact O-CD 3.27Å; R286-P288 WeakPolarHBondContact O-CD 3.4Å
289	T	83.4	Confident	89.6	Confident	111 Å²	111	66.3 Å²	66.3	68%	0.681	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.4	-173	72.6	0	0	0	0	113.9	N287	N287-T289 VanDerWaalsContact C-N 3.26Å; N287-T289 PolarHBondContact O-N 2.98Å; N287-T289 PolarHBondContact OD1-N 2.97Å; N287-T289 VanDerWaalsContact OD1-N 3.08Å; N287-T289 PolarHBondContact OD1-OG1 3.47Å
290	I	85.4	Confident	89.3	Confident	42 Å²	42	65.5 Å²	65.5	22%	0.215	34%	0.337	C	S	.	.			trans	-76.4	141.2	-179.5	62.5	-173.2	0	0	0	110.8	V284 N287 Q294 F295	V284-I290 HydrophobicContact CB-CD1 4.49Å; V284-I290 HydrophobicContact CG1-CD1 3.6Å; V284-I290 VanDerWaalsContact O-CD1 3.27Å; V284-I290 WeakPolarHBondContact O-CD1 3.33Å; N287-I290 HydrophobicContact CB-CD1 4.3Å; N287-I290 HydrophobicContact CB-CG2 4Å; N287-I290 WeakPolarHBondContact ND2-CG2 3.36Å; N287-I290 WeakPolarHBondContact O-CG1 3.45Å; I290-Q294 HydrophobicContact CB-CB 4.04Å; I290-Q294 HydrophobicContact CG2-CB 4.49Å; I290-F295 HydrophobicContact CD1-CB 3.98Å; I290-F295 HydrophobicContact CD1-CD2 3.78Å; I290-F295 HydrophobicContact CD1-CG 4.35Å; I290-F295 HydrophobicContact CG1-CB 4.24Å; I290-F295 HydrophobicContact CG1-CD2 4.38Å
291	N	85.7	Confident	89.3	Confident	78 Å²	78	67.6 Å²	67.6	42%	0.417	35%	0.346	S	S	.	.			trans	-78.2	171.5	172.5	69	31.9	0	0	0	111.2	E293 Q294 F295	N291-E293 VanDerWaalsContact C-N 3.3Å; N291-E293 PolarHBondContact O-N 2.9Å; N291-E293 PolarHBondContact OD1-N 3.32Å; N291-Q294 PolarHBondContact O-N 3.48Å; N291-Q294 WeakPolarHBondContact OD1-CB 3.42Å; N291-Q294 VanDerWaalsContact OD1-CG 3.28Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.45Å; N291-Q294 PolarHBondContact OD1-N 3.28Å; N291-F295 WeakPolarHBondContact O-CB 3.47Å; N291-F295 PolarHBondContact O-N 3.46Å
292	L	82.9	Confident	89.3	Confident	106 Å²	106	67.9 Å²	67.9	56%	0.555	35%	0.348	S	S	*	.	H	α-helix	trans	-60.3	-37.3	-176.9	-177.5	65.2	0	0	0	113.3	F295 T296 L699	L292-F295 PolarHBondContact O-N 3.33Å; L292-T296 WeakPolarHBondContact O-CB 3.47Å; L292-T296 PolarHBondContact O-N 3.13Å; L292-T296 PolarHBondContact O-OG1 2.85Å; L292-L699 HydrophobicContact CD1-CD2 4.27Å; L292-L699 HydrophobicContact CD2-CD2 4.08Å
293	E	85.2	Confident	89.4	Confident	158 Å²	158	67.9 Å²	67.9	74%	0.738	35%	0.352	S	S	*	.	H	α-helix	trans	-67.2	-45	179.6	-64.6	178.7	178.8	0	0	111.2	N291 T296 S297	N291-E293 VanDerWaalsContact C-N 3.3Å; N291-E293 PolarHBondContact O-N 2.9Å; N291-E293 PolarHBondContact OD1-N 3.32Å; E293-T296 PolarHBondContact O-N 3.34Å; E293-S297 VanDerWaalsContact O-CB 3.25Å; E293-S297 WeakPolarHBondContact O-CB 3.12Å; E293-S297 PolarHBondContact O-N 2.74Å
294	Q	91.3	Very high	89.6	Confident	105 Å²	105	59.8 Å²	59.8	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-41.1	175.1	-72.2	172.7	-18.2	0	0	111.5	I290 N291 G298	I290-Q294 HydrophobicContact CB-CB 4.04Å; I290-Q294 HydrophobicContact CG2-CB 4.49Å; N291-Q294 PolarHBondContact O-N 3.48Å; N291-Q294 WeakPolarHBondContact OD1-CB 3.42Å; N291-Q294 VanDerWaalsContact OD1-CG 3.28Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.45Å; N291-Q294 PolarHBondContact OD1-N 3.28Å; Q294-G298 PolarHBondContact O-N 2.89Å
295	F	89.8	Confident	89.7	Confident	45 Å²	45	60.2 Å²	60.2	20%	0.197	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-51	174.2	-175.7	-82.7	0	0	0	110.9	V284 I290 N291 L292 S297 G298 L299 L536 L542	V284-F295 HydrophobicContact CG1-CD2 3.77Å; V284-F295 HydrophobicContact CG1-CE2 4.07Å; V284-F295 HydrophobicContact CG1-CG 4.14Å; I290-F295 HydrophobicContact CD1-CB 3.98Å; I290-F295 HydrophobicContact CD1-CD2 3.78Å; I290-F295 HydrophobicContact CD1-CG 4.35Å; I290-F295 HydrophobicContact CG1-CB 4.24Å; I290-F295 HydrophobicContact CG1-CD2 4.38Å; N291-F295 WeakPolarHBondContact O-CB 3.47Å; N291-F295 PolarHBondContact O-N 3.46Å; L292-F295 PolarHBondContact O-N 3.33Å; F295-S297 PolarHBondContact O-N 3.41Å; F295-G298 PolarHBondContact O-N 2.91Å; F295-L299 HydrophobicContact CE1-CD2 4.24Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.95Å; F295-L536 HydrophobicContact CE1-CD2 4.35Å; F295-L536 HydrophobicContact CZ-CD2 3.76Å; F295-L542 HydrophobicContact CE2-CD1 4.44Å; F295-L542 HydrophobicContact CE2-CD2 4.49Å; F295-L542 HydrophobicContact CZ-CD1 4.11Å
296	T	86.9	Confident	90	Very high	62 Å²	62	67.2 Å²	67.2	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-44.4	-179.4	-56.4	0	0	0	0	111.2	L292 E293 G298 L299 N300	L292-T296 WeakPolarHBondContact O-CB 3.47Å; L292-T296 PolarHBondContact O-N 3.13Å; L292-T296 PolarHBondContact O-OG1 2.85Å; E293-T296 PolarHBondContact O-N 3.34Å; T296-G298 PolarHBondContact O-N 3.49Å; T296-L299 PolarHBondContact O-N 3.13Å; T296-N300 WeakPolarHBondContact O-CB 3.16Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.41Å; T296-N300 PolarHBondContact O-ND2 2.94Å
297	S	92	Very high	90.5	Very high	48 Å²	48	65.5 Å²	65.5	34%	0.336	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-44.4	175	-170.8	0	0	0	0	111.6	E293 F295 N300 K301	E293-S297 VanDerWaalsContact O-CB 3.25Å; E293-S297 WeakPolarHBondContact O-CB 3.12Å; E293-S297 PolarHBondContact O-N 2.74Å; F295-S297 PolarHBondContact O-N 3.41Å; S297-N300 PolarHBondContact O-N 3.42Å; S297-K301 WeakPolarHBondContact O-CB 3.19Å; S297-K301 VanDerWaalsContact O-CG 3.23Å; S297-K301 WeakPolarHBondContact O-CG 3.44Å; S297-K301 PolarHBondContact O-N 3.13Å; S297-K301 WeakPolarHBondContact OG-CE 3.43Å
298	G	93.4	Very high	91.1	Very high	14 Å²	14	62.4 Å²	62.4	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-44.7	177.7	0	0	0	0	0	112.8	Q294 F295 T296 K301 S302	Q294-G298 PolarHBondContact O-N 2.89Å; F295-G298 PolarHBondContact O-N 2.91Å; T296-G298 PolarHBondContact O-N 3.49Å; G298-K301 PolarHBondContact O-N 3.42Å; G298-S302 PolarHBondContact O-N 3.33Å
299	L	92	Very high	91.9	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-47.4	174.7	178	60.5	0	0	0	110.7	L281 F295 T296 K301 S302 L305 L536	L281-L299 HydrophobicContact CD1-CD1 3.47Å; L281-L299 VanDerWaalsContact CD1-CD1 3.47Å; F295-L299 HydrophobicContact CE1-CD2 4.24Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.95Å; T296-L299 PolarHBondContact O-N 3.13Å; L299-K301 PolarHBondContact O-N 2.94Å; L299-S302 WeakPolarHBondContact O-CB 3.32Å; L299-S302 PolarHBondContact O-N 3.13Å; L299-S302 PolarHBondContact O-OG 3.34Å; L299-L305 HydrophobicContact CD1-CG 4.45Å; L299-L305 HydrophobicContact CD2-CD1 4.12Å; L299-L305 HydrophobicContact CG-CD1 4.26Å; L299-L536 HydrophobicContact CD1-CD1 4.1Å; L299-L536 HydrophobicContact CD2-CB 4.33Å
300	N	90.7	Very high	92.6	Very high	101 Å²	101	58.6 Å²	58.6	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.7	-73.8	-23.1	0	0	0	112.3	T296 S297 S302 G303	T296-N300 WeakPolarHBondContact O-CB 3.16Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.41Å; T296-N300 PolarHBondContact O-ND2 2.94Å; S297-N300 PolarHBondContact O-N 3.42Å; N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 PolarHBondContact O-N 3.34Å; N300-G303 PolarHBondContact O-N 3.13Å
301	K	96.8	Very high	93.2	Very high	156 Å²	156	56.6 Å²	56.6	68%	0.678	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-22.3	176.9	-75	172.3	-178.3	172.9	0	113.5	S297 G298 L299 G303	S297-K301 WeakPolarHBondContact O-CB 3.19Å; S297-K301 VanDerWaalsContact O-CG 3.23Å; S297-K301 WeakPolarHBondContact O-CG 3.44Å; S297-K301 PolarHBondContact O-N 3.13Å; S297-K301 WeakPolarHBondContact OG-CE 3.43Å; G298-K301 PolarHBondContact O-N 3.42Å; L299-K301 PolarHBondContact O-N 2.94Å; K301-G303 PolarHBondContact O-N 3.31Å
302	S	97	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-29.5	173.3	79.3	0	0	0	0	111.7	S277 G298 L299 N300 W304	S277-S302 WeakPolarHBondContact CA-O 3.45Å; S277-S302 VanDerWaalsContact CB-O 3.3Å; S277-S302 WeakPolarHBondContact CB-O 3.37Å; S277-S302 PolarHBondContact OG-O 3.46Å; G298-S302 PolarHBondContact O-N 3.33Å; L299-S302 WeakPolarHBondContact O-CB 3.32Å; L299-S302 PolarHBondContact O-N 3.13Å; L299-S302 PolarHBondContact O-OG 3.34Å; N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 PolarHBondContact O-N 3.34Å; S302-W304 PolarHBondContact O-N 2.92Å; S302-W304 WeakPolarHBondContact OG-CB 3.26Å; S302-W304 PolarHBondContact OG-N 3.35Å; S302-W304 VanDerWaalsContact OG-N 3.15Å
303	G	96.7	Very high	94.6	Very high	16 Å²	16	52 Å²	52	17%	0.165	26%	0.263	C	S	.	.			trans	73.8	-1	-174.1	0	0	0	0	0	114.1	N300 K301 L305 K306 H307	N300-G303 PolarHBondContact O-N 3.13Å; K301-G303 PolarHBondContact O-N 3.31Å; G303-L305 PolarHBondContact O-N 3.36Å; G303-K306 WeakPolarHBondContact O-CB 3.33Å; G303-K306 PolarHBondContact O-N 2.75Å; G303-H307 PolarHBondContact O-CD2 3.23Å; G303-H307 VanDerWaalsContact O-CD2 3.31Å; G303-H307 PolarHBondContact O-N 2.83Å
304	W	97.8	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-51.9	-171.6	-172.7	-102.3	0	0	0	112.6	V274 S277 L278 L281 S302 K306 H307 L308 P392 Q396 D399 Y541	V274-W304 HydrophobicContact CG1-CZ3 4.23Å; S277-W304 WeakPolarHBondContact OG-CA 3.38Å; S277-W304 PolarHBondContact OG-N 3.02Å; L278-W304 HydrophobicContact CB-CE3 4.29Å; L278-W304 HydrophobicContact CB-CH2 4.43Å; L278-W304 HydrophobicContact CB-CZ3 3.76Å; L278-W304 HydrophobicContact CD1-CH2 4.29Å; L278-W304 HydrophobicContact CD1-CZ3 4.26Å; L281-W304 HydrophobicContact CD2-CB 4.12Å; L281-W304 HydrophobicContact CD2-CD2 3.93Å; L281-W304 HydrophobicContact CD2-CG 3.67Å; S302-W304 PolarHBondContact O-N 2.92Å; S302-W304 WeakPolarHBondContact OG-CB 3.26Å; S302-W304 PolarHBondContact OG-N 3.35Å; S302-W304 VanDerWaalsContact OG-N 3.15Å; W304-K306 VanDerWaalsContact C-N 3.26Å; W304-K306 PolarHBondContact O-N 2.98Å; W304-H307 WeakPolarHBondContact O-CB 3.39Å; W304-H307 PolarHBondContact O-N 2.93Å; W304-H307 VanDerWaalsContact O-N 3.11Å; W304-L308 PolarHBondContact O-N 3.04Å; W304-L308 VanDerWaalsContact O-N 3.12Å; W304-P392 HydrophobicContact CH2-CB 4.34Å; W304-P392 HydrophobicContact CH2-CG 3.98Å; W304-P392 HydrophobicContact CZ3-CG 4.11Å; W304-Q396 HydrophobicContact CH2-CG 3.39Å; W304-Q396 HydrophobicContact CZ2-CG 3.68Å; W304-Q396 HydrophobicContact CZ3-CG 4.04Å; W304-D399 PolarHBondContact NE1-OD2 2.79Å; W304-Y541 AromaticContact CE2-CZ 3.96Å; W304-Y541 VanDerWaalsContact CE2-OH 3.26Å; W304-Y541 WeakPolarHBondContact CZ2-OH 3.18Å; W304-Y541 AromaticContact NE1-CE2 3.97Å; W304-Y541 AromaticContact NE1-CZ 3.71Å; W304-Y541 PolarHBondContact NE1-OH 3.31Å
305	L	94.1	Very high	95.6	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.157	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-30.9	179.4	-59.4	-178.2	0	0	0	112.8	L299 G303 L308 H309	L299-L305 HydrophobicContact CD1-CG 4.45Å; L299-L305 HydrophobicContact CD2-CD1 4.12Å; L299-L305 HydrophobicContact CG-CD1 4.26Å; G303-L305 PolarHBondContact O-N 3.36Å; L305-L308 HydrophobicContact CD2-CD1 4.21Å; L305-L308 PolarHBondContact O-N 2.99Å; L305-H309 WeakPolarHBondContact O-CB 3.35Å; L305-H309 PolarHBondContact O-N 3.04Å
306	K	96.3	Very high	96	Very high	157 Å²	157	38.1 Å²	38.1	68%	0.683	20%	0.198	S	C	*	.	H	α-helix	trans	-66.8	-39.2	174.9	-63.2	-174.2	177.1	-174.1	0	111.2	G303 W304 H309 A310	G303-K306 WeakPolarHBondContact O-CB 3.33Å; G303-K306 PolarHBondContact O-N 2.75Å; W304-K306 VanDerWaalsContact C-N 3.26Å; W304-K306 PolarHBondContact O-N 2.98Å; K306-H309 PolarHBondContact O-N 2.86Å; K306-A310 PolarHBondContact O-N 3.1Å
307	H	98.2	Very high	96.5	Very high	25 Å²	25	37.1 Å²	37.1	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-44.1	174.7	-61.5	-45.2	0	0	0	111.7	S277 G303 W304 H309 A310 I311	S277-H307 PolarHBondContact OG-CD2 2.74Å; G303-H307 PolarHBondContact O-CD2 3.23Å; G303-H307 VanDerWaalsContact O-CD2 3.31Å; G303-H307 PolarHBondContact O-N 2.83Å; W304-H307 WeakPolarHBondContact O-CB 3.39Å; W304-H307 PolarHBondContact O-N 2.93Å; W304-H307 VanDerWaalsContact O-N 3.11Å; H307-H309 VanDerWaalsContact C-N 3.3Å; H307-H309 PolarHBondContact O-N 2.69Å; H307-A310 PolarHBondContact O-N 3.12Å; H307-I311 WeakPolarHBondContact O-CD1 3.39Å; H307-I311 VanDerWaalsContact O-CG1 3.23Å; H307-I311 WeakPolarHBondContact O-CG1 3.46Å; H307-I311 PolarHBondContact O-N 3.21Å
308	L	97.9	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176.5	-58.5	-176	0	0	0	111.8	W304 L305 I311 L312 Q396 D399 F534	W304-L308 PolarHBondContact O-N 3.04Å; W304-L308 VanDerWaalsContact O-N 3.12Å; L305-L308 HydrophobicContact CD2-CD1 4.21Å; L305-L308 PolarHBondContact O-N 2.99Å; L308-I311 PolarHBondContact O-N 3.13Å; L308-L312 PolarHBondContact O-N 3.04Å; L308-Q396 HydrophobicContact CD2-CB 4.2Å; L308-Q396 HydrophobicContact CD2-CG 4.25Å; L308-D399 HydrophobicContact CD1-CB 4.14Å; L308-D399 HydrophobicContact CD2-CB 3.93Å; L308-F534 HydrophobicContact CB-CD1 4.07Å; L308-F534 HydrophobicContact CB-CE1 4.06Å
309	H	96.7	Very high	97.1	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-50.7	177.5	-178.8	-84.7	0	0	0	111.6	L305 K306 H307 I311 L312 E313 L529 F534	L305-H309 WeakPolarHBondContact O-CB 3.35Å; L305-H309 PolarHBondContact O-N 3.04Å; K306-H309 PolarHBondContact O-N 2.86Å; H307-H309 VanDerWaalsContact C-N 3.3Å; H307-H309 PolarHBondContact O-N 2.69Å; H309-I311 VanDerWaalsContact C-N 3.29Å; H309-I311 PolarHBondContact O-N 2.97Å; H309-L312 PolarHBondContact O-N 3.38Å; H309-L312 VanDerWaalsContact O-N 3.15Å; H309-E313 IonicContact CE1-OE2 2.77Å; H309-E313 WeakPolarHBondContact O-CB 3.37Å; H309-E313 PolarHBondContact O-N 3.31Å; H309-L529 PolarHBondContact CD2-O 3.41Å; H309-L529 PolarHBondContact NE2-O 2.94Å; H309-F534 VanDerWaalsContact CA-CE1 3.47Å; H309-F534 HydrophobicContact CB-CD1 4.24Å; H309-F534 HydrophobicContact CB-CE1 3.93Å; H309-F534 HydrophobicContact CB-CE2 4.42Å; H309-F534 HydrophobicContact CB-CZ 4.02Å; H309-F534 AromaticContact CD2-CE2 3.51Å; H309-F534 AromaticContact CD2-CZ 3.77Å
310	A	98.1	Very high	97.3	Very high	14 Å²	14	37.5 Å²	37.5	12%	0.116	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-38.5	177.8	0	0	0	0	0	112.9	I268 K306 H307 A314	I268-A310 HydrophobicContact CG1-CB 4.33Å; K306-A310 PolarHBondContact O-N 3.1Å; H307-A310 PolarHBondContact O-N 3.12Å; A310-A314 PolarHBondContact O-N 3.15Å; A310-A314 VanDerWaalsContact O-N 3.09Å
311	I	98.8	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-48.5	175.6	-67.3	162.6	0	0	0	111.1	I268 H307 L308 H309 A314 A315 Q341 L345 Q396	I268-I311 HydrophobicContact CD1-CB 4.37Å; I268-I311 HydrophobicContact CD1-CG1 4.01Å; I268-I311 HydrophobicContact CG1-CG1 4.4Å; I268-I311 HydrophobicContact CG2-CG1 3.81Å; H307-I311 WeakPolarHBondContact O-CD1 3.39Å; H307-I311 VanDerWaalsContact O-CG1 3.23Å; H307-I311 WeakPolarHBondContact O-CG1 3.46Å; H307-I311 PolarHBondContact O-N 3.21Å; L308-I311 PolarHBondContact O-N 3.13Å; H309-I311 VanDerWaalsContact C-N 3.29Å; H309-I311 PolarHBondContact O-N 2.97Å; I311-A314 PolarHBondContact O-N 3.2Å; I311-A315 WeakPolarHBondContact O-CB 3.49Å; I311-A315 PolarHBondContact O-N 3.26Å; I311-Q341 HydrophobicContact CG2-CB 4.09Å; I311-L345 HydrophobicContact CG2-CD1 3.4Å; I311-L345 VanDerWaalsContact CG2-CD1 3.4Å; I311-Q396 HydrophobicContact CD1-CB 4.16Å
312	L	98.4	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.8	-33.7	179.9	-78.6	178.9	0	0	0	112.6	L308 H309 A315 H316 L345 C400 H403 L404 L529 F534	L308-L312 PolarHBondContact O-N 3.04Å; H309-L312 PolarHBondContact O-N 3.38Å; H309-L312 VanDerWaalsContact O-N 3.15Å; L312-A315 PolarHBondContact O-N 2.99Å; L312-H316 VanDerWaalsContact O-CB 3.27Å; L312-H316 WeakPolarHBondContact O-CB 3.28Å; L312-H316 PolarHBondContact O-N 3.17Å; L312-L345 HydrophobicContact CD2-CD1 4.17Å; L312-L345 HydrophobicContact CD2-CD2 4.18Å; L312-C400 HydrophobicContact CD1-CB 4.31Å; L312-C400 HydrophobicContact CD2-CB 4.01Å; L312-C400 HydrophobicContact CG-CB 4.02Å; L312-H403 HydrophobicContact CD1-CB 4.42Å; L312-H403 VanDerWaalsContact CD1-CD2 3.4Å; L312-H403 WeakPolarHBondContact CD1-CD2 3.2Å; L312-L404 HydrophobicContact CD1-CD2 4.29Å; L312-L404 HydrophobicContact CD2-CD1 4.05Å; L312-L404 HydrophobicContact CD2-CD2 3.99Å; L312-L404 HydrophobicContact CD2-CG 4.06Å; L312-L529 HydrophobicContact CB-CD2 3.84Å; L312-L529 WeakPolarHBondContact O-CD2 3.48Å; L312-F534 HydrophobicContact CB-CZ 4.32Å; L312-F534 HydrophobicContact CD1-CE1 3.78Å; L312-F534 HydrophobicContact CD1-CZ 3.72Å
313	E	98.1	Very high	97.6	Very high	88 Å²	88	30.5 Å²	30.5	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-61.7	-47.1	174.3	-175.7	173.7	-149.6	0	0	111.1	F266 H309 H316 F317	F266-E313 HydrophobicContact CD1-CG 4.23Å; F266-E313 HydrophobicContact CE1-CG 4.14Å; H309-E313 IonicContact CE1-OE2 2.77Å; H309-E313 WeakPolarHBondContact O-CB 3.37Å; H309-E313 PolarHBondContact O-N 3.31Å; E313-H316 PolarHBondContact O-N 3.38Å; E313-F317 WeakPolarHBondContact O-CB 3.35Å; E313-F317 PolarHBondContact O-N 2.9Å
314	A	98.7	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-46.3	173.9	0	0	0	0	0	112.1	F266 I268 A310 I311 F317 V318 V342	F266-A314 HydrophobicContact CB-CB 3.74Å; F266-A314 VanDerWaalsContact CD1-CA 3.49Å; F266-A314 HydrophobicContact CD1-CB 3.71Å; F266-A314 HydrophobicContact CD2-CB 3.85Å; F266-A314 HydrophobicContact CE1-CB 4.31Å; F266-A314 HydrophobicContact CE2-CB 4.41Å; F266-A314 HydrophobicContact CG-CB 3.47Å; F266-A314 VanDerWaalsContact CG-CB 3.47Å; I268-A314 HydrophobicContact CD1-CB 3.86Å; A310-A314 PolarHBondContact O-N 3.15Å; A310-A314 VanDerWaalsContact O-N 3.09Å; I311-A314 PolarHBondContact O-N 3.2Å; A314-F317 PolarHBondContact O-N 3.36Å; A314-V318 VanDerWaalsContact O-CG2 3.29Å; A314-V318 WeakPolarHBondContact O-CG2 3.42Å; A314-V318 PolarHBondContact O-N 3.39Å; A314-V342 HydrophobicContact CB-CG1 4.25Å; A314-V342 HydrophobicContact CB-CG2 3.8Å
315	A	98.8	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-44	179.5	0	0	0	0	0	112.3	I311 L312 V318 A319 L345 A346 I349	I311-A315 WeakPolarHBondContact O-CB 3.49Å; I311-A315 PolarHBondContact O-N 3.26Å; L312-A315 PolarHBondContact O-N 2.99Å; A315-V318 PolarHBondContact O-N 3.36Å; A315-A319 VanDerWaalsContact O-CB 3.32Å; A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 2.62Å; A315-L345 HydrophobicContact CB-CB 3.52Å; A315-A346 HydrophobicContact CB-CB 4.48Å; A315-A346 WeakPolarHBondContact O-CB 3.43Å; A315-I349 HydrophobicContact CB-CD1 3.93Å
316	H	98.2	Very high	97.5	Very high	16 Å²	16	34.2 Å²	34.2	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-39.1	176.7	-177.3	82.1	0	0	0	111.7	L312 E313 A319 K320 I349 L529	L312-H316 VanDerWaalsContact O-CB 3.27Å; L312-H316 WeakPolarHBondContact O-CB 3.28Å; L312-H316 PolarHBondContact O-N 3.17Å; E313-H316 PolarHBondContact O-N 3.38Å; H316-A319 PolarHBondContact O-N 2.97Å; H316-K320 VanDerWaalsContact O-CB 3.25Å; H316-K320 WeakPolarHBondContact O-CB 3.29Å; H316-K320 PolarHBondContact O-N 2.95Å; H316-I349 HydrophobicContact CB-CD1 4.24Å; H316-L529 HydrophobicContact CB-CD1 3.84Å; H316-L529 HydrophobicContact CB-CD2 4.1Å; H316-L529 HydrophobicContact CB-CG 4.26Å
317	F	98.4	Very high	97.6	Very high	41 Å²	41	26.8 Å²	26.8	18%	0.18	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-50.3	173.7	176.2	-91.3	0	0	0	111.4	Y232 V234 Q264 F266 E313 A314 A319 K320 R321	Y232-F317 HydrophobicContact CD1-CE1 4.28Å; Y232-F317 AromaticContact CD1-CZ 3.99Å; Y232-F317 HydrophobicContact CD1-CZ 3.99Å; Y232-F317 HydrophobicContact CE1-CZ 4.19Å; V234-F317 HydrophobicContact CG2-CD1 4.04Å; V234-F317 HydrophobicContact CG2-CE1 3.88Å; Q264-F317 HydrophobicContact CB-CE1 4.3Å; Q264-F317 HydrophobicContact CB-CZ 4.33Å; Q264-F317 HydrophobicContact CG-CE1 4.24Å; Q264-F317 HydrophobicContact CG-CZ 4.12Å; F266-F317 HydrophobicContact CE1-CB 3.87Å; F266-F317 HydrophobicContact CE1-CG 4.21Å; F266-F317 HydrophobicContact CE2-CB 4.36Å; F266-F317 AromaticContact CE2-CD1 3.83Å; F266-F317 HydrophobicContact CE2-CD1 3.83Å; F266-F317 HydrophobicContact CE2-CE1 4.34Å; F266-F317 HydrophobicContact CE2-CG 4.14Å; F266-F317 HydrophobicContact CZ-CB 3.43Å; F266-F317 VanDerWaalsContact CZ-CB 3.43Å; F266-F317 AromaticContact CZ-CD1 3.53Å; F266-F317 HydrophobicContact CZ-CD1 3.53Å; F266-F317 AromaticContact CZ-CD2 3.91Å; F266-F317 HydrophobicContact CZ-CD2 3.91Å; F266-F317 HydrophobicContact CZ-CE1 4.22Å; F266-F317 AromaticContact CZ-CG 3.35Å; F266-F317 HydrophobicContact CZ-CG 3.35Å; E313-F317 WeakPolarHBondContact O-CB 3.35Å; E313-F317 PolarHBondContact O-N 2.9Å; A314-F317 PolarHBondContact O-N 3.36Å; F317-A319 VanDerWaalsContact C-N 3.3Å; F317-A319 PolarHBondContact O-N 3.15Å; F317-K320 PolarHBondContact O-N 3.04Å; F317-R321 HydrophobicContact CD1-CG 4.05Å; F317-R321 HydrophobicContact CE1-CG 3.67Å; F317-R321 HydrophobicContact CE2-CG 4.24Å; F317-R321 HydrophobicContact CG-CG 4.48Å; F317-R321 HydrophobicContact CZ-CG 3.78Å; F317-R321 WeakPolarHBondContact O-CG 3.4Å; F317-R321 PolarHBondContact O-N 3.16Å
318	V	98.7	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.7	-47.7	176.6	171.7	0	0	0	0	110.2	L197 V234 A314 A315 K320 R321 L322 V328 V330 V342 A346	L197-V318 HydrophobicContact CD1-CG1 3.5Å; L197-V318 HydrophobicContact CD2-CG1 4.29Å; V234-V318 HydrophobicContact CB-CG2 4.38Å; V234-V318 HydrophobicContact CG1-CG2 4.26Å; V234-V318 HydrophobicContact CG2-CG2 4Å; A314-V318 VanDerWaalsContact O-CG2 3.29Å; A314-V318 WeakPolarHBondContact O-CG2 3.42Å; A314-V318 PolarHBondContact O-N 3.39Å; A315-V318 PolarHBondContact O-N 3.36Å; V318-K320 PolarHBondContact O-N 3.29Å; V318-R321 PolarHBondContact O-N 2.91Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.72Å; V318-L322 VanDerWaalsContact O-N 3.13Å; V318-V328 HydrophobicContact CG1-CB 4.42Å; V318-V328 HydrophobicContact CG1-CG1 4.24Å; V318-V328 HydrophobicContact CG2-CG1 4.16Å; V318-V330 HydrophobicContact CG1-CG2 4.27Å; V318-V330 HydrophobicContact CG2-CG2 3.81Å; V318-V342 HydrophobicContact CG2-CG1 3.82Å; V318-A346 HydrophobicContact CB-CB 3.92Å; V318-A346 HydrophobicContact CG1-CB 3.68Å
319	A	98.2	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-48.6	-179.9	0	0	0	0	0	112.3	A315 H316 F317 R321 L322 D323 A346 I349 L350 I523	A315-A319 VanDerWaalsContact O-CB 3.32Å; A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 2.62Å; H316-A319 PolarHBondContact O-N 2.97Å; F317-A319 VanDerWaalsContact C-N 3.3Å; F317-A319 PolarHBondContact O-N 3.15Å; A319-R321 PolarHBondContact O-N 3.15Å; A319-L322 PolarHBondContact O-N 2.94Å; A319-D323 PolarHBondContact O-N 2.88Å; A319-A346 HydrophobicContact CB-CB 4.41Å; A319-I349 HydrophobicContact CB-CB 4.08Å; A319-I349 HydrophobicContact CB-CG2 3.57Å; A319-L350 HydrophobicContact CB-CD1 3.66Å; A319-L350 HydrophobicContact CB-CG 3.85Å; A319-L350 WeakPolarHBondContact O-CD1 3.07Å; A319-I523 HydrophobicContact CB-CD1 4.47Å
320	K	97.2	Very high	97.8	Very high	91 Å²	91	23.4 Å²	23.4	40%	0.396	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-41	178.4	-176.1	175.4	-177.6	178	0	112.6	H316 F317 V318 L322 D323 E324 I523	H316-K320 VanDerWaalsContact O-CB 3.25Å; H316-K320 WeakPolarHBondContact O-CB 3.29Å; H316-K320 PolarHBondContact O-N 2.95Å; F317-K320 PolarHBondContact O-N 3.04Å; V318-K320 PolarHBondContact O-N 3.29Å; K320-L322 VanDerWaalsContact C-N 3.34Å; K320-L322 PolarHBondContact O-N 2.84Å; K320-D323 PolarHBondContact O-N 2.83Å; K320-E324 WeakPolarHBondContact CE-OE1 3.09Å; K320-E324 HydrophobicContact CG-CG 4.48Å; K320-E324 WeakPolarHBondContact CG-OE1 3.49Å; K320-E324 WeakPolarHBondContact O-CB 3.44Å; K320-E324 VanDerWaalsContact O-CG 3.26Å; K320-E324 WeakPolarHBondContact O-CG 3.42Å; K320-E324 PolarHBondContact O-N 3.45Å; K320-I523 HydrophobicContact CB-CD1 4.44Å
321	R	97.6	Very high	97.8	Very high	44 Å²	44	22.7 Å²	22.7	17%	0.166	11%	0.109	C	C	.	.	H	α-helix	trans	-63.6	-39.7	177.2	-69.4	-55.4	102.1	-177.5	1	112.1	Y232 F317 V318 A319 E324 G325 N326 V328	Y232-R321 HydrophobicContact CD1-CG 4.43Å; Y232-R321 HydrophobicContact CD2-CB 4.39Å; Y232-R321 HydrophobicContact CD2-CG 4.19Å; Y232-R321 HydrophobicContact CE2-CG 4.3Å; Y232-R321 HydrophobicContact CG-CG 4.25Å; Y232-R321 PolarHBondContact OH-NH1 3.47Å; F317-R321 HydrophobicContact CD1-CG 4.05Å; F317-R321 HydrophobicContact CE1-CG 3.67Å; F317-R321 HydrophobicContact CE2-CG 4.24Å; F317-R321 HydrophobicContact CG-CG 4.48Å; F317-R321 HydrophobicContact CZ-CG 3.78Å; F317-R321 WeakPolarHBondContact O-CG 3.4Å; F317-R321 PolarHBondContact O-N 3.16Å; V318-R321 PolarHBondContact O-N 2.91Å; A319-R321 PolarHBondContact O-N 3.15Å; R321-E324 VanDerWaalsContact CZ-CD 3.48Å; R321-E324 IonicContact CZ-OE1 3.2Å; R321-E324 IonicContact CZ-OE2 2.73Å; R321-E324 IonicContact NE-OE2 3.34Å; R321-E324 PolarHBondContact NE-OE2 3.27Å; R321-E324 IonicContact NH1-OE1 2.66Å; R321-E324 IonicContact NH1-OE2 3.41Å; R321-E324 PolarHBondContact NH1-OE2 3.4Å; R321-E324 IonicContact NH2-OE1 2.76Å; R321-E324 PolarHBondContact NH2-OE1 2.96Å; R321-E324 IonicContact NH2-OE2 3.93Å; R321-E324 PolarHBondContact NH2-OE2 2.85Å; R321-G325 PolarHBondContact O-N 3.48Å; R321-N326 WeakPolarHBondContact O-CB 3.47Å; R321-N326 PolarHBondContact O-N 3.27Å; R321-N326 PolarHBondContact O-ND2 3.47Å; R321-V328 HydrophobicContact CB-CG2 3.77Å
322	L	97.3	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-44.8	176.8	-67.9	163.7	0	0	0	111.5	Y188 S195 L197 V318 A319 K320 G325 N326 V328 L350	Y188-L322 HydrophobicContact CD1-CD1 4.41Å; S195-L322 VanDerWaalsContact CB-O 3.31Å; S195-L322 WeakPolarHBondContact CB-O 3.42Å; S195-L322 PolarHBondContact OG-O 3.22Å; L197-L322 HydrophobicContact CB-CD1 3.92Å; L197-L322 HydrophobicContact CB-CD2 4.11Å; L197-L322 HydrophobicContact CD1-CD1 4.43Å; L197-L322 HydrophobicContact CD2-CD1 4.27Å; L197-L322 HydrophobicContact CG-CD1 4.42Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 WeakPolarHBondContact O-CG 3.42Å; V318-L322 PolarHBondContact O-N 2.72Å; V318-L322 VanDerWaalsContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 2.94Å; K320-L322 VanDerWaalsContact C-N 3.34Å; K320-L322 PolarHBondContact O-N 2.84Å; L322-G325 PolarHBondContact O-N 3.29Å; L322-N326 WeakPolarHBondContact CA-O 3.4Å; L322-V328 HydrophobicContact CD2-CG2 4.14Å; L322-V328 HydrophobicContact CG-CG2 4.11Å; L322-L350 HydrophobicContact CB-CD1 3.96Å; L322-L350 HydrophobicContact CD1-CD1 3.71Å; L322-L350 HydrophobicContact CG-CD1 4.49Å
323	D	94.7	Very high	97.7	Very high	72 Å²	72	23.6 Å²	23.6	39%	0.385	12%	0.116	S	C	.	.	H	α-helix	trans	-62.3	-40.2	177.4	-166.8	52.6	0	0	0	111.9	H190 A319 K320 G325 L350 I523	H190-D323 IonicContact NE2-OD1 3.24Å; A319-D323 PolarHBondContact O-N 2.88Å; K320-D323 PolarHBondContact O-N 2.83Å; D323-G325 PolarHBondContact O-N 2.93Å; D323-G325 VanDerWaalsContact O-N 3.09Å; D323-L350 HydrophobicContact CB-CD2 4.14Å; D323-I523 HydrophobicContact CB-CD1 4.24Å
324	E	95.2	Very high	97.6	Very high	90 Å²	90	21 Å²	21	42%	0.421	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	1.2	172.3	-72.5	173.4	-164.4	0	0	114.3	K320 R321	K320-E324 WeakPolarHBondContact CE-OE1 3.09Å; K320-E324 HydrophobicContact CG-CG 4.48Å; K320-E324 WeakPolarHBondContact CG-OE1 3.49Å; K320-E324 WeakPolarHBondContact O-CB 3.44Å; K320-E324 VanDerWaalsContact O-CG 3.26Å; K320-E324 WeakPolarHBondContact O-CG 3.42Å; K320-E324 PolarHBondContact O-N 3.45Å; R321-E324 VanDerWaalsContact CZ-CD 3.48Å; R321-E324 IonicContact CZ-OE1 3.2Å; R321-E324 IonicContact CZ-OE2 2.73Å; R321-E324 IonicContact NE-OE2 3.34Å; R321-E324 PolarHBondContact NE-OE2 3.27Å; R321-E324 IonicContact NH1-OE1 2.66Å; R321-E324 IonicContact NH1-OE2 3.41Å; R321-E324 PolarHBondContact NH1-OE2 3.4Å; R321-E324 IonicContact NH2-OE1 2.76Å; R321-E324 PolarHBondContact NH2-OE1 2.96Å; R321-E324 IonicContact NH2-OE2 3.93Å; R321-E324 PolarHBondContact NH2-OE2 2.85Å
325	G	95.6	Very high	97.5	Very high	15 Å²	15	21 Å²	21	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	13.2	175.4	0	0	0	0	0	115.6	S195 N225 S228 R321 L322 D323	S195-G325 WeakPolarHBondContact OG-CA 3.16Å; N225-G325 PolarHBondContact ND2-O 3.1Å; S228-G325 WeakPolarHBondContact CB-O 3.33Å; R321-G325 PolarHBondContact O-N 3.48Å; L322-G325 PolarHBondContact O-N 3.29Å; D323-G325 PolarHBondContact O-N 2.93Å; D323-G325 VanDerWaalsContact O-N 3.09Å
326	N	97.2	Very high	97.4	Very high	19 Å²	19	21.2 Å²	21.2	10%	0.102	11%	0.105	C	C	.	.			trans	-103.4	151.5	-179.4	-58.5	-80.6	0	0	0	112.8	S195 S228 Y232 R321 L322	S195-N326 WeakPolarHBondContact CB-O 3.28Å; S228-N326 PolarHBondContact OG-OD1 2.84Å; Y232-N326 HydrophobicContact CD2-CB 3.82Å; Y232-N326 HydrophobicContact CE2-CB 3.77Å; R321-N326 WeakPolarHBondContact O-CB 3.47Å; R321-N326 PolarHBondContact O-N 3.27Å; R321-N326 PolarHBondContact O-ND2 3.47Å; L322-N326 WeakPolarHBondContact CA-O 3.4Å
327	S	98.3	Very high	97.5	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	148.4	170.5	-63.9	0	0	0	0	111.2	A196 N225 Y232	A196-S327 PolarHBondContact N-OG 2.95Å; A196-S327 VanDerWaalsContact N-OG 3.11Å; A196-S327 CarbonylContact O-C 3.32Å; A196-S327 WeakPolarHBondContact O-CA 3.4Å; N225-S327 WeakPolarHBondContact CB-OG 3.18Å; Y232-S327 PolarHBondContact N-O 3.13Å
328	V	98.8	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.5	-175.3	-170.2	0	0	0	0	110.7	A196 L197 C198 Y232 V234 V318 R321 L322 V330	A196-V328 PolarHBondContact O-N 2.86Å; L197-V328 WeakPolarHBondContact CA-O 3.45Å; L197-V328 HydrophobicContact CD1-CB 4.19Å; L197-V328 HydrophobicContact CD1-CG1 4.49Å; C198-V328 PolarHBondContact N-O 3.1Å; Y232-V328 CarbonylContact O-C 3.48Å; Y232-V328 VanDerWaalsContact O-CA 3.31Å; Y232-V328 WeakPolarHBondContact O-CA 3.44Å; V234-V328 HydrophobicContact CB-CG1 4.38Å; V234-V328 HydrophobicContact CG2-CG1 3.7Å; V318-V328 HydrophobicContact CG1-CB 4.42Å; V318-V328 HydrophobicContact CG1-CG1 4.24Å; V318-V328 HydrophobicContact CG2-CG1 4.16Å; R321-V328 HydrophobicContact CB-CG2 3.77Å; L322-V328 HydrophobicContact CD2-CG2 4.14Å; L322-V328 HydrophobicContact CG-CG2 4.11Å; V328-V330 HydrophobicContact CG1-CG2 4.12Å
329	L	98.8	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.9	166.8	176.3	63.3	0	0	0	109.1	P184 C198 L218 Y232 V233 V234	P184-L329 HydrophobicContact CB-CD1 3.93Å; P184-L329 HydrophobicContact CG-CD1 4.3Å; P184-L329 HydrophobicContact CG-CD2 4.2Å; C198-L329 HydrophobicContact CB-CD1 3.73Å; C198-L329 WeakPolarHBondContact O-CA 3.01Å; L218-L329 HydrophobicContact CD1-CD2 4.37Å; L218-L329 HydrophobicContact CD2-CD2 4.14Å; L218-L329 HydrophobicContact CG-CD2 4.24Å; Y232-L329 PolarHBondContact O-N 3.23Å; V233-L329 CarbonylContact C-O 3.4Å; V233-L329 WeakPolarHBondContact CA-O 3.45Å; V234-L329 PolarHBondContact N-O 3.49Å
330	V	98.9	Very high	97.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	174.9	-175.4	0	0	0	0	109.8	L197 C198 R199 S200 V234 T236 V318 V328 T339 V342	L197-V330 HydrophobicContact CD1-CG2 3.67Å; C198-V330 PolarHBondContact O-N 3.03Å; R199-V330 VanDerWaalsContact CA-O 3.31Å; R199-V330 WeakPolarHBondContact CA-O 3.36Å; S200-V330 PolarHBondContact N-O 2.68Å; S200-V330 VanDerWaalsContact N-O 3.08Å; V234-V330 HydrophobicContact CB-CG2 4.22Å; V234-V330 HydrophobicContact CG1-CG1 4.47Å; V234-V330 WeakPolarHBondContact O-CA 3.25Å; T236-V330 HydrophobicContact CG2-CG1 3.93Å; V318-V330 HydrophobicContact CG1-CG2 4.27Å; V318-V330 HydrophobicContact CG2-CG2 3.81Å; V328-V330 HydrophobicContact CG1-CG2 4.12Å; V330-T339 HydrophobicContact CB-CG2 4.44Å; V330-T339 HydrophobicContact CG1-CG2 4.12Å; V330-T339 WeakPolarHBondContact O-CG2 3.26Å; V330-V342 HydrophobicContact CG1-CB 4.15Å; V330-V342 HydrophobicContact CG1-CG1 3.91Å; V330-V342 HydrophobicContact CG2-CG1 4.32Å
331	H	98.7	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	174.5	169	68.2	88.1	0	0	0	111.3	S200 V233 V234 D235 T236 E253 T339	S200-H331 WeakPolarHBondContact O-CA 3.44Å; S200-H331 WeakPolarHBondContact O-CB 3.25Å; S200-H331 WeakPolarHBondContact OG-CB 3.43Å; V233-H331 VanDerWaalsContact CG1-NE2 3.29Å; V233-H331 WeakPolarHBondContact CG1-NE2 3.29Å; V234-H331 PolarHBondContact O-N 2.84Å; D235-H331 WeakPolarHBondContact CA-O 2.8Å; D235-H331 IonicContact OD2-CE1 3.63Å; T236-H331 PolarHBondContact N-O 2.91Å; E253-H331 IonicContact OE1-CD2 3.45Å; E253-H331 IonicContact OE1-NE2 3.99Å; E253-H331 IonicContact OE2-CE1 3.72Å; E253-H331 IonicContact OE2-NE2 3.38Å; E253-H331 PolarHBondContact OE2-NE2 2.93Å; E253-H331 VanDerWaalsContact OE2-NE2 3.08Å; H331-T339 VanDerWaalsContact C-OG1 3.31Å; H331-T339 WeakPolarHBondContact CA-OG1 3.5Å
332	C	96.9	Very high	97.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.072	C	C	.	.			trans	-141.2	-131	172.5	64.1	0	0	0	0	107.9	Q202 T236 R237 G335 R338 T339	Q202-C332 WeakPolarHBondContact CB-O 2.93Å; Q202-C332 PolarHBondContact N-O 2.9Å; T236-C332 WeakPolarHBondContact OG1-CB 3.3Å; R237-C332 HydrophobicContact CG-CB 4.31Å; C332-G335 PolarHBondContact SG-N 2.9Å; C332-R338 HydrophobicContact CB-CB 4.21Å; C332-T339 PolarHBondContact N-OG1 3.46Å; C332-T339 PolarHBondContact SG-OG1 3.14Å
333	S	97.1	Very high	97.7	Very high	18 Å²	18	13.3 Å²	13.3	13%	0.126	7%	0.072	C	C	.	.	S	Bend	trans	-73.5	-75.2	167	-57.1	0	0	0	0	111.2	Q202 N245 R338	Q202-S333 VanDerWaalsContact CG-O 3.25Å; Q202-S333 WeakPolarHBondContact CG-O 3.46Å; Q202-S333 PolarHBondContact N-O 3.38Å; Q202-S333 PolarHBondContact NE2-O 3.07Å; N245-S333 PolarHBondContact ND2-OG 3.4Å; S333-R338 PolarHBondContact OG-NH2 3.1Å
334	D	96.3	Very high	97.9	Very high	32 Å²	32	9.9 Å²	9.9	17%	0.171	5%	0.054	C	C	.	.	S	Bend	trans	-97.6	-9.7	-175.1	-63.3	-69.6	0	0	0	113.4	R180 R182 W336	R180-D334 IonicContact NE-OD1 3.75Å; R180-D334 PolarHBondContact NE-OD1 3.39Å; R182-D334 WeakPolarHBondContact CD-O 3.34Å; R182-D334 PolarHBondContact NE-O 3.44Å; D334-W336 HydrophobicContact CB-CD2 3.73Å; D334-W336 VanDerWaalsContact CB-CE2 3.4Å; D334-W336 HydrophobicContact CB-CE3 4.08Å; D334-W336 HydrophobicContact CB-CG 4.4Å; D334-W336 HydrophobicContact CB-CH2 3.97Å; D334-W336 HydrophobicContact CB-CZ2 3.52Å; D334-W336 HydrophobicContact CB-CZ3 4.21Å; D334-W336 PolarHBondContact O-N 3.36Å
335	G	97.2	Very high	98.1	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.01	3%	0.034	C	C	.	.	S	Bend	trans	78.8	16.4	172.6	0	0	0	0	0	116.1	R182 S200 C332 T339	R182-G335 PolarHBondContact NH2-O 3.02Å; S200-G335 VanDerWaalsContact O-CA 3.25Å; S200-G335 WeakPolarHBondContact O-CA 2.9Å; C332-G335 PolarHBondContact SG-N 2.9Å; G335-T339 WeakPolarHBondContact CA-OG1 3.23Å
336	W	97.3	Very high	98.2	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.015	3%	0.027	C	C	.	.	S	Bend	trans	-121.8	-18.4	179	55	54.9	0	0	0	115.1	T155 R180 D334 A340 G372 Y373 K374	T155-W336 HydrophobicContact CG2-CZ3 4.22Å; R180-W336 VanDerWaalsContact CZ-CH2 3.48Å; D334-W336 HydrophobicContact CB-CD2 3.73Å; D334-W336 VanDerWaalsContact CB-CE2 3.4Å; D334-W336 HydrophobicContact CB-CE3 4.08Å; D334-W336 HydrophobicContact CB-CG 4.4Å; D334-W336 HydrophobicContact CB-CH2 3.97Å; D334-W336 HydrophobicContact CB-CZ2 3.52Å; D334-W336 HydrophobicContact CB-CZ3 4.21Å; D334-W336 PolarHBondContact O-N 3.36Å; W336-A340 VanDerWaalsContact O-CB 3.28Å; W336-A340 WeakPolarHBondContact O-CB 3.27Å; W336-G372 WeakPolarHBondContact CB-O 3.49Å; W336-Y373 WeakPolarHBondContact O-CD2 3.44Å; W336-K374 HydrophobicContact CD2-CD 4.48Å; W336-K374 HydrophobicContact CH2-CD 4.21Å; W336-K374 VanDerWaalsContact CH2-CE 3.45Å; W336-K374 HydrophobicContact CZ2-CD 3.8Å
337	D	98.6	Very high	98.3	Very high	11 Å²	11	4 Å²	4	6%	0.059	2%	0.022	C	C	.	.	S	Bend	trans	-94	-90.4	179.2	-69.2	-56.3	0	0	0	109.7	T339 A340 Q341 Y373 R378 I393	D337-T339 VanDerWaalsContact C-N 3.27Å; D337-T339 PolarHBondContact O-N 3.42Å; D337-A340 WeakPolarHBondContact O-CB 3.45Å; D337-A340 PolarHBondContact O-N 2.99Å; D337-Q341 PolarHBondContact O-N 2.89Å; D337-Q341 VanDerWaalsContact O-N 3.13Å; D337-Y373 WeakPolarHBondContact OD1-CE2 3.44Å; D337-R378 IonicContact OD1-CZ 3.45Å; D337-R378 IonicContact OD1-NE 2.72Å; D337-R378 PolarHBondContact OD1-NE 2.98Å; D337-R378 IonicContact OD1-NH2 3.23Å; D337-R378 IonicContact OD2-CZ 3.99Å; D337-R378 IonicContact OD2-NE 2.63Å; D337-R378 IonicContact OD2-NH2 2.9Å; D337-R378 PolarHBondContact OD2-NH2 3.5Å; D337-I393 HydrophobicContact CB-CG1 4.46Å; D337-I393 HydrophobicContact CB-CG2 4.07Å
338	R	98.6	Very high	98.3	Very high	16 Å²	16	4 Å²	4	6%	0.06	2%	0.021	C	C	.	.	H	α-helix	trans	-59.3	-35.6	-178.7	-64.2	165.4	-78.4	-162.1	-5.1	113.5	T236 I268 E269 C332 S333 A340 Q341 V342	T236-R338 HydrophobicContact CG2-CB 4.31Å; T236-R338 WeakPolarHBondContact OG1-CB 3.41Å; I268-R338 HydrophobicContact CB-CG 4.22Å; I268-R338 HydrophobicContact CG2-CB 4.29Å; I268-R338 HydrophobicContact CG2-CG 3.58Å; I268-R338 WeakPolarHBondContact O-CD 3.3Å; I268-R338 PolarHBondContact O-NH1 2.92Å; E269-R338 WeakPolarHBondContact O-CD 3.45Å; C332-R338 HydrophobicContact CB-CB 4.21Å; S333-R338 PolarHBondContact OG-NH2 3.1Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 3.29Å; R338-Q341 WeakPolarHBondContact O-CB 3.33Å; R338-Q341 PolarHBondContact O-N 3.38Å; R338-V342 WeakPolarHBondContact O-CG2 3.43Å; R338-V342 PolarHBondContact O-N 3.34Å
339	T	98.8	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.9	-38.6	174.3	-56.6	0	0	0	0	111.7	R199 V330 H331 C332 G335 D337 C343	R199-T339 HydrophobicContact CB-CG2 3.85Å; V330-T339 HydrophobicContact CB-CG2 4.44Å; V330-T339 HydrophobicContact CG1-CG2 4.12Å; V330-T339 WeakPolarHBondContact O-CG2 3.26Å; H331-T339 VanDerWaalsContact C-OG1 3.31Å; H331-T339 WeakPolarHBondContact CA-OG1 3.5Å; C332-T339 PolarHBondContact N-OG1 3.46Å; C332-T339 PolarHBondContact SG-OG1 3.14Å; G335-T339 WeakPolarHBondContact CA-OG1 3.23Å; D337-T339 VanDerWaalsContact C-N 3.27Å; D337-T339 PolarHBondContact O-N 3.42Å; T339-C343 VanDerWaalsContact O-CB 3.22Å; T339-C343 WeakPolarHBondContact O-CB 3.33Å; T339-C343 PolarHBondContact O-N 2.72Å; T339-C343 PolarHBondContact O-SG 2.69Å
340	A	98.7	Very high	98	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-67.5	-43.5	175.2	0	0	0	0	0	111.1	W336 D337 R338 A344 W368	W336-A340 VanDerWaalsContact O-CB 3.28Å; W336-A340 WeakPolarHBondContact O-CB 3.27Å; D337-A340 WeakPolarHBondContact O-CB 3.45Å; D337-A340 PolarHBondContact O-N 2.99Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A340 PolarHBondContact O-N 3.29Å; A340-A344 WeakPolarHBondContact O-CB 3.4Å; A340-A344 PolarHBondContact O-N 3.28Å; A340-W368 HydrophobicContact CB-CD2 4.07Å; A340-W368 HydrophobicContact CB-CE3 3.99Å; A340-W368 HydrophobicContact CB-CH2 4.34Å; A340-W368 HydrophobicContact CB-CZ2 4.33Å; A340-W368 HydrophobicContact CB-CZ3 4.17Å
341	Q	98.8	Very high	97.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-55.1	-54.4	174.9	-67.1	175	-48.3	0	0	111.7	I311 D337 R338 L345 W368 I393 Q396 F397	I311-Q341 HydrophobicContact CG2-CB 4.09Å; D337-Q341 PolarHBondContact O-N 2.89Å; D337-Q341 VanDerWaalsContact O-N 3.13Å; R338-Q341 WeakPolarHBondContact O-CB 3.33Å; R338-Q341 PolarHBondContact O-N 3.38Å; Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 WeakPolarHBondContact O-CD1 3.32Å; Q341-L345 VanDerWaalsContact O-CG 3.32Å; Q341-L345 WeakPolarHBondContact O-CG 3.43Å; Q341-L345 PolarHBondContact O-N 3.07Å; Q341-W368 HydrophobicContact CG-CH2 3.61Å; Q341-W368 HydrophobicContact CG-CZ2 4.07Å; Q341-I393 HydrophobicContact CG-CG2 3.92Å; Q341-I393 PolarHBondContact NE2-O 3.42Å; Q341-Q396 VanDerWaalsContact NE2-OE1 3.12Å; Q341-F397 HydrophobicContact CG-CB 4.45Å
342	V	98.9	Very high	97.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.7	-46	-175.8	173	0	0	0	0	111.6	T236 I268 A314 V318 V330 R338 A344 A346	T236-V342 HydrophobicContact CG2-CB 4.32Å; T236-V342 HydrophobicContact CG2-CG2 3.78Å; I268-V342 HydrophobicContact CD1-CG2 3.69Å; A314-V342 HydrophobicContact CB-CG1 4.25Å; A314-V342 HydrophobicContact CB-CG2 3.8Å; V318-V342 HydrophobicContact CG2-CG1 3.82Å; V330-V342 HydrophobicContact CG1-CB 4.15Å; V330-V342 HydrophobicContact CG1-CG1 3.91Å; V330-V342 HydrophobicContact CG2-CG1 4.32Å; R338-V342 WeakPolarHBondContact O-CG2 3.43Å; R338-V342 PolarHBondContact O-N 3.34Å; V342-A344 PolarHBondContact O-N 3.5Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 3.44Å
343	C	98.9	Very high	97.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62.7	-42.9	179.1	-72.1	0	0	0	0	112.3	T187 L197 T339 Q347 D367	T187-C343 HydrophobicContact CG2-CB 4.29Å; L197-C343 HydrophobicContact CD2-CB 4.42Å; T339-C343 VanDerWaalsContact O-CB 3.22Å; T339-C343 WeakPolarHBondContact O-CB 3.33Å; T339-C343 PolarHBondContact O-N 2.72Å; T339-C343 PolarHBondContact O-SG 2.69Å; C343-Q347 WeakPolarHBondContact O-CB 3.45Å; C343-Q347 WeakPolarHBondContact O-CG 3.3Å; C343-Q347 PolarHBondContact O-N 3.27Å; C343-Q347 PolarHBondContact O-NE2 3.19Å; C343-D367 WeakPolarHBondContact CB-OD2 3.23Å
344	A	98.8	Very high	97.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-68.2	-47	-179.9	0	0	0	0	0	111.3	A340 V342 Q347 I348 L363 D367 F397	A340-A344 WeakPolarHBondContact O-CB 3.4Å; A340-A344 PolarHBondContact O-N 3.28Å; V342-A344 PolarHBondContact O-N 3.5Å; A344-Q347 WeakPolarHBondContact O-CB 3.3Å; A344-Q347 PolarHBondContact O-N 2.95Å; A344-I348 WeakPolarHBondContact O-CG1 3.38Å; A344-I348 PolarHBondContact O-N 3.31Å; A344-L363 HydrophobicContact CB-CD1 4.42Å; A344-L363 HydrophobicContact CB-CD2 4.01Å; A344-L363 HydrophobicContact CB-CG 4.19Å; A344-D367 HydrophobicContact CB-CB 4.14Å; A344-D367 PolarHBondContact N-OD2 3Å; A344-F397 HydrophobicContact CB-CD2 4.34Å; A344-F397 HydrophobicContact CB-CE2 3.72Å; A344-F397 HydrophobicContact CB-CZ 4.33Å
345	L	98.9	Very high	97.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-67.8	-37.3	180	-71.6	164.2	0	0	0	112.4	I311 L312 A315 Q341 Q347 I348 I349 F397 C400 L404	I311-L345 HydrophobicContact CG2-CD1 3.4Å; I311-L345 VanDerWaalsContact CG2-CD1 3.4Å; L312-L345 HydrophobicContact CD2-CD1 4.17Å; L312-L345 HydrophobicContact CD2-CD2 4.18Å; A315-L345 HydrophobicContact CB-CB 3.52Å; Q341-L345 WeakPolarHBondContact O-CB 3.49Å; Q341-L345 WeakPolarHBondContact O-CD1 3.32Å; Q341-L345 VanDerWaalsContact O-CG 3.32Å; Q341-L345 WeakPolarHBondContact O-CG 3.43Å; Q341-L345 PolarHBondContact O-N 3.07Å; L345-Q347 VanDerWaalsContact C-N 3.27Å; L345-Q347 PolarHBondContact O-N 3.4Å; L345-I348 HydrophobicContact CD2-CD1 4.49Å; L345-I348 PolarHBondContact O-N 2.89Å; L345-I349 WeakPolarHBondContact O-CB 3.25Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.01Å; L345-I349 PolarHBondContact O-N 3.41Å; L345-F397 HydrophobicContact CD1-CD2 4.28Å; L345-F397 HydrophobicContact CD2-CD2 4.01Å; L345-F397 HydrophobicContact CD2-CE2 3.99Å; L345-F397 HydrophobicContact CG-CD2 3.83Å; L345-F397 HydrophobicContact CG-CE2 4.01Å; L345-C400 HydrophobicContact CD1-CB 3.65Å; L345-C400 HydrophobicContact CD2-CB 3.88Å; L345-C400 HydrophobicContact CG-CB 4.45Å; L345-L404 HydrophobicContact CD2-CD1 4.11Å
346	A	98.7	Very high	96.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.8	-40.6	175.3	0	0	0	0	0	111.2	A315 V318 A319 V342 I349 L350	A315-A346 HydrophobicContact CB-CB 4.48Å; A315-A346 WeakPolarHBondContact O-CB 3.43Å; V318-A346 HydrophobicContact CB-CB 3.92Å; V318-A346 HydrophobicContact CG1-CB 3.68Å; A319-A346 HydrophobicContact CB-CB 4.41Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 3.44Å; A346-I349 PolarHBondContact O-N 3.13Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 3.16Å; A346-L350 VanDerWaalsContact O-N 3.1Å
347	Q	98.2	Very high	96.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-65.5	-41.5	174.7	-84.2	171.5	89.7	0	0	112.7	Y188 L197 C343 A344 L345 I349 L350 D351 Y354 L363 D367	Y188-Q347 HydrophobicContact CD1-CG 4.36Å; Y188-Q347 HydrophobicContact CD2-CG 3.84Å; Y188-Q347 HydrophobicContact CG-CG 3.75Å; L197-Q347 HydrophobicContact CD2-CG 4.33Å; C343-Q347 WeakPolarHBondContact O-CB 3.45Å; C343-Q347 WeakPolarHBondContact O-CG 3.3Å; C343-Q347 PolarHBondContact O-N 3.27Å; C343-Q347 PolarHBondContact O-NE2 3.19Å; A344-Q347 WeakPolarHBondContact O-CB 3.3Å; A344-Q347 PolarHBondContact O-N 2.95Å; L345-Q347 VanDerWaalsContact C-N 3.27Å; L345-Q347 PolarHBondContact O-N 3.4Å; Q347-I349 VanDerWaalsContact C-N 3.31Å; Q347-I349 PolarHBondContact O-N 2.94Å; Q347-L350 PolarHBondContact O-N 3.32Å; Q347-D351 WeakPolarHBondContact O-CB 3.49Å; Q347-D351 PolarHBondContact O-N 3.07Å; Q347-Y354 HydrophobicContact CB-CD2 3.64Å; Q347-Y354 HydrophobicContact CB-CE2 3.6Å; Q347-Y354 HydrophobicContact CG-CD2 4.39Å; Q347-Y354 HydrophobicContact CG-CE2 3.85Å; Q347-Y354 VanDerWaalsContact OE1-CE2 3.26Å; Q347-Y354 VanDerWaalsContact OE1-CZ 3.3Å; Q347-Y354 PolarHBondContact OE1-OH 2.82Å; Q347-L363 HydrophobicContact CB-CD1 4.05Å; Q347-D367 PolarHBondContact NE2-OD2 2.97Å
348	I	97.9	Very high	96.5	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63	-39.4	174.4	-68.9	172.5	0	0	0	111.6	A344 L345 L350 R355 L363 F397 L401 L404 F412	A344-I348 WeakPolarHBondContact O-CG1 3.38Å; A344-I348 PolarHBondContact O-N 3.31Å; L345-I348 HydrophobicContact CD2-CD1 4.49Å; L345-I348 PolarHBondContact O-N 2.89Å; I348-L350 VanDerWaalsContact C-N 3.31Å; I348-L350 PolarHBondContact O-N 3.37Å; I348-R355 HydrophobicContact CG2-CG 4.07Å; I348-L363 HydrophobicContact CD1-CD2 3.53Å; I348-L363 HydrophobicContact CG1-CD2 3.4Å; I348-L363 VanDerWaalsContact CG1-CD2 3.4Å; I348-F397 HydrophobicContact CD1-CE2 3.99Å; I348-F397 HydrophobicContact CD1-CZ 4.01Å; I348-L401 HydrophobicContact CD1-CD1 3.72Å; I348-L401 HydrophobicContact CD1-CD2 4.21Å; I348-L401 HydrophobicContact CG2-CD1 3.94Å; I348-L404 HydrophobicContact CG2-CD1 4.06Å; I348-F412 HydrophobicContact CG2-CE1 3.63Å; I348-F412 HydrophobicContact CG2-CZ 3.95Å
349	I	97.6	Very high	96.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-65.1	-35.6	178.6	-72.6	165.8	0	0	0	111	A315 H316 A319 L345 A346 Q347 L404 I523 L524 I528	A315-I349 HydrophobicContact CB-CD1 3.93Å; H316-I349 HydrophobicContact CB-CD1 4.24Å; A319-I349 HydrophobicContact CB-CB 4.08Å; A319-I349 HydrophobicContact CB-CG2 3.57Å; L345-I349 WeakPolarHBondContact O-CB 3.25Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.01Å; L345-I349 PolarHBondContact O-N 3.41Å; A346-I349 PolarHBondContact O-N 3.13Å; Q347-I349 VanDerWaalsContact C-N 3.31Å; Q347-I349 PolarHBondContact O-N 2.94Å; I349-L404 HydrophobicContact CG1-CD1 4.08Å; I349-I523 HydrophobicContact CG2-CG1 3.93Å; I349-I523 CarbonylContact O-C 3.56Å; I349-I523 VanDerWaalsContact O-CA 3.25Å; I349-I523 WeakPolarHBondContact O-CA 3.46Å; I349-L524 HydrophobicContact CG1-CD1 4.26Å; I349-L524 HydrophobicContact CG2-CB 4.2Å; I349-L524 PolarHBondContact O-N 2.88Å; I349-I528 HydrophobicContact CD1-CD1 4.08Å; I349-I528 HydrophobicContact CG1-CD1 4.14Å
350	L	94.5	Very high	96.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-92.1	-48.7	-175.2	-99.3	155.1	0	0	0	114.9	Y188 A319 L322 D323 A346 Q347 I348 A521 D522	Y188-L350 HydrophobicContact CE1-CD1 4.44Å; A319-L350 HydrophobicContact CB-CD1 3.66Å; A319-L350 HydrophobicContact CB-CG 3.85Å; A319-L350 WeakPolarHBondContact O-CD1 3.07Å; L322-L350 HydrophobicContact CB-CD1 3.96Å; L322-L350 HydrophobicContact CD1-CD1 3.71Å; L322-L350 HydrophobicContact CG-CD1 4.49Å; D323-L350 HydrophobicContact CB-CD2 4.14Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 3.16Å; A346-L350 VanDerWaalsContact O-N 3.1Å; Q347-L350 PolarHBondContact O-N 3.32Å; I348-L350 VanDerWaalsContact C-N 3.31Å; I348-L350 PolarHBondContact O-N 3.37Å; L350-A521 HydrophobicContact CD2-CB 4.21Å; L350-D522 CarbonylContact O-C 3.47Å; L350-D522 PolarHBondContact O-N 2.99Å
351	D	93.3	Very high	96	Very high	3 Å²	3	4.8 Å²	4.8	2%	0.016	2%	0.024	C	C	.	.			trans	-105	112	-163.4	-177.2	-10.7	0	0	0	110	R133 Y188 Q347 Y353 Y354	R133-D351 IonicContact CZ-OD2 2.79Å; R133-D351 VanDerWaalsContact CZ-OD2 3.27Å; R133-D351 IonicContact NH1-OD1 3.54Å; R133-D351 IonicContact NH1-OD2 3.08Å; R133-D351 PolarHBondContact NH1-OD2 3.16Å; R133-D351 IonicContact NH2-OD2 3.54Å; R133-D351 PolarHBondContact NH2-OD2 2.99Å; Y188-D351 HydrophobicContact CE2-CB 4.02Å; Q347-D351 WeakPolarHBondContact O-CB 3.49Å; Q347-D351 PolarHBondContact O-N 3.07Å; D351-Y353 PolarHBondContact O-N 3.15Å; D351-Y353 VanDerWaalsContact O-N 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.25Å; D351-Y353 PolarHBondContact OD1-N 2.82Å; D351-Y354 HydrophobicContact CB-CD2 3.77Å; D351-Y354 HydrophobicContact CB-CE2 4.16Å; D351-Y354 PolarHBondContact O-N 3.02Å; D351-Y354 VanDerWaalsContact O-N 3.16Å
352	P	92	Very high	95.9	Very high	20 Å²	20	5 Å²	5	13%	0.13	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.3	178.5	19.5	-28.5	0	0	0	113.9	Y354 R355 V507 A520	P352-Y354 VanDerWaalsContact C-N 3.27Å; P352-Y354 PolarHBondContact O-N 3.47Å; P352-R355 VanDerWaalsContact CA-NH2 3.31Å; P352-R355 WeakPolarHBondContact O-CB 3.38Å; P352-R355 PolarHBondContact O-N 3.39Å; P352-V507 HydrophobicContact CG-CG1 4.27Å; P352-A520 WeakPolarHBondContact CD-O 3.4Å; P352-A520 WeakPolarHBondContact CG-O 3.45Å
353	Y	92.4	Very high	95.8	Very high	26 Å²	26	5 Å²	5	10%	0.102	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-54.4	-45.9	176.3	172.6	-107.6	0	0	0	111.2	R133 D351 R355 T356 G359 A362 V507	R133-Y353 VanDerWaalsContact NH2-CD1 3.3Å; D351-Y353 PolarHBondContact O-N 3.15Å; D351-Y353 VanDerWaalsContact O-N 3.15Å; D351-Y353 WeakPolarHBondContact OD1-CB 3.25Å; D351-Y353 PolarHBondContact OD1-N 2.82Å; Y353-R355 PolarHBondContact O-N 3.46Å; Y353-R355 VanDerWaalsContact O-N 3.15Å; Y353-T356 WeakPolarHBondContact O-CB 3.27Å; Y353-T356 WeakPolarHBondContact O-CG2 3.18Å; Y353-T356 PolarHBondContact O-N 3.36Å; Y353-T356 PolarHBondContact O-OG1 2.89Å; Y353-G359 WeakPolarHBondContact O-CA 3.32Å; Y353-A362 HydrophobicContact CE1-CB 3.96Å; Y353-A362 WeakPolarHBondContact OH-CB 3.44Å; Y353-V507 HydrophobicContact CD2-CG2 4.08Å
354	Y	95.3	Very high	95.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-72.9	-7.1	-177.2	-61.8	-53.1	0	0	0	114.7	Q130 F134 Y188 Q347 D351 P352 G359 L363 K366	Q130-Y354 PolarHBondContact NE2-OH 3.09Å; F134-Y354 VanDerWaalsContact CZ-OH 3.28Å; F134-Y354 WeakPolarHBondContact CZ-OH 3.25Å; Y188-Y354 HydrophobicContact CD2-CE2 4.27Å; Y188-Y354 HydrophobicContact CE2-CE2 4.41Å; Q347-Y354 HydrophobicContact CB-CD2 3.64Å; Q347-Y354 HydrophobicContact CB-CE2 3.6Å; Q347-Y354 HydrophobicContact CG-CD2 4.39Å; Q347-Y354 HydrophobicContact CG-CE2 3.85Å; Q347-Y354 VanDerWaalsContact OE1-CE2 3.26Å; Q347-Y354 VanDerWaalsContact OE1-CZ 3.3Å; Q347-Y354 PolarHBondContact OE1-OH 2.82Å; D351-Y354 HydrophobicContact CB-CD2 3.77Å; D351-Y354 HydrophobicContact CB-CE2 4.16Å; D351-Y354 PolarHBondContact O-N 3.02Å; D351-Y354 VanDerWaalsContact O-N 3.16Å; P352-Y354 VanDerWaalsContact C-N 3.27Å; P352-Y354 PolarHBondContact O-N 3.47Å; Y354-G359 WeakPolarHBondContact CD1-O 3.5Å; Y354-L363 HydrophobicContact CD1-CB 3.65Å; Y354-L363 HydrophobicContact CD1-CD1 3.93Å; Y354-L363 HydrophobicContact CD1-CG 4.25Å; Y354-L363 HydrophobicContact CD2-CD1 4.19Å; Y354-L363 HydrophobicContact CE1-CB 3.92Å; Y354-L363 HydrophobicContact CE1-CD1 3.78Å; Y354-L363 HydrophobicContact CE1-CG 4.44Å; Y354-L363 HydrophobicContact CE2-CD1 4.08Å; Y354-L363 HydrophobicContact CG-CB 4.29Å; Y354-L363 HydrophobicContact CG-CD1 4.09Å; Y354-L363 HydrophobicContact CG-CD2 4.39Å; Y354-L363 HydrophobicContact CG-CG 4.5Å; Y354-K366 WeakPolarHBondContact OH-CE 3.08Å; Y354-K366 PolarHBondContact OH-NZ 2.9Å
355	R	94.9	Very high	95.8	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.015	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-90.9	-5.3	170.9	-60.8	-179	-89	153.8	-2.1	112.5	I348 P352 Y353 K411 F412 E413 Y414 D522	I348-R355 HydrophobicContact CG2-CG 4.07Å; P352-R355 VanDerWaalsContact CA-NH2 3.31Å; P352-R355 WeakPolarHBondContact O-CB 3.38Å; P352-R355 PolarHBondContact O-N 3.39Å; Y353-R355 PolarHBondContact O-N 3.46Å; Y353-R355 VanDerWaalsContact O-N 3.15Å; R355-K411 VanDerWaalsContact CB-O 3.25Å; R355-K411 WeakPolarHBondContact CB-O 3.38Å; R355-K411 WeakPolarHBondContact CD-O 3.45Å; R355-F412 HydrophobicContact CB-CD1 3.86Å; R355-F412 HydrophobicContact CB-CE1 4.15Å; R355-F412 HydrophobicContact CB-CG 4.43Å; R355-F412 HydrophobicContact CG-CD1 3.84Å; R355-F412 HydrophobicContact CG-CE1 3.59Å; R355-F412 HydrophobicContact CG-CZ 4.1Å; R355-E413 PolarHBondContact O-N 2.85Å; R355-Y414 WeakPolarHBondContact O-CE1 3.44Å; R355-D522 IonicContact CZ-OD2 3.77Å; R355-D522 VanDerWaalsContact CZ-OD2 3.31Å; R355-D522 IonicContact NH1-OD2 2.73Å; R355-D522 PolarHBondContact NH1-OD2 2.92Å; R355-D522 VanDerWaalsContact NH2-CB 3.31Å; R355-D522 PolarHBondContact NH2-O 3.43Å; R355-D522 IonicContact NH2-OD2 3.67Å; R355-D522 PolarHBondContact NH2-OD2 3.46Å
356	T	93.5	Very high	95.7	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	3%	0.029	C	C	.	.	S	Bend	trans	-80	159.7	168.6	72.7	0	0	0	0	111.2	Y353 G359 L360 E413	Y353-T356 WeakPolarHBondContact O-CB 3.27Å; Y353-T356 WeakPolarHBondContact O-CG2 3.18Å; Y353-T356 PolarHBondContact O-N 3.36Å; Y353-T356 PolarHBondContact O-OG1 2.89Å; T356-G359 PolarHBondContact O-N 3.06Å; T356-G359 WeakPolarHBondContact OG1-CA 3.08Å; T356-G359 PolarHBondContact OG1-N 3.3Å; T356-L360 PolarHBondContact O-N 3.4Å; T356-E413 WeakPolarHBondContact CA-OE2 3.35Å; T356-E413 WeakPolarHBondContact CB-OE2 3.3Å
357	F	93.8	Very high	95.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59	-46.4	177.7	178.5	-105.4	0	0	0	112.1	Q361 E413 L418 L458 N459 R462 W465 I466	F357-Q361 WeakPolarHBondContact O-CG 3.35Å; F357-E413 HydrophobicContact CB-CG 4.43Å; F357-E413 WeakPolarHBondContact CB-OE2 3.45Å; F357-E413 PolarHBondContact N-OE2 2.73Å; F357-L418 HydrophobicContact CD2-CD2 3.83Å; F357-L418 HydrophobicContact CE2-CD1 4.26Å; F357-L418 HydrophobicContact CE2-CD2 3.86Å; F357-L458 HydrophobicContact CZ-CB 3.92Å; F357-L458 WeakPolarHBondContact CZ-O 3.2Å; F357-N459 VanDerWaalsContact CE1-OD1 3.27Å; F357-N459 WeakPolarHBondContact CE1-OD1 3.43Å; F357-R462 HydrophobicContact CD1-CG 4.21Å; F357-R462 HydrophobicContact CE1-CG 4.03Å; F357-R462 HydrophobicContact CZ-CG 4.46Å; F357-W465 HydrophobicContact CD2-CB 4.1Å; F357-W465 HydrophobicContact CE2-CB 3.55Å; F357-W465 AromaticContact CE2-CD1 3.74Å; F357-W465 AromaticContact CE2-CG 3.89Å; F357-W465 HydrophobicContact CE2-CG 3.89Å; F357-W465 HydrophobicContact CZ-CB 4.39Å; F357-W465 AromaticContact CZ-CD1 3.79Å; F357-W465 HydrophobicContact CZ-CG 4.39Å; F357-I466 HydrophobicContact CB-CD1 4.03Å; F357-I466 HydrophobicContact CD2-CD1 4.31Å; F357-I466 HydrophobicContact CG-CD1 4.16Å
358	L	93.2	Very high	95.7	Very high	37 Å²	37	5.7 Å²	5.7	19%	0.194	3%	0.029	C	C	.	.	H	α-helix	trans	-73.4	-36.9	176.5	-63.7	-170.5	0	0	0	111.9	L360 Q361 A362 T504	L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 2.9Å; L358-Q361 WeakPolarHBondContact O-CB 3.47Å; L358-Q361 PolarHBondContact O-N 3.22Å; L358-Q361 VanDerWaalsContact O-N 3.16Å; L358-A362 PolarHBondContact O-N 2.74Å; L358-T504 HydrophobicContact CB-CG2 3.89Å; L358-T504 HydrophobicContact CD1-CG2 3.47Å; L358-T504 VanDerWaalsContact CD1-CG2 3.47Å; L358-T504 HydrophobicContact CG-CG2 3.64Å
359	G	93.6	Very high	95.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.3	-36.8	178.5	0	0	0	0	0	112.9	Y353 Y354 T356 Q361 A362 L363	Y353-G359 WeakPolarHBondContact O-CA 3.32Å; Y354-G359 WeakPolarHBondContact CD1-O 3.5Å; T356-G359 PolarHBondContact O-N 3.06Å; T356-G359 WeakPolarHBondContact OG1-CA 3.08Å; T356-G359 PolarHBondContact OG1-N 3.3Å; G359-Q361 VanDerWaalsContact C-N 3.34Å; G359-Q361 PolarHBondContact O-N 3.47Å; G359-A362 PolarHBondContact O-N 3.23Å; G359-L363 WeakPolarHBondContact O-CB 3.27Å; G359-L363 PolarHBondContact O-N 3.46Å
360	L	97.1	Very high	95.7	Very high	2 Å²	2	7 Å²	7	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-60.5	-43.7	172.9	-179.6	62.3	0	0	0	111.9	T356 L358 L363 I364 L401 Y414 L418 L419 L422	T356-L360 PolarHBondContact O-N 3.4Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 2.9Å; L360-L363 PolarHBondContact O-N 3.46Å; L360-I364 HydrophobicContact CD1-CD1 4.02Å; L360-I364 HydrophobicContact CD1-CG1 4.35Å; L360-I364 HydrophobicContact CG-CD1 3.96Å; L360-I364 WeakPolarHBondContact O-CG1 3.29Å; L360-I364 PolarHBondContact O-N 3.42Å; L360-L401 HydrophobicContact CD1-CD2 3.6Å; L360-L401 HydrophobicContact CD2-CD2 4.24Å; L360-Y414 HydrophobicContact CB-CD1 4.05Å; L360-Y414 HydrophobicContact CB-CE1 3.61Å; L360-Y414 HydrophobicContact CD2-CD1 3.96Å; L360-Y414 HydrophobicContact CD2-CD2 4.06Å; L360-Y414 HydrophobicContact CD2-CE1 3.78Å; L360-Y414 HydrophobicContact CD2-CE2 3.89Å; L360-Y414 HydrophobicContact CD2-CG 4.09Å; L360-Y414 HydrophobicContact CG-CE1 4.16Å; L360-L418 HydrophobicContact CD2-CD2 3.94Å; L360-L419 HydrophobicContact CD2-CD2 4.07Å; L360-L422 HydrophobicContact CD2-CD1 4.13Å
361	Q	96.6	Very high	95.9	Very high	8 Å²	8	7 Å²	7	4%	0.037	4%	0.035	C	C	.	.	H	α-helix	trans	-61.1	-47.3	176.5	-57.2	178	24.8	0	0	110.7	F357 L358 G359 L363 I364 E365 W455 N459	F357-Q361 WeakPolarHBondContact O-CG 3.35Å; L358-Q361 WeakPolarHBondContact O-CB 3.47Å; L358-Q361 PolarHBondContact O-N 3.22Å; L358-Q361 VanDerWaalsContact O-N 3.16Å; G359-Q361 VanDerWaalsContact C-N 3.34Å; G359-Q361 PolarHBondContact O-N 3.47Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 3.43Å; Q361-I364 PolarHBondContact O-N 2.99Å; Q361-E365 PolarHBondContact O-N 3.22Å; Q361-W455 HydrophobicContact CB-CD2 4.07Å; Q361-W455 HydrophobicContact CB-CE3 3.85Å; Q361-W455 HydrophobicContact CB-CH2 4.45Å; Q361-W455 HydrophobicContact CB-CZ3 4.07Å; Q361-W455 HydrophobicContact CG-CD2 4.14Å; Q361-W455 HydrophobicContact CG-CE3 3.48Å; Q361-W455 VanDerWaalsContact CG-CE3 3.48Å; Q361-W455 HydrophobicContact CG-CZ3 3.74Å; Q361-N459 PolarHBondContact NE2-OD1 3.36Å; Q361-N459 PolarHBondContact OE1-OD1 3.37Å
362	A	95.6	Very high	96.1	Very high	3 Å²	3	6.9 Å²	6.9	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-59.7	-39.9	177.4	0	0	0	0	0	112.8	F125 Y353 L358 G359 K366	F125-A362 HydrophobicContact CD2-CB 3.43Å; F125-A362 VanDerWaalsContact CD2-CB 3.43Å; F125-A362 HydrophobicContact CE2-CB 3.59Å; F125-A362 HydrophobicContact CG-CB 4.49Å; Y353-A362 HydrophobicContact CE1-CB 3.96Å; Y353-A362 WeakPolarHBondContact OH-CB 3.44Å; L358-A362 PolarHBondContact O-N 2.74Å; G359-A362 PolarHBondContact O-N 3.23Å; A362-K366 VanDerWaalsContact O-CB 3.32Å; A362-K366 WeakPolarHBondContact O-CB 3.28Å; A362-K366 PolarHBondContact O-N 3.05Å
363	L	97.9	Very high	96.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.1	-43.4	176.6	-173.4	70.3	0	0	0	111.8	A344 Q347 I348 Y354 G359 L360 Q361 K366 D367	A344-L363 HydrophobicContact CB-CD1 4.42Å; A344-L363 HydrophobicContact CB-CD2 4.01Å; A344-L363 HydrophobicContact CB-CG 4.19Å; Q347-L363 HydrophobicContact CB-CD1 4.05Å; I348-L363 HydrophobicContact CD1-CD2 3.53Å; I348-L363 HydrophobicContact CG1-CD2 3.4Å; I348-L363 VanDerWaalsContact CG1-CD2 3.4Å; Y354-L363 HydrophobicContact CD1-CB 3.65Å; Y354-L363 HydrophobicContact CD1-CD1 3.93Å; Y354-L363 HydrophobicContact CD1-CG 4.25Å; Y354-L363 HydrophobicContact CD2-CD1 4.19Å; Y354-L363 HydrophobicContact CE1-CB 3.92Å; Y354-L363 HydrophobicContact CE1-CD1 3.78Å; Y354-L363 HydrophobicContact CE1-CG 4.44Å; Y354-L363 HydrophobicContact CE2-CD1 4.08Å; Y354-L363 HydrophobicContact CG-CB 4.29Å; Y354-L363 HydrophobicContact CG-CD1 4.09Å; Y354-L363 HydrophobicContact CG-CD2 4.39Å; Y354-L363 HydrophobicContact CG-CG 4.5Å; G359-L363 WeakPolarHBondContact O-CB 3.27Å; G359-L363 PolarHBondContact O-N 3.46Å; L360-L363 PolarHBondContact O-N 3.46Å; Q361-L363 VanDerWaalsContact C-N 3.32Å; Q361-L363 PolarHBondContact O-N 3.43Å; L363-K366 PolarHBondContact O-N 2.9Å; L363-D367 WeakPolarHBondContact O-CB 3.41Å; L363-D367 PolarHBondContact O-N 3.2Å
364	I	98.4	Very high	96.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.3	-45.8	178.4	-68.6	167.2	0	0	0	110.3	L360 Q361 K366 W368 I369 F394 F397 L422 F434 W455	L360-I364 HydrophobicContact CD1-CD1 4.02Å; L360-I364 HydrophobicContact CD1-CG1 4.35Å; L360-I364 HydrophobicContact CG-CD1 3.96Å; L360-I364 WeakPolarHBondContact O-CG1 3.29Å; L360-I364 PolarHBondContact O-N 3.42Å; Q361-I364 PolarHBondContact O-N 2.99Å; I364-K366 VanDerWaalsContact C-N 3.33Å; I364-K366 PolarHBondContact O-N 3Å; I364-W368 WeakPolarHBondContact O-CB 3.37Å; I364-W368 PolarHBondContact O-N 3.24Å; I364-I369 HydrophobicContact CG2-CD1 4.28Å; I364-I369 PolarHBondContact O-N 3.17Å; I364-F394 HydrophobicContact CD1-CZ 4.12Å; I364-F394 HydrophobicContact CG1-CZ 4.22Å; I364-F394 HydrophobicContact CG2-CE2 4.29Å; I364-F394 HydrophobicContact CG2-CZ 4.14Å; I364-F397 HydrophobicContact CG1-CE1 4.39Å; I364-L422 HydrophobicContact CD1-CD1 4.04Å; I364-F434 HydrophobicContact CG2-CE1 3.71Å; I364-F434 HydrophobicContact CG2-CZ 4.31Å; I364-W455 HydrophobicContact CB-CH2 4.18Å; I364-W455 HydrophobicContact CB-CZ2 4.37Å; I364-W455 HydrophobicContact CD1-CH2 4.24Å; I364-W455 HydrophobicContact CG2-CH2 3.94Å; I364-W455 HydrophobicContact CG2-CZ2 4.03Å
365	E	97.6	Very high	96.8	Very high	16 Å²	16	6.1 Å²	6.1	8%	0.075	3%	0.03	C	C	.	.	I	π-helix	trans	-57.1	-45.1	174.3	-83	-66.7	165.2	0	0	112.2	F125 Q361 I369 Q370 W455	F125-E365 HydrophobicContact CB-CB 4.39Å; F125-E365 HydrophobicContact CB-CG 4.32Å; F125-E365 HydrophobicContact CD1-CB 3.43Å; F125-E365 VanDerWaalsContact CD1-CB 3.43Å; F125-E365 HydrophobicContact CD1-CG 4.13Å; F125-E365 HydrophobicContact CE1-CB 3.79Å; F125-E365 HydrophobicContact CG-CB 3.9Å; F125-E365 HydrophobicContact CG-CG 4.37Å; Q361-E365 PolarHBondContact O-N 3.22Å; E365-I369 HydrophobicContact CG-CD1 4.31Å; E365-I369 WeakPolarHBondContact O-CB 3.38Å; E365-I369 WeakPolarHBondContact OE1-CD1 3.45Å; E365-Q370 WeakPolarHBondContact O-CB 3.45Å; E365-Q370 WeakPolarHBondContact O-CG 3.35Å; E365-Q370 PolarHBondContact O-N 2.87Å; E365-W455 HydrophobicContact CG-CZ2 4.13Å; E365-W455 PolarHBondContact OE1-NE1 2.84Å
366	K	97.8	Very high	96.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-70.4	-68.6	178.5	-173.3	168.4	62.4	75.8	0	112.5	F125 L127 Q130 T187 Y354 A362 L363 I364 W368 F371	F125-K366 HydrophobicContact CE1-CB 4.37Å; F125-K366 HydrophobicContact CZ-CB 3.88Å; L127-K366 HydrophobicContact CD1-CB 4.39Å; L127-K366 HydrophobicContact CD1-CD 3.6Å; L127-K366 HydrophobicContact CD1-CG 3.65Å; Q130-K366 HydrophobicContact CG-CD 3.99Å; T187-K366 PolarHBondContact O-NZ 3.2Å; T187-K366 PolarHBondContact OG1-NZ 3.33Å; Y354-K366 WeakPolarHBondContact OH-CE 3.08Å; Y354-K366 PolarHBondContact OH-NZ 2.9Å; A362-K366 VanDerWaalsContact O-CB 3.32Å; A362-K366 WeakPolarHBondContact O-CB 3.28Å; A362-K366 PolarHBondContact O-N 3.05Å; L363-K366 PolarHBondContact O-N 2.9Å; I364-K366 VanDerWaalsContact C-N 3.33Å; I364-K366 PolarHBondContact O-N 3Å; K366-W368 PolarHBondContact O-N 3.23Å; K366-F371 HydrophobicContact CG-CD2 4.3Å; K366-F371 HydrophobicContact CG-CE2 4.19Å; K366-F371 VanDerWaalsContact O-CD2 3.26Å; K366-F371 WeakPolarHBondContact O-CD2 3.44Å; K366-F371 PolarHBondContact O-N 3.14Å
367	D	98.5	Very high	96.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-79	-20.2	-161.3	-86.5	31.6	0	0	0	114.1	T187 R199 C343 A344 Q347 L363	T187-D367 PolarHBondContact OG1-OD1 3.19Å; T187-D367 VanDerWaalsContact OG1-OD1 3.07Å; R199-D367 PolarHBondContact NH1-O 2.63Å; R199-D367 IonicContact NH1-OD1 3.31Å; R199-D367 IonicContact NH1-OD2 3.71Å; R199-D367 PolarHBondContact NH2-O 3.41Å; C343-D367 WeakPolarHBondContact CB-OD2 3.23Å; A344-D367 HydrophobicContact CB-CB 4.14Å; A344-D367 PolarHBondContact N-OD2 3Å; Q347-D367 PolarHBondContact NE2-OD2 2.97Å; L363-D367 WeakPolarHBondContact O-CB 3.41Å; L363-D367 PolarHBondContact O-N 3.2Å
368	W	98.6	Very high	97	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-109	-57.6	-179.4	-64.2	85.5	0	0	0	111.7	A340 Q341 I364 K366 G372 Y373 F375 I393 F394 F397	A340-W368 HydrophobicContact CB-CD2 4.07Å; A340-W368 HydrophobicContact CB-CE3 3.99Å; A340-W368 HydrophobicContact CB-CH2 4.34Å; A340-W368 HydrophobicContact CB-CZ2 4.33Å; A340-W368 HydrophobicContact CB-CZ3 4.17Å; Q341-W368 HydrophobicContact CG-CH2 3.61Å; Q341-W368 HydrophobicContact CG-CZ2 4.07Å; I364-W368 WeakPolarHBondContact O-CB 3.37Å; I364-W368 PolarHBondContact O-N 3.24Å; K366-W368 PolarHBondContact O-N 3.23Å; W368-G372 PolarHBondContact O-N 3.44Å; W368-Y373 AromaticContact CE3-CD1 3.7Å; W368-Y373 HydrophobicContact CE3-CD1 3.7Å; W368-Y373 AromaticContact CE3-CD2 3.82Å; W368-Y373 HydrophobicContact CE3-CD2 3.82Å; W368-Y373 HydrophobicContact CE3-CE1 4.16Å; W368-Y373 HydrophobicContact CE3-CE2 4.27Å; W368-Y373 AromaticContact CE3-CG 3.5Å; W368-Y373 HydrophobicContact CE3-CG 3.5Å; W368-Y373 HydrophobicContact CZ3-CD1 4.14Å; W368-Y373 AromaticContact CZ3-CD2 3.76Å; W368-Y373 HydrophobicContact CZ3-CD2 3.76Å; W368-Y373 HydrophobicContact CZ3-CE1 4.18Å; W368-Y373 AromaticContact CZ3-CE2 3.82Å; W368-Y373 HydrophobicContact CZ3-CE2 3.82Å; W368-Y373 AromaticContact CZ3-CG 3.92Å; W368-Y373 HydrophobicContact CZ3-CG 3.92Å; W368-Y373 WeakPolarHBondContact O-CB 3.43Å; W368-Y373 PolarHBondContact O-N 3.39Å; W368-F375 HydrophobicContact CB-CE2 4.01Å; W368-F375 HydrophobicContact CB-CZ 3.98Å; W368-I393 HydrophobicContact CH2-CG2 4.23Å; W368-I393 HydrophobicContact CZ3-CG2 4.18Å; W368-F394 HydrophobicContact CB-CE2 4.29Å; W368-F394 AromaticContact CD2-CD2 3.53Å; W368-F394 HydrophobicContact CD2-CD2 3.53Å; W368-F394 AromaticContact CD2-CE2 3.63Å; W368-F394 HydrophobicContact CD2-CE2 3.63Å; W368-F394 AromaticContact CE2-CD2 3.9Å; W368-F394 AromaticContact CE2-CE2 3.91Å; W368-F394 AromaticContact CE3-CD2 3.44Å; W368-F394 HydrophobicContact CE3-CD2 3.44Å; W368-F394 VanDerWaalsContact CE3-CD2 3.44Å; W368-F394 HydrophobicContact CE3-CE2 4.03Å; W368-F394 HydrophobicContact CG-CD2 4.12Å; W368-F394 AromaticContact CG-CE2 3.75Å; W368-F394 HydrophobicContact CG-CE2 3.75Å; W368-F394 HydrophobicContact CH2-CD2 4Å; W368-F394 HydrophobicContact CZ2-CD2 4.16Å; W368-F394 HydrophobicContact CZ3-CB 4.22Å; W368-F394 AromaticContact CZ3-CD2 3.66Å; W368-F394 HydrophobicContact CZ3-CD2 3.66Å; W368-F394 HydrophobicContact CZ3-CG 4.42Å; W368-F397 AromaticContact CE2-CG 3.92Å; W368-F397 HydrophobicContact CH2-CB 3.65Å; W368-F397 HydrophobicContact CH2-CG 4.14Å; W368-F397 HydrophobicContact CZ2-CB 3.34Å; W368-F397 AromaticContact CZ2-CD1 3.82Å; W368-F397 HydrophobicContact CZ2-CD1 3.82Å; W368-F397 AromaticContact CZ2-CD2 3.68Å; W368-F397 HydrophobicContact CZ2-CD2 3.68Å; W368-F397 HydrophobicContact CZ2-CE2 4.44Å; W368-F397 AromaticContact CZ2-CG 3.31Å; W368-F397 HydrophobicContact CZ2-CG 3.31Å; W368-F397 AromaticContact NE1-CE1 3.92Å; W368-F397 AromaticContact NE1-CZ 3.94Å
369	I	98	Very high	97.1	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	4%	0.037	C	C	.	.	I	π-helix	trans	-72.3	-62.6	-173.4	-64.9	170.2	0	0	0	110.6	I364 E365 F371 G372 F375 T433 F434 W455	I364-I369 HydrophobicContact CG2-CD1 4.28Å; I364-I369 PolarHBondContact O-N 3.17Å; E365-I369 HydrophobicContact CG-CD1 4.31Å; E365-I369 WeakPolarHBondContact O-CB 3.38Å; E365-I369 WeakPolarHBondContact OE1-CD1 3.45Å; I369-F371 PolarHBondContact O-N 3.43Å; I369-G372 PolarHBondContact O-N 3.5Å; I369-G372 VanDerWaalsContact O-N 3.09Å; I369-F375 HydrophobicContact CG1-CD2 4.45Å; I369-F375 HydrophobicContact CG1-CE2 3.73Å; I369-T433 HydrophobicContact CD1-CG2 3.87Å; I369-T433 VanDerWaalsContact CD1-O 3.25Å; I369-T433 WeakPolarHBondContact CD1-O 3.33Å; I369-F434 HydrophobicContact CD1-CD1 4.34Å; I369-F434 HydrophobicContact CD1-CE1 4.31Å; I369-W455 HydrophobicContact CD1-CZ2 4.39Å
370	Q	97.1	Very high	97.2	Very high	23 Å²	23	8.5 Å²	8.5	11%	0.107	5%	0.046	C	C	.	.	I	π-helix	trans	-69.6	-34.6	-172.9	-76.1	-170.7	44.3	0	0	113.1	P157 E365 G372	P157-Q370 HydrophobicContact CB-CB 4.12Å; P157-Q370 VanDerWaalsContact CD-O 3.28Å; P157-Q370 WeakPolarHBondContact CD-O 3.38Å; E365-Q370 WeakPolarHBondContact O-CB 3.45Å; E365-Q370 WeakPolarHBondContact O-CG 3.35Å; E365-Q370 PolarHBondContact O-N 2.87Å; Q370-G372 PolarHBondContact O-N 3.1Å
371	F	98.3	Very high	97	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	7.5	173.1	-86.8	-69.9	0	0	0	114.9	T155 Y156 P157 L160 R182 V185 R199 K366 I369	T155-F371 CarbonylContact O-C 3.54Å; Y156-F371 AromaticContact CD1-CD1 3.9Å; Y156-F371 HydrophobicContact CD1-CD1 3.9Å; Y156-F371 HydrophobicContact CD1-CE1 4.3Å; Y156-F371 AromaticContact CE1-CD1 3.92Å; Y156-F371 HydrophobicContact CE1-CD1 3.92Å; Y156-F371 HydrophobicContact CE1-CE1 4.23Å; P157-F371 HydrophobicContact CG-CD1 4.41Å; P157-F371 HydrophobicContact CG-CE1 4.23Å; P157-F371 HydrophobicContact CG-CZ 4.32Å; L160-F371 HydrophobicContact CD2-CE1 4.24Å; R182-F371 PolarHBondContact NH1-O 2.75Å; R182-F371 VanDerWaalsContact NH1-O 3.17Å; R182-F371 PolarHBondContact NH2-O 3.38Å; V185-F371 HydrophobicContact CG2-CE1 3.69Å; V185-F371 HydrophobicContact CG2-CZ 4.17Å; R199-F371 HydrophobicContact CG-CD1 4.33Å; R199-F371 HydrophobicContact CG-CE1 4.07Å; R199-F371 HydrophobicContact CG-CZ 4.41Å; R199-F371 VanDerWaalsContact CZ-CB 3.46Å; K366-F371 HydrophobicContact CG-CD2 4.3Å; K366-F371 HydrophobicContact CG-CE2 4.19Å; K366-F371 VanDerWaalsContact O-CD2 3.26Å; K366-F371 WeakPolarHBondContact O-CD2 3.44Å; K366-F371 PolarHBondContact O-N 3.14Å; I369-F371 PolarHBondContact O-N 3.43Å
372	G	98.1	Very high	96.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	40.8	163.5	0	0	0	0	0	115.4	W336 W368 I369 Q370 C437	W336-G372 WeakPolarHBondContact CB-O 3.49Å; W368-G372 PolarHBondContact O-N 3.44Å; I369-G372 PolarHBondContact O-N 3.5Å; I369-G372 VanDerWaalsContact O-N 3.09Å; Q370-G372 PolarHBondContact O-N 3.1Å; G372-C437 CarbonylContact C-O 3.48Å
373	Y	98.4	Very high	96.4	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.012	8%	0.075	C	C	.	.			trans	-66.5	134.4	161.8	177.3	-108.1	0	0	0	109.8	W336 D337 W368 F375 R378 I393 F394	W336-Y373 WeakPolarHBondContact O-CD2 3.44Å; D337-Y373 WeakPolarHBondContact OD1-CE2 3.44Å; W368-Y373 AromaticContact CE3-CD1 3.7Å; W368-Y373 HydrophobicContact CE3-CD1 3.7Å; W368-Y373 AromaticContact CE3-CD2 3.82Å; W368-Y373 HydrophobicContact CE3-CD2 3.82Å; W368-Y373 HydrophobicContact CE3-CE1 4.16Å; W368-Y373 HydrophobicContact CE3-CE2 4.27Å; W368-Y373 AromaticContact CE3-CG 3.5Å; W368-Y373 HydrophobicContact CE3-CG 3.5Å; W368-Y373 HydrophobicContact CZ3-CD1 4.14Å; W368-Y373 AromaticContact CZ3-CD2 3.76Å; W368-Y373 HydrophobicContact CZ3-CD2 3.76Å; W368-Y373 HydrophobicContact CZ3-CE1 4.18Å; W368-Y373 AromaticContact CZ3-CE2 3.82Å; W368-Y373 HydrophobicContact CZ3-CE2 3.82Å; W368-Y373 AromaticContact CZ3-CG 3.92Å; W368-Y373 HydrophobicContact CZ3-CG 3.92Å; W368-Y373 WeakPolarHBondContact O-CB 3.43Å; W368-Y373 PolarHBondContact O-N 3.39Å; Y373-F375 VanDerWaalsContact C-N 3.28Å; Y373-F375 HydrophobicContact CD1-CB 4.47Å; Y373-F375 AromaticContact CD1-CD1 3.71Å; Y373-F375 HydrophobicContact CD1-CD1 3.71Å; Y373-F375 AromaticContact CD1-CD2 3.64Å; Y373-F375 HydrophobicContact CD1-CD2 3.64Å; Y373-F375 AromaticContact CD1-CE1 3.72Å; Y373-F375 HydrophobicContact CD1-CE1 3.72Å; Y373-F375 AromaticContact CD1-CE2 3.65Å; Y373-F375 HydrophobicContact CD1-CE2 3.65Å; Y373-F375 AromaticContact CD1-CG 3.66Å; Y373-F375 HydrophobicContact CD1-CG 3.66Å; Y373-F375 AromaticContact CD1-CZ 3.68Å; Y373-F375 HydrophobicContact CD1-CZ 3.68Å; Y373-F375 AromaticContact CE1-CD1 3.62Å; Y373-F375 HydrophobicContact CE1-CD1 3.62Å; Y373-F375 HydrophobicContact CE1-CD2 4.38Å; Y373-F375 AromaticContact CE1-CE1 3.74Å; Y373-F375 HydrophobicContact CE1-CE1 3.74Å; Y373-F375 HydrophobicContact CE1-CE2 4.47Å; Y373-F375 AromaticContact CE1-CG 3.95Å; Y373-F375 HydrophobicContact CE1-CG 3.95Å; Y373-F375 HydrophobicContact CE1-CZ 4.17Å; Y373-F375 PolarHBondContact O-N 2.83Å; Y373-R378 HydrophobicContact CE1-CB 4.34Å; Y373-R378 HydrophobicContact CE1-CG 4.47Å; Y373-R378 HydrophobicContact CE2-CB 4.44Å; Y373-R378 HydrophobicContact CE2-CG 3.85Å; Y373-R378 VanDerWaalsContact OH-CB 3.28Å; Y373-R378 WeakPolarHBondContact OH-CB 3.15Å; Y373-I393 HydrophobicContact CE2-CB 3.89Å; Y373-I393 HydrophobicContact CE2-CG2 3.88Å; Y373-I393 WeakPolarHBondContact OH-CB 3.38Å; Y373-F394 HydrophobicContact CE1-CB 4.04Å; Y373-F394 PolarHBondContact OH-N 3.44Å
374	K	97.5	Very high	95.5	Very high	26 Å²	26	16.1 Å²	16.1	11%	0.113	11%	0.11	C	C	.	.			trans	-82.5	61.2	-170.1	-62.1	-179.2	143.8	-131.9	0	112.8	W336 T376 E377 R378 C437	W336-K374 HydrophobicContact CD2-CD 4.48Å; W336-K374 HydrophobicContact CH2-CD 4.21Å; W336-K374 VanDerWaalsContact CH2-CE 3.45Å; W336-K374 HydrophobicContact CZ2-CD 3.8Å; K374-T376 PolarHBondContact O-N 3.37Å; K374-E377 HydrophobicContact CB-CB 4.21Å; K374-E377 WeakPolarHBondContact CD-OE2 3.37Å; K374-E377 IonicContact NZ-OE1 3.74Å; K374-E377 PolarHBondContact NZ-OE1 3.49Å; K374-E377 IonicContact NZ-OE2 3.41Å; K374-E377 PolarHBondContact NZ-OE2 3.16Å; K374-E377 PolarHBondContact O-N 2.82Å; K374-R378 HydrophobicContact CB-CG 4.19Å; K374-R378 WeakPolarHBondContact O-CB 3.38Å; K374-R378 VanDerWaalsContact O-CG 3.28Å; K374-R378 WeakPolarHBondContact O-CG 3.22Å; K374-R378 PolarHBondContact O-N 3.12Å; K374-C437 HydrophobicContact CB-CB 4.1Å; K374-C437 HydrophobicContact CG-CB 4Å
375	F	97.6	Very high	94.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-51.4	-50.7	-174.7	-79.9	-77.1	0	0	0	112.6	W368 I369 Y373 E377 R378 C379 F394 I426 F434 G436	W368-F375 HydrophobicContact CB-CE2 4.01Å; W368-F375 HydrophobicContact CB-CZ 3.98Å; I369-F375 HydrophobicContact CG1-CD2 4.45Å; I369-F375 HydrophobicContact CG1-CE2 3.73Å; Y373-F375 VanDerWaalsContact C-N 3.28Å; Y373-F375 HydrophobicContact CD1-CB 4.47Å; Y373-F375 AromaticContact CD1-CD1 3.71Å; Y373-F375 HydrophobicContact CD1-CD1 3.71Å; Y373-F375 AromaticContact CD1-CD2 3.64Å; Y373-F375 HydrophobicContact CD1-CD2 3.64Å; Y373-F375 AromaticContact CD1-CE1 3.72Å; Y373-F375 HydrophobicContact CD1-CE1 3.72Å; Y373-F375 AromaticContact CD1-CE2 3.65Å; Y373-F375 HydrophobicContact CD1-CE2 3.65Å; Y373-F375 AromaticContact CD1-CG 3.66Å; Y373-F375 HydrophobicContact CD1-CG 3.66Å; Y373-F375 AromaticContact CD1-CZ 3.68Å; Y373-F375 HydrophobicContact CD1-CZ 3.68Å; Y373-F375 AromaticContact CE1-CD1 3.62Å; Y373-F375 HydrophobicContact CE1-CD1 3.62Å; Y373-F375 HydrophobicContact CE1-CD2 4.38Å; Y373-F375 AromaticContact CE1-CE1 3.74Å; Y373-F375 HydrophobicContact CE1-CE1 3.74Å; Y373-F375 HydrophobicContact CE1-CE2 4.47Å; Y373-F375 AromaticContact CE1-CG 3.95Å; Y373-F375 HydrophobicContact CE1-CG 3.95Å; Y373-F375 HydrophobicContact CE1-CZ 4.17Å; Y373-F375 PolarHBondContact O-N 2.83Å; F375-E377 VanDerWaalsContact C-N 3.34Å; F375-E377 PolarHBondContact O-N 3.16Å; F375-R378 PolarHBondContact O-N 2.78Å; F375-C379 WeakPolarHBondContact O-CB 3.45Å; F375-C379 PolarHBondContact O-N 3.12Å; F375-C379 PolarHBondContact O-SG 3.32Å; F375-F394 HydrophobicContact CE1-CB 4.32Å; F375-F394 HydrophobicContact CE1-CD1 4.38Å; F375-F394 AromaticContact CE1-CD2 3.68Å; F375-F394 HydrophobicContact CE1-CD2 3.68Å; F375-F394 HydrophobicContact CE1-CE2 4.04Å; F375-F394 AromaticContact CE1-CG 3.88Å; F375-F394 HydrophobicContact CE1-CG 3.88Å; F375-F394 HydrophobicContact CE1-CZ 4.49Å; F375-F394 AromaticContact CZ-CD2 3.75Å; F375-F394 HydrophobicContact CZ-CD2 3.75Å; F375-F394 AromaticContact CZ-CE2 3.78Å; F375-F394 HydrophobicContact CZ-CE2 3.78Å; F375-F394 HydrophobicContact CZ-CG 4.41Å; F375-F394 HydrophobicContact CZ-CZ 4.43Å; F375-I426 HydrophobicContact CD1-CG2 4.21Å; F375-I426 HydrophobicContact CE1-CG2 3.85Å; F375-F434 WeakPolarHBondContact CB-O 3.22Å; F375-F434 HydrophobicContact CD1-CB 4.03Å; F375-F434 HydrophobicContact CD1-CD1 4.04Å; F375-F434 HydrophobicContact CD1-CG 4.35Å; F375-F434 HydrophobicContact CD2-CD1 4.38Å; F375-F434 HydrophobicContact CE1-CB 4.41Å; F375-F434 AromaticContact CE1-CD1 3.58Å; F375-F434 HydrophobicContact CE1-CD1 3.58Å; F375-F434 HydrophobicContact CE1-CE1 4.17Å; F375-F434 HydrophobicContact CE1-CG 4.24Å; F375-F434 AromaticContact CE2-CD1 3.95Å; F375-F434 HydrophobicContact CE2-CD1 3.95Å; F375-F434 HydrophobicContact CG-CB 4.18Å; F375-F434 HydrophobicContact CG-CD1 4.43Å; F375-F434 AromaticContact CZ-CD1 3.53Å; F375-F434 HydrophobicContact CZ-CD1 3.53Å; F375-F434 AromaticContact CZ-CE1 3.94Å; F375-F434 HydrophobicContact CZ-CE1 3.94Å; F375-G436 PolarHBondContact N-O 3.31Å
376	T	96.1	Very high	94.4	Very high	10 Å²	10	19.4 Å²	19.4	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-40.3	-178.2	-66.4	0	0	0	0	113.5	V101 K374 G380 L381 V382 G436	V101-T376 HydrophobicContact CG2-CG2 4.02Å; K374-T376 PolarHBondContact O-N 3.37Å; T376-G380 PolarHBondContact O-N 2.86Å; T376-L381 HydrophobicContact CG2-CB 4.29Å; T376-L381 PolarHBondContact O-N 2.81Å; T376-V382 HydrophobicContact CG2-CG2 3.87Å; T376-G436 PolarHBondContact N-O 2.9Å; T376-G436 WeakPolarHBondContact OG1-CA 3.49Å; T376-G436 PolarHBondContact OG1-N 3.4Å
377	E	95.4	Very high	94.1	Very high	51 Å²	51	23.6 Å²	23.6	24%	0.238	16%	0.159	C	C	.	.	H	α-helix	trans	-75.5	-49.9	177	-71.8	174	-143.7	0	0	111.9	K374 F375 C379 G380 E389	K374-E377 HydrophobicContact CB-CB 4.21Å; K374-E377 WeakPolarHBondContact CD-OE2 3.37Å; K374-E377 IonicContact NZ-OE1 3.74Å; K374-E377 PolarHBondContact NZ-OE1 3.49Å; K374-E377 IonicContact NZ-OE2 3.41Å; K374-E377 PolarHBondContact NZ-OE2 3.16Å; K374-E377 PolarHBondContact O-N 2.82Å; F375-E377 VanDerWaalsContact C-N 3.34Å; F375-E377 PolarHBondContact O-N 3.16Å; E377-C379 VanDerWaalsContact C-N 3.29Å; E377-C379 PolarHBondContact O-N 2.86Å; E377-G380 PolarHBondContact O-N 3.12Å; E377-G380 VanDerWaalsContact O-N 3.13Å; E377-E389 HydrophobicContact CB-CB 4.43Å
378	R	96.8	Very high	93.9	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-33.1	-174.7	-68	-77.3	176.9	-89	1.6	112.4	D337 Y373 K374 F375 E389 I390 S391	D337-R378 IonicContact OD1-CZ 3.45Å; D337-R378 IonicContact OD1-NE 2.72Å; D337-R378 PolarHBondContact OD1-NE 2.98Å; D337-R378 IonicContact OD1-NH2 3.23Å; D337-R378 IonicContact OD2-CZ 3.99Å; D337-R378 IonicContact OD2-NE 2.63Å; D337-R378 IonicContact OD2-NH2 2.9Å; D337-R378 PolarHBondContact OD2-NH2 3.5Å; Y373-R378 HydrophobicContact CE1-CB 4.34Å; Y373-R378 HydrophobicContact CE1-CG 4.47Å; Y373-R378 HydrophobicContact CE2-CB 4.44Å; Y373-R378 HydrophobicContact CE2-CG 3.85Å; Y373-R378 VanDerWaalsContact OH-CB 3.28Å; Y373-R378 WeakPolarHBondContact OH-CB 3.15Å; K374-R378 HydrophobicContact CB-CG 4.19Å; K374-R378 WeakPolarHBondContact O-CB 3.38Å; K374-R378 VanDerWaalsContact O-CG 3.28Å; K374-R378 WeakPolarHBondContact O-CG 3.22Å; K374-R378 PolarHBondContact O-N 3.12Å; F375-R378 PolarHBondContact O-N 2.78Å; R378-E389 WeakPolarHBondContact CD-O 3.13Å; R378-E389 IonicContact CZ-OE2 2.82Å; R378-E389 PolarHBondContact NH1-O 3.23Å; R378-E389 IonicContact NH1-OE2 2.81Å; R378-E389 PolarHBondContact NH1-OE2 2.94Å; R378-E389 IonicContact NH2-OE2 3.16Å; R378-I390 WeakPolarHBondContact O-CA 3.19Å; R378-I390 WeakPolarHBondContact O-CG2 3.41Å; R378-S391 PolarHBondContact O-N 2.89Å
379	C	95.1	Very high	93.8	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.7	178	-61.7	0	0	0	0	113.7	F375 E377 L381 Y427	F375-C379 WeakPolarHBondContact O-CB 3.45Å; F375-C379 PolarHBondContact O-N 3.12Å; F375-C379 PolarHBondContact O-SG 3.32Å; E377-C379 VanDerWaalsContact C-N 3.29Å; E377-C379 PolarHBondContact O-N 2.86Å; C379-L381 HydrophobicContact CB-CD2 3.85Å; C379-L381 HydrophobicContact CB-CG 3.99Å; C379-Y427 HydrophobicContact CB-CD1 3.82Å; C379-Y427 HydrophobicContact CB-CE1 3.87Å
380	G	94	Very high	93.7	Very high	20 Å²	20	36.9 Å²	36.9	21%	0.206	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	47.1	178.7	0	0	0	0	0	113.3	T376 E377 V382	T376-G380 PolarHBondContact O-N 2.86Å; E377-G380 PolarHBondContact O-N 3.12Å; E377-G380 VanDerWaalsContact O-N 3.13Å; G380-V382 VanDerWaalsContact C-N 3.34Å
381	L	93.5	Very high	93.7	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	21%	0.211	C	C	.	.			trans	-77.1	-20.4	-174.2	-57.7	-174.9	0	0	0	113.4	L104 T376 C379 A429 I435	L104-L381 HydrophobicContact CD1-CB 4.46Å; L104-L381 HydrophobicContact CD2-CB 4.07Å; L104-L381 WeakPolarHBondContact CD2-O 3.35Å; T376-L381 HydrophobicContact CG2-CB 4.29Å; T376-L381 PolarHBondContact O-N 2.81Å; C379-L381 HydrophobicContact CB-CD2 3.85Å; C379-L381 HydrophobicContact CB-CG 3.99Å; L381-A429 HydrophobicContact CD1-CB 4.4Å; L381-I435 HydrophobicContact CD1-CD1 3.81Å
382	V	92.6	Very high	93.7	Very high	20 Å²	20	36.2 Å²	36.2	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-121.9	135.3	-177.9	-177.6	0	0	0	0	109.1	V98 A99 V101 T376 G380 G384 A385	V98-V382 HydrophobicContact CG1-CG2 4.48Å; V98-V382 VanDerWaalsContact O-CG1 3.25Å; V98-V382 WeakPolarHBondContact O-CG1 3.47Å; A99-V382 WeakPolarHBondContact O-CG1 3.29Å; V101-V382 HydrophobicContact CG2-CG2 3.93Å; T376-V382 HydrophobicContact CG2-CG2 3.87Å; G380-V382 VanDerWaalsContact C-N 3.34Å; V382-G384 PolarHBondContact O-N 3.35Å; V382-A385 WeakPolarHBondContact O-CB 3.36Å; V382-A385 PolarHBondContact O-N 2.9Å; V382-A385 VanDerWaalsContact O-N 3.14Å
383	S	86.5	Confident	93.7	Very high	71 Å²	71	36.3 Å²	36.3	50%	0.497	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.6	-173.6	-51.1	0	0	0	0	114.3	L96 R97 V98 A385	L96-S383 PolarHBondContact O-OG 3.14Å; R97-S383 WeakPolarHBondContact CA-OG 3.42Å; V98-S383 PolarHBondContact N-OG 2.99Å; V98-S383 VanDerWaalsContact N-OG 3.08Å; V98-S383 PolarHBondContact O-N 2.79Å; V98-S383 PolarHBondContact O-OG 3.04Å; S383-A385 VanDerWaalsContact C-N 3.34Å
384	G	80.2	Confident	93.8	Very high	71 Å²	71	36.2 Å²	36.2	73%	0.732	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.7	176.2	0	0	0	0	0	114.7	V382	V382-G384 PolarHBondContact O-N 3.35Å
385	A	81.3	Confident	93.8	Very high	28 Å²	28	35 Å²	35	23%	0.231	21%	0.208	C	C	.	.	S	Bend	trans	-69.7	144.5	179.3	0	0	0	0	0	111.3	V382 S383 P387	V382-A385 WeakPolarHBondContact O-CB 3.36Å; V382-A385 PolarHBondContact O-N 2.9Å; V382-A385 VanDerWaalsContact O-N 3.14Å; S383-A385 VanDerWaalsContact C-N 3.34Å; A385-P387 VanDerWaalsContact O-CD 3.27Å; A385-P387 WeakPolarHBondContact O-CD 3.26Å
386	D	91.5	Very high	93.8	Very high	57 Å²	57	34.9 Å²	34.9	31%	0.305	21%	0.208	S	C	.	.			trans	-64.4	118.6	175.3	-174.9	-16.1	0	0	0	109.7	R388 E389	D386-R388 PolarHBondContact O-N 3.05Å; D386-R388 WeakPolarHBondContact OD1-CB 3.25Å; D386-R388 WeakPolarHBondContact OD1-CG 3.48Å; D386-R388 IonicContact OD1-CZ 3.07Å; D386-R388 PolarHBondContact OD1-N 3.05Å; D386-R388 IonicContact OD1-NE 2.67Å; D386-R388 PolarHBondContact OD1-NE 3.1Å; D386-R388 IonicContact OD1-NH2 2.71Å; D386-R388 IonicContact OD2-CZ 3.35Å; D386-R388 IonicContact OD2-NE 2.71Å; D386-R388 PolarHBondContact OD2-NE 3.17Å; D386-R388 IonicContact OD2-NH2 3.88Å; D386-R388 PolarHBondContact OD2-NH2 3.35Å; D386-E389 HydrophobicContact CB-CG 4.17Å; D386-E389 WeakPolarHBondContact O-CB 3.45Å; D386-E389 PolarHBondContact O-N 3.26Å
387	P	91.7	Very high	94	Very high	88 Å²	88	34.4 Å²	34.4	57%	0.571	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-56.6	-23.7	179	-25.2	34.9	0	0	0	113.2	R275 A385 E389 I390	R275-P387 PolarHBondContact NH1-O 3.44Å; A385-P387 VanDerWaalsContact O-CD 3.27Å; A385-P387 WeakPolarHBondContact O-CD 3.26Å; P387-E389 VanDerWaalsContact C-N 3.25Å; P387-E389 PolarHBondContact O-N 2.91Å; P387-I390 PolarHBondContact O-N 2.82Å
388	R	94.8	Very high	94.1	Very high	159 Å²	159	32 Å²	32	60%	0.6	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66.6	-22.7	176.8	-62.2	175.8	-63.8	179.2	3.9	113.8	H272 R275 D386	H272-R388 PolarHBondContact CE1-O 3.45Å; H272-R388 VanDerWaalsContact CE1-O 3.25Å; H272-R388 PolarHBondContact ND1-O 3.02Å; R275-R388 VanDerWaalsContact NH1-CA 3.32Å; D386-R388 PolarHBondContact O-N 3.05Å; D386-R388 WeakPolarHBondContact OD1-CB 3.25Å; D386-R388 WeakPolarHBondContact OD1-CG 3.48Å; D386-R388 IonicContact OD1-CZ 3.07Å; D386-R388 PolarHBondContact OD1-N 3.05Å; D386-R388 IonicContact OD1-NE 2.67Å; D386-R388 PolarHBondContact OD1-NE 3.1Å; D386-R388 IonicContact OD1-NH2 2.71Å; D386-R388 IonicContact OD2-CZ 3.35Å; D386-R388 IonicContact OD2-NE 2.71Å; D386-R388 PolarHBondContact OD2-NE 3.17Å; D386-R388 IonicContact OD2-NH2 3.88Å; D386-R388 PolarHBondContact OD2-NH2 3.35Å
389	E	95.9	Very high	94.2	Very high	57 Å²	57	31.8 Å²	31.8	27%	0.266	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-87.7	-11.3	179.1	-67.4	-62	141.9	0	0	113.3	E377 R378 D386 P387 S391	E377-E389 HydrophobicContact CB-CB 4.43Å; R378-E389 WeakPolarHBondContact CD-O 3.13Å; R378-E389 IonicContact CZ-OE2 2.82Å; R378-E389 PolarHBondContact NH1-O 3.23Å; R378-E389 IonicContact NH1-OE2 2.81Å; R378-E389 PolarHBondContact NH1-OE2 2.94Å; R378-E389 IonicContact NH2-OE2 3.16Å; D386-E389 HydrophobicContact CB-CG 4.17Å; D386-E389 WeakPolarHBondContact O-CB 3.45Å; D386-E389 PolarHBondContact O-N 3.26Å; P387-E389 VanDerWaalsContact C-N 3.25Å; P387-E389 PolarHBondContact O-N 2.91Å; E389-S391 PolarHBondContact O-N 3.32Å
390	I	95.9	Very high	94.4	Very high	66 Å²	66	31.5 Å²	31.5	34%	0.338	19%	0.191	S	C	.	.			trans	-72.8	126.7	177.6	-60.9	175.7	0	0	0	109.6	R275 R378 P387	R275-I390 WeakPolarHBondContact CD-O 3.49Å; R378-I390 WeakPolarHBondContact O-CA 3.19Å; R378-I390 WeakPolarHBondContact O-CG2 3.41Å; P387-I390 PolarHBondContact O-N 2.82Å
391	S	97.6	Very high	94.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.021	18%	0.181	C	C	.	.			trans	-163.5	139.6	179.6	-169.4	0	0	0	0	112.7	I271 R378 E389 I393	I271-S391 WeakPolarHBondContact CA-OG 3.45Å; I271-S391 WeakPolarHBondContact O-CB 3.3Å; I271-S391 PolarHBondContact O-OG 3.26Å; R378-S391 PolarHBondContact O-N 2.89Å; E389-S391 PolarHBondContact O-N 3.32Å; S391-I393 PolarHBondContact O-N 2.89Å
392	P	97.6	Very high	94.7	Very high	7 Å²	7	30 Å²	30	5%	0.045	18%	0.178	C	C	.	.			trans	-80.6	47.7	-171.9	37.2	-42	0	0	0	113.6	V274 L278 W304 T395 Q396	V274-P392 HydrophobicContact CG1-CG 3.74Å; L278-P392 HydrophobicContact CB-CG 3.99Å; L278-P392 HydrophobicContact CD2-CB 3.66Å; L278-P392 HydrophobicContact CD2-CG 3.59Å; L278-P392 HydrophobicContact CG-CG 4.37Å; W304-P392 HydrophobicContact CH2-CB 4.34Å; W304-P392 HydrophobicContact CH2-CG 3.98Å; W304-P392 HydrophobicContact CZ3-CG 4.11Å; P392-T395 WeakPolarHBondContact O-CB 3.39Å; P392-T395 PolarHBondContact O-N 3.27Å; P392-Q396 PolarHBondContact O-N 3.03Å
393	I	98.6	Very high	94.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-42.6	-175	-57.1	-60.6	0	0	0	111.6	I271 V274 D337 Q341 W368 Y373 S391 Q396 F397	I271-I393 HydrophobicContact CG2-CD1 4.07Å; I271-I393 HydrophobicContact CG2-CG1 4.09Å; V274-I393 HydrophobicContact CB-CD1 4.34Å; V274-I393 HydrophobicContact CG1-CD1 4.12Å; V274-I393 HydrophobicContact CG2-CD1 4.36Å; D337-I393 HydrophobicContact CB-CG1 4.46Å; D337-I393 HydrophobicContact CB-CG2 4.07Å; Q341-I393 HydrophobicContact CG-CG2 3.92Å; Q341-I393 PolarHBondContact NE2-O 3.42Å; W368-I393 HydrophobicContact CH2-CG2 4.23Å; W368-I393 HydrophobicContact CZ3-CG2 4.18Å; Y373-I393 HydrophobicContact CE2-CB 3.89Å; Y373-I393 HydrophobicContact CE2-CG2 3.88Å; Y373-I393 WeakPolarHBondContact OH-CB 3.38Å; S391-I393 PolarHBondContact O-N 2.89Å; I393-Q396 PolarHBondContact O-N 3.28Å; I393-F397 PolarHBondContact O-N 3.29Å
394	F	98.7	Very high	95.1	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-68.7	-35.6	173.6	-163.5	-95.1	0	0	0	111.9	I364 W368 Y373 F375 Q396 F397 L398 I426 F434	I364-F394 HydrophobicContact CD1-CZ 4.12Å; I364-F394 HydrophobicContact CG1-CZ 4.22Å; I364-F394 HydrophobicContact CG2-CE2 4.29Å; I364-F394 HydrophobicContact CG2-CZ 4.14Å; W368-F394 HydrophobicContact CB-CE2 4.29Å; W368-F394 AromaticContact CD2-CD2 3.53Å; W368-F394 HydrophobicContact CD2-CD2 3.53Å; W368-F394 AromaticContact CD2-CE2 3.63Å; W368-F394 HydrophobicContact CD2-CE2 3.63Å; W368-F394 AromaticContact CE2-CD2 3.9Å; W368-F394 AromaticContact CE2-CE2 3.91Å; W368-F394 AromaticContact CE3-CD2 3.44Å; W368-F394 HydrophobicContact CE3-CD2 3.44Å; W368-F394 VanDerWaalsContact CE3-CD2 3.44Å; W368-F394 HydrophobicContact CE3-CE2 4.03Å; W368-F394 HydrophobicContact CG-CD2 4.12Å; W368-F394 AromaticContact CG-CE2 3.75Å; W368-F394 HydrophobicContact CG-CE2 3.75Å; W368-F394 HydrophobicContact CH2-CD2 4Å; W368-F394 HydrophobicContact CZ2-CD2 4.16Å; W368-F394 HydrophobicContact CZ3-CB 4.22Å; W368-F394 AromaticContact CZ3-CD2 3.66Å; W368-F394 HydrophobicContact CZ3-CD2 3.66Å; W368-F394 HydrophobicContact CZ3-CG 4.42Å; Y373-F394 HydrophobicContact CE1-CB 4.04Å; Y373-F394 PolarHBondContact OH-N 3.44Å; F375-F394 HydrophobicContact CE1-CB 4.32Å; F375-F394 HydrophobicContact CE1-CD1 4.38Å; F375-F394 AromaticContact CE1-CD2 3.68Å; F375-F394 HydrophobicContact CE1-CD2 3.68Å; F375-F394 HydrophobicContact CE1-CE2 4.04Å; F375-F394 AromaticContact CE1-CG 3.88Å; F375-F394 HydrophobicContact CE1-CG 3.88Å; F375-F394 HydrophobicContact CE1-CZ 4.49Å; F375-F394 AromaticContact CZ-CD2 3.75Å; F375-F394 HydrophobicContact CZ-CD2 3.75Å; F375-F394 AromaticContact CZ-CE2 3.78Å; F375-F394 HydrophobicContact CZ-CE2 3.78Å; F375-F394 HydrophobicContact CZ-CG 4.41Å; F375-F394 HydrophobicContact CZ-CZ 4.43Å; F394-Q396 VanDerWaalsContact C-N 3.35Å; F394-Q396 PolarHBondContact O-N 2.81Å; F394-F397 HydrophobicContact CD2-CD1 4.29Å; F394-F397 AromaticContact CE2-CD1 3.97Å; F394-F397 HydrophobicContact CE2-CD1 3.97Å; F394-F397 HydrophobicContact CE2-CE1 4.28Å; F394-F397 HydrophobicContact CZ-CD1 4.14Å; F394-F397 HydrophobicContact CZ-CE1 4.28Å; F394-F397 WeakPolarHBondContact O-CB 3.47Å; F394-F397 PolarHBondContact O-N 3.29Å; F394-F397 VanDerWaalsContact O-N 3.14Å; F394-L398 HydrophobicContact CD1-CD1 3.78Å; F394-L398 HydrophobicContact CD1-CD2 4.48Å; F394-L398 HydrophobicContact CD1-CG 3.91Å; F394-L398 HydrophobicContact CE1-CD1 3.73Å; F394-L398 HydrophobicContact CE1-CD2 3.86Å; F394-L398 HydrophobicContact CE1-CG 3.78Å; F394-L398 HydrophobicContact CZ-CD2 4.38Å; F394-L398 WeakPolarHBondContact O-CG 3.45Å; F394-L398 PolarHBondContact O-N 3Å; F394-I426 HydrophobicContact CB-CD1 4.22Å; F394-I426 HydrophobicContact CD1-CD1 4.01Å; F394-I426 HydrophobicContact CD1-CG2 3.74Å; F394-I426 HydrophobicContact CE1-CG2 3.84Å; F394-I426 HydrophobicContact CG-CG2 4.47Å; F394-F434 HydrophobicContact CZ-CE1 4.44Å
395	T	98.4	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-43.7	172.7	-59.5	0	0	0	0	111.3	F72 P392 F397 L398 D399 H423 Y427 L540	F72-T395 HydrophobicContact CZ-CG2 4.35Å; P392-T395 WeakPolarHBondContact O-CB 3.39Å; P392-T395 PolarHBondContact O-N 3.27Å; T395-F397 VanDerWaalsContact C-N 3.31Å; T395-F397 PolarHBondContact O-N 3.38Å; T395-L398 PolarHBondContact O-N 3.41Å; T395-D399 WeakPolarHBondContact O-CB 3.42Å; T395-D399 PolarHBondContact O-N 3.35Å; T395-H423 PolarHBondContact OG1-CD2 3.35Å; T395-H423 VanDerWaalsContact OG1-CD2 3.29Å; T395-H423 PolarHBondContact OG1-NE2 2.92Å; T395-Y427 PolarHBondContact OG1-OH 3.12Å; T395-L540 HydrophobicContact CG2-CD2 4.23Å
396	Q	98.6	Very high	95.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-39.6	173.6	-76.7	-175.1	-42.2	0	0	112.5	V274 W304 L308 I311 Q341 P392 I393 F394 D399 C400	V274-Q396 VanDerWaalsContact CG1-CD 3.43Å; V274-Q396 HydrophobicContact CG1-CG 4.21Å; W304-Q396 HydrophobicContact CH2-CG 3.39Å; W304-Q396 HydrophobicContact CZ2-CG 3.68Å; W304-Q396 HydrophobicContact CZ3-CG 4.04Å; L308-Q396 HydrophobicContact CD2-CB 4.2Å; L308-Q396 HydrophobicContact CD2-CG 4.25Å; I311-Q396 HydrophobicContact CD1-CB 4.16Å; Q341-Q396 VanDerWaalsContact NE2-OE1 3.12Å; P392-Q396 PolarHBondContact O-N 3.03Å; I393-Q396 PolarHBondContact O-N 3.28Å; F394-Q396 VanDerWaalsContact C-N 3.35Å; F394-Q396 PolarHBondContact O-N 2.81Å; Q396-D399 PolarHBondContact O-N 2.67Å; Q396-C400 PolarHBondContact O-N 3Å; Q396-C400 PolarHBondContact O-SG 3.13Å; Q396-C400 VanDerWaalsContact O-SG 3.37Å
397	F	98.8	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-47.6	175.3	163.2	-104.3	0	0	0	112.1	Q341 A344 L345 I348 I364 W368 I393 F394 T395 D399 C400 L401	Q341-F397 HydrophobicContact CG-CB 4.45Å; A344-F397 HydrophobicContact CB-CD2 4.34Å; A344-F397 HydrophobicContact CB-CE2 3.72Å; A344-F397 HydrophobicContact CB-CZ 4.33Å; L345-F397 HydrophobicContact CD1-CD2 4.28Å; L345-F397 HydrophobicContact CD2-CD2 4.01Å; L345-F397 HydrophobicContact CD2-CE2 3.99Å; L345-F397 HydrophobicContact CG-CD2 3.83Å; L345-F397 HydrophobicContact CG-CE2 4.01Å; I348-F397 HydrophobicContact CD1-CE2 3.99Å; I348-F397 HydrophobicContact CD1-CZ 4.01Å; I364-F397 HydrophobicContact CG1-CE1 4.39Å; W368-F397 AromaticContact CE2-CG 3.92Å; W368-F397 HydrophobicContact CH2-CB 3.65Å; W368-F397 HydrophobicContact CH2-CG 4.14Å; W368-F397 HydrophobicContact CZ2-CB 3.34Å; W368-F397 AromaticContact CZ2-CD1 3.82Å; W368-F397 HydrophobicContact CZ2-CD1 3.82Å; W368-F397 AromaticContact CZ2-CD2 3.68Å; W368-F397 HydrophobicContact CZ2-CD2 3.68Å; W368-F397 HydrophobicContact CZ2-CE2 4.44Å; W368-F397 AromaticContact CZ2-CG 3.31Å; W368-F397 HydrophobicContact CZ2-CG 3.31Å; W368-F397 AromaticContact NE1-CE1 3.92Å; W368-F397 AromaticContact NE1-CZ 3.94Å; I393-F397 PolarHBondContact O-N 3.29Å; F394-F397 HydrophobicContact CD2-CD1 4.29Å; F394-F397 AromaticContact CE2-CD1 3.97Å; F394-F397 HydrophobicContact CE2-CD1 3.97Å; F394-F397 HydrophobicContact CE2-CE1 4.28Å; F394-F397 HydrophobicContact CZ-CD1 4.14Å; F394-F397 HydrophobicContact CZ-CE1 4.28Å; F394-F397 WeakPolarHBondContact O-CB 3.47Å; F394-F397 PolarHBondContact O-N 3.29Å; F394-F397 VanDerWaalsContact O-N 3.14Å; T395-F397 VanDerWaalsContact C-N 3.31Å; T395-F397 PolarHBondContact O-N 3.38Å; F397-D399 VanDerWaalsContact C-N 3.26Å; F397-D399 PolarHBondContact O-N 2.73Å; F397-C400 PolarHBondContact O-N 3.33Å; F397-L401 HydrophobicContact CZ-CD2 4.36Å; F397-L401 WeakPolarHBondContact O-CB 3.42Å; F397-L401 PolarHBondContact O-N 3.19Å
398	L	98.7	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-35.7	175.9	-65.4	176.9	0	0	0	111.8	F394 T395 L401 R402 L419 L422 H423 W537	F394-L398 HydrophobicContact CD1-CD1 3.78Å; F394-L398 HydrophobicContact CD1-CD2 4.48Å; F394-L398 HydrophobicContact CD1-CG 3.91Å; F394-L398 HydrophobicContact CE1-CD1 3.73Å; F394-L398 HydrophobicContact CE1-CD2 3.86Å; F394-L398 HydrophobicContact CE1-CG 3.78Å; F394-L398 HydrophobicContact CZ-CD2 4.38Å; F394-L398 WeakPolarHBondContact O-CG 3.45Å; F394-L398 PolarHBondContact O-N 3Å; T395-L398 PolarHBondContact O-N 3.41Å; L398-L401 PolarHBondContact O-N 2.91Å; L398-R402 WeakPolarHBondContact O-CB 3.44Å; L398-R402 PolarHBondContact O-N 3.5Å; L398-L419 HydrophobicContact CD2-CD2 4.29Å; L398-L422 HydrophobicContact CD1-CB 4.18Å; L398-L422 HydrophobicContact CD2-CB 4.27Å; L398-L422 HydrophobicContact CD2-CD1 4.21Å; L398-H423 HydrophobicContact CD1-CB 3.86Å; L398-W537 HydrophobicContact CB-CH2 4.33Å; L398-W537 HydrophobicContact CB-CZ3 4Å
399	D	98.2	Very high	94.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-70.2	-40.7	178.4	-155.2	-8.5	0	0	0	112.2	W304 L308 T395 Q396 F397 L401 R402 H403 W537 Y541	W304-D399 PolarHBondContact NE1-OD2 2.79Å; L308-D399 HydrophobicContact CD1-CB 4.14Å; L308-D399 HydrophobicContact CD2-CB 3.93Å; T395-D399 WeakPolarHBondContact O-CB 3.42Å; T395-D399 PolarHBondContact O-N 3.35Å; Q396-D399 PolarHBondContact O-N 2.67Å; F397-D399 VanDerWaalsContact C-N 3.26Å; F397-D399 PolarHBondContact O-N 2.73Å; D399-L401 VanDerWaalsContact C-N 3.33Å; D399-R402 PolarHBondContact O-N 2.81Å; D399-R402 IonicContact OD1-CZ 2.85Å; D399-R402 IonicContact OD1-NE 2.83Å; D399-R402 PolarHBondContact OD1-NE 2.89Å; D399-R402 IonicContact OD1-NH2 3.22Å; D399-R402 PolarHBondContact OD1-NH2 3.12Å; D399-H403 PolarHBondContact O-N 3.19Å; D399-W537 HydrophobicContact CB-CE3 4.09Å; D399-W537 HydrophobicContact CB-CZ3 4.46Å; D399-Y541 WeakPolarHBondContact OD2-CE2 3.39Å; D399-Y541 PolarHBondContact OD2-OH 3.4Å
400	C	98.7	Very high	94.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.7	-42	168.4	-72.1	0	0	0	0	111.4	L312 L345 Q396 F397 H403 L404	L312-C400 HydrophobicContact CD1-CB 4.31Å; L312-C400 HydrophobicContact CD2-CB 4.01Å; L312-C400 HydrophobicContact CG-CB 4.02Å; L345-C400 HydrophobicContact CD1-CB 3.65Å; L345-C400 HydrophobicContact CD2-CB 3.88Å; L345-C400 HydrophobicContact CG-CB 4.45Å; Q396-C400 PolarHBondContact O-N 3Å; Q396-C400 PolarHBondContact O-SG 3.13Å; Q396-C400 VanDerWaalsContact O-SG 3.37Å; F397-C400 PolarHBondContact O-N 3.33Å; C400-H403 WeakPolarHBondContact O-CB 3.37Å; C400-H403 PolarHBondContact O-N 3.47Å; C400-L404 WeakPolarHBondContact O-CG 3.5Å; C400-L404 PolarHBondContact O-N 3.34Å
401	L	98.4	Very high	93.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.8	-174.8	52.2	0	0	0	112.3	I348 L360 F397 L398 D399 H403 L404 L405 F412 Y414 L419	I348-L401 HydrophobicContact CD1-CD1 3.72Å; I348-L401 HydrophobicContact CD1-CD2 4.21Å; I348-L401 HydrophobicContact CG2-CD1 3.94Å; L360-L401 HydrophobicContact CD1-CD2 3.6Å; L360-L401 HydrophobicContact CD2-CD2 4.24Å; F397-L401 HydrophobicContact CZ-CD2 4.36Å; F397-L401 WeakPolarHBondContact O-CB 3.42Å; F397-L401 PolarHBondContact O-N 3.19Å; L398-L401 PolarHBondContact O-N 2.91Å; D399-L401 VanDerWaalsContact C-N 3.33Å; L401-H403 VanDerWaalsContact C-N 3.29Å; L401-H403 PolarHBondContact O-N 2.93Å; L401-L404 PolarHBondContact O-N 3.42Å; L401-L405 WeakPolarHBondContact O-CB 3.45Å; L401-L405 PolarHBondContact O-N 2.89Å; L401-F412 HydrophobicContact CD1-CD1 4.43Å; L401-F412 HydrophobicContact CD1-CE1 3.69Å; L401-F412 HydrophobicContact CD1-CZ 4.33Å; L401-Y414 HydrophobicContact CD1-CE2 4.42Å; L401-Y414 WeakPolarHBondContact CD1-OH 3.43Å; L401-Y414 HydrophobicContact CD2-CE2 4.02Å; L401-Y414 HydrophobicContact CG-CE2 4.21Å; L401-L419 HydrophobicContact CB-CD1 4.24Å; L401-L419 HydrophobicContact CD2-CD1 4.41Å; L401-L419 HydrophobicContact CD2-CD2 3.65Å; L401-L419 HydrophobicContact CG-CD1 4Å; L401-L419 HydrophobicContact CG-CD2 4.16Å
402	R	96.6	Very high	93.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58.2	-44.3	172	177.2	-80.9	-47	159.9	-1.2	110.6	L398 D399 L405 E406 I416 L419 R535 W537	L398-R402 WeakPolarHBondContact O-CB 3.44Å; L398-R402 PolarHBondContact O-N 3.5Å; D399-R402 PolarHBondContact O-N 2.81Å; D399-R402 IonicContact OD1-CZ 2.85Å; D399-R402 IonicContact OD1-NE 2.83Å; D399-R402 PolarHBondContact OD1-NE 2.89Å; D399-R402 IonicContact OD1-NH2 3.22Å; D399-R402 PolarHBondContact OD1-NH2 3.12Å; R402-L405 PolarHBondContact O-N 3Å; R402-E406 VanDerWaalsContact CD-OE1 3.27Å; R402-E406 WeakPolarHBondContact CD-OE1 3.27Å; R402-E406 WeakPolarHBondContact CD-OE2 3.33Å; R402-E406 IonicContact CZ-OE2 3.65Å; R402-E406 IonicContact NE-OE2 3.53Å; R402-E406 IonicContact NH1-OE2 3.6Å; R402-E406 PolarHBondContact NH1-OE2 2.83Å; R402-E406 WeakPolarHBondContact O-CG 3.39Å; R402-E406 PolarHBondContact O-N 2.99Å; R402-I416 HydrophobicContact CG-CD1 4.43Å; R402-I416 HydrophobicContact CG-CG1 4.46Å; R402-I416 HydrophobicContact CG-CG2 4.32Å; R402-L419 HydrophobicContact CB-CD1 3.89Å; R402-R535 PolarHBondContact NH2-O 3.37Å; R402-W537 HydrophobicContact CB-CD2 4.08Å; R402-W537 HydrophobicContact CB-CE3 4.05Å; R402-W537 HydrophobicContact CB-CH2 4.24Å; R402-W537 HydrophobicContact CB-CZ2 4.23Å; R402-W537 HydrophobicContact CB-CZ3 4.14Å; R402-W537 HydrophobicContact CG-CD2 3.72Å; R402-W537 HydrophobicContact CG-CE3 4.21Å; R402-W537 HydrophobicContact CG-CG 3.94Å; R402-W537 HydrophobicContact CG-CZ2 4.09Å
403	H	92.4	Very high	93.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-48.7	174.7	176.3	88.5	0	0	0	111.7	L312 D399 C400 L401 L405 E406 I407 I528 F534	L312-H403 HydrophobicContact CD1-CB 4.42Å; L312-H403 VanDerWaalsContact CD1-CD2 3.4Å; L312-H403 WeakPolarHBondContact CD1-CD2 3.2Å; D399-H403 PolarHBondContact O-N 3.19Å; C400-H403 WeakPolarHBondContact O-CB 3.37Å; C400-H403 PolarHBondContact O-N 3.47Å; L401-H403 VanDerWaalsContact C-N 3.29Å; L401-H403 PolarHBondContact O-N 2.93Å; H403-L405 VanDerWaalsContact C-N 3.34Å; H403-L405 PolarHBondContact O-N 3.41Å; H403-E406 PolarHBondContact O-N 3.41Å; H403-I407 VanDerWaalsContact O-CG1 3.31Å; H403-I407 WeakPolarHBondContact O-CG1 3.37Å; H403-I407 PolarHBondContact O-N 3.06Å; H403-I528 PolarHBondContact NE2-O 3.11Å; H403-F534 AromaticContact CE1-CD2 3.63Å; H403-F534 AromaticContact CE1-CE2 3.68Å; H403-F534 AromaticContact CE1-CG 3.84Å; H403-F534 AromaticContact CE1-CZ 3.96Å; H403-F534 AromaticContact NE2-CE2 3.62Å; H403-F534 AromaticContact NE2-CZ 3.66Å
404	L	95.1	Very high	93	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-42.4	177	-62.7	178.9	0	0	0	112.6	L312 L345 I348 I349 C400 L401 I407 C408 F412 L524 I528	L312-L404 HydrophobicContact CD1-CD2 4.29Å; L312-L404 HydrophobicContact CD2-CD1 4.05Å; L312-L404 HydrophobicContact CD2-CD2 3.99Å; L312-L404 HydrophobicContact CD2-CG 4.06Å; L345-L404 HydrophobicContact CD2-CD1 4.11Å; I348-L404 HydrophobicContact CG2-CD1 4.06Å; I349-L404 HydrophobicContact CG1-CD1 4.08Å; C400-L404 WeakPolarHBondContact O-CG 3.5Å; C400-L404 PolarHBondContact O-N 3.34Å; L401-L404 PolarHBondContact O-N 3.42Å; L404-I407 PolarHBondContact O-N 3.04Å; L404-C408 PolarHBondContact O-N 3.31Å; L404-F412 HydrophobicContact CB-CE2 4.05Å; L404-F412 HydrophobicContact CB-CZ 3.65Å; L404-F412 WeakPolarHBondContact O-CE2 3.48Å; L404-L524 HydrophobicContact CB-CD1 4.33Å; L404-L524 HydrophobicContact CD1-CD1 4.22Å; L404-L524 HydrophobicContact CD2-CD1 4.2Å; L404-L524 HydrophobicContact CG-CD1 4.49Å; L404-I528 HydrophobicContact CD2-CB 3.85Å; L404-I528 HydrophobicContact CD2-CD1 3.76Å; L404-I528 HydrophobicContact CD2-CG1 4.24Å; L404-I528 HydrophobicContact CD2-CG2 3.99Å
405	L	92.6	Very high	92.7	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.063	8%	0.077	C	C	.	.	H	α-helix	trans	-61.9	-44.1	177.5	-171.7	167.3	0	0	0	111.4	L401 R402 H403 C408 P409 F412 Y414 I416 L419	L401-L405 WeakPolarHBondContact O-CB 3.45Å; L401-L405 PolarHBondContact O-N 2.89Å; R402-L405 PolarHBondContact O-N 3Å; H403-L405 VanDerWaalsContact C-N 3.34Å; H403-L405 PolarHBondContact O-N 3.41Å; L405-C408 CarbonylContact O-C 3.43Å; L405-P409 WeakPolarHBondContact O-CA 3.42Å; L405-P409 VanDerWaalsContact O-N 3.16Å; L405-F412 HydrophobicContact CB-CD2 4.22Å; L405-F412 HydrophobicContact CB-CG 4.32Å; L405-F412 HydrophobicContact CG-CB 4.14Å; L405-F412 HydrophobicContact CG-CD2 4.46Å; L405-F412 HydrophobicContact CG-CG 4.3Å; L405-Y414 HydrophobicContact CD1-CD2 3.98Å; L405-Y414 HydrophobicContact CD1-CE2 4.12Å; L405-Y414 WeakPolarHBondContact CD1-O 3.45Å; L405-I416 HydrophobicContact CD1-CG1 4.15Å; L405-I416 HydrophobicContact CD2-CD1 4.21Å; L405-I416 HydrophobicContact CD2-CG1 3.69Å; L405-L419 HydrophobicContact CD1-CD1 4.21Å
406	E	84.6	Confident	92.4	Very high	59 Å²	59	15.8 Å²	15.8	28%	0.276	8%	0.083	S	C	.	.	H	α-helix	trans	-67.4	-36.8	178.2	-75.6	179.4	165.1	0	0	113.2	R402 H403 I416	R402-E406 VanDerWaalsContact CD-OE1 3.27Å; R402-E406 WeakPolarHBondContact CD-OE1 3.27Å; R402-E406 WeakPolarHBondContact CD-OE2 3.33Å; R402-E406 IonicContact CZ-OE2 3.65Å; R402-E406 IonicContact NE-OE2 3.53Å; R402-E406 IonicContact NH1-OE2 3.6Å; R402-E406 PolarHBondContact NH1-OE2 2.83Å; R402-E406 WeakPolarHBondContact O-CG 3.39Å; R402-E406 PolarHBondContact O-N 2.99Å; H403-E406 PolarHBondContact O-N 3.41Å; E406-I416 HydrophobicContact CG-CD1 3.83Å
407	I	82.9	Confident	92.2	Very high	38 Å²	38	20.2 Å²	20.2	20%	0.195	10%	0.103	C	C	.	.	H	α-helix	trans	-76.4	-34.1	178.8	-61	-48.7	0	0	0	111.7	H403 L404 P409 H527 I528 L533	H403-I407 VanDerWaalsContact O-CG1 3.31Å; H403-I407 WeakPolarHBondContact O-CG1 3.37Å; H403-I407 PolarHBondContact O-N 3.06Å; L404-I407 PolarHBondContact O-N 3.04Å; I407-P409 VanDerWaalsContact C-CD 3.43Å; I407-P409 WeakPolarHBondContact O-CD 3.02Å; I407-H527 VanDerWaalsContact CG2-CD2 3.45Å; I407-H527 WeakPolarHBondContact CG2-CD2 3.32Å; I407-I528 HydrophobicContact CB-CG2 4.44Å; I407-I528 HydrophobicContact CG2-CG2 3.94Å; I407-L533 HydrophobicContact CD1-CB 3.95Å; I407-L533 HydrophobicContact CD1-CD1 3.98Å; I407-L533 HydrophobicContact CD1-CG 4.43Å
408	C	84.8	Confident	92.1	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.068	10%	0.103	C	C	.	.	S	Bend	trans	-123	63.4	-178.9	-58.3	0	0	0	0	111.4	L404 L405 T410 K411 F412 L524	L404-C408 PolarHBondContact O-N 3.31Å; L405-C408 CarbonylContact O-C 3.43Å; C408-T410 PolarHBondContact O-N 2.87Å; C408-T410 VanDerWaalsContact O-N 3.09Å; C408-K411 HydrophobicContact CB-CB 3.98Å; C408-K411 HydrophobicContact CB-CG 3.95Å; C408-K411 WeakPolarHBondContact O-CB 3.22Å; C408-K411 PolarHBondContact O-N 3.11Å; C408-F412 HydrophobicContact CB-CE2 4.21Å; C408-F412 WeakPolarHBondContact O-CD2 3.49Å; C408-L524 HydrophobicContact CB-CD2 4.24Å
409	P	83.9	Confident	92.1	Very high	49 Å²	49	20.3 Å²	20.3	32%	0.318	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.7	-168.2	27.4	-36.7	0	0	0	114.5	L405 I407 N467	L405-P409 WeakPolarHBondContact O-CA 3.42Å; L405-P409 VanDerWaalsContact O-N 3.16Å; I407-P409 VanDerWaalsContact C-CD 3.43Å; I407-P409 WeakPolarHBondContact O-CD 3.02Å; P409-N467 PolarHBondContact O-ND2 2.86Å
410	T	84.7	Confident	91.9	Very high	40 Å²	40	22.1 Å²	22.1	25%	0.245	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.6	176.6	66.6	0	0	0	0	113.3	C408 F469 Y470 E471	C408-T410 PolarHBondContact O-N 2.87Å; C408-T410 VanDerWaalsContact O-N 3.09Å; T410-F469 VanDerWaalsContact CA-O 3.3Å; T410-F469 WeakPolarHBondContact CA-O 3.45Å; T410-F469 WeakPolarHBondContact CB-O 3.43Å; T410-F469 WeakPolarHBondContact CG2-O 2.92Å; T410-Y470 WeakPolarHBondContact O-CD2 3.38Å; T410-E471 VanDerWaalsContact CB-OE2 3.31Å; T410-E471 WeakPolarHBondContact CB-OE2 3.31Å; T410-E471 HydrophobicContact CG2-CG 4.09Å; T410-E471 PolarHBondContact O-N 3.35Å; T410-E471 PolarHBondContact OG1-OE2 3.03Å
411	K	87.7	Confident	91.8	Very high	50 Å²	50	24.3 Å²	24.3	22%	0.217	12%	0.12	C	C	.	.	S	Bend	trans	-90.8	-8	-174.2	-68.5	-58.4	-162.9	160.3	0	114.4	R355 C408 D522 L524	R355-K411 VanDerWaalsContact CB-O 3.25Å; R355-K411 WeakPolarHBondContact CB-O 3.38Å; R355-K411 WeakPolarHBondContact CD-O 3.45Å; C408-K411 HydrophobicContact CB-CB 3.98Å; C408-K411 HydrophobicContact CB-CG 3.95Å; C408-K411 WeakPolarHBondContact O-CB 3.22Å; C408-K411 PolarHBondContact O-N 3.11Å; K411-D522 IonicContact NZ-OD1 2.69Å; K411-D522 PolarHBondContact NZ-OD1 3.23Å; K411-D522 VanDerWaalsContact NZ-OD1 3.16Å; K411-D522 IonicContact NZ-OD2 3.2Å; K411-D522 PolarHBondContact NZ-OD2 3.43Å; K411-L524 HydrophobicContact CB-CD2 4.18Å; K411-L524 HydrophobicContact CG-CD2 4.15Å
412	F	91.9	Very high	91.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.			trans	-120.6	128.1	-175	-67.9	-91.6	0	0	0	111.4	I348 R355 L401 L404 L405 C408 Y414 N467 Y470 L524	I348-F412 HydrophobicContact CG2-CE1 3.63Å; I348-F412 HydrophobicContact CG2-CZ 3.95Å; R355-F412 HydrophobicContact CB-CD1 3.86Å; R355-F412 HydrophobicContact CB-CE1 4.15Å; R355-F412 HydrophobicContact CB-CG 4.43Å; R355-F412 HydrophobicContact CG-CD1 3.84Å; R355-F412 HydrophobicContact CG-CE1 3.59Å; R355-F412 HydrophobicContact CG-CZ 4.1Å; L401-F412 HydrophobicContact CD1-CD1 4.43Å; L401-F412 HydrophobicContact CD1-CE1 3.69Å; L401-F412 HydrophobicContact CD1-CZ 4.33Å; L404-F412 HydrophobicContact CB-CE2 4.05Å; L404-F412 HydrophobicContact CB-CZ 3.65Å; L404-F412 WeakPolarHBondContact O-CE2 3.48Å; L405-F412 HydrophobicContact CB-CD2 4.22Å; L405-F412 HydrophobicContact CB-CG 4.32Å; L405-F412 HydrophobicContact CG-CB 4.14Å; L405-F412 HydrophobicContact CG-CD2 4.46Å; L405-F412 HydrophobicContact CG-CG 4.3Å; C408-F412 HydrophobicContact CB-CE2 4.21Å; C408-F412 WeakPolarHBondContact O-CD2 3.49Å; F412-Y414 HydrophobicContact CD1-CE1 4.26Å; F412-Y414 AromaticContact CD1-CE2 3.9Å; F412-Y414 HydrophobicContact CD1-CE2 3.9Å; F412-Y414 AromaticContact CD1-CZ 3.56Å; F412-Y414 VanDerWaalsContact CD1-OH 3.26Å; F412-Y414 WeakPolarHBondContact CD1-OH 3.26Å; F412-Y414 WeakPolarHBondContact CE1-OH 3.42Å; F412-N467 WeakPolarHBondContact O-CB 3.36Å; F412-N467 PolarHBondContact O-ND2 3.3Å; F412-Y470 WeakPolarHBondContact O-CD2 3.26Å; F412-L524 HydrophobicContact CE2-CD1 4.23Å; F412-L524 HydrophobicContact CZ-CD1 3.93Å
413	E	93.1	Very high	91.8	Very high	21 Å²	21	24.4 Å²	24.4	10%	0.098	12%	0.121	C	C	.	.	S	Bend	trans	-74.5	-30.7	-179.4	-172.4	179.9	-153.1	0	0	112.2	R355 T356 F357 R462 I466 N467 Y470	R355-E413 PolarHBondContact O-N 2.85Å; T356-E413 WeakPolarHBondContact CA-OE2 3.35Å; T356-E413 WeakPolarHBondContact CB-OE2 3.3Å; F357-E413 HydrophobicContact CB-CG 4.43Å; F357-E413 WeakPolarHBondContact CB-OE2 3.45Å; F357-E413 PolarHBondContact N-OE2 2.73Å; E413-R462 IonicContact OE1-CZ 2.62Å; E413-R462 IonicContact OE1-NH1 3.92Å; E413-R462 IonicContact OE1-NH2 3.7Å; E413-R462 PolarHBondContact OE1-NH2 3.4Å; E413-R462 IonicContact OE2-NH2 3.27Å; E413-R462 PolarHBondContact OE2-NH2 2.91Å; E413-I466 HydrophobicContact CG-CD1 4.02Å; E413-I466 HydrophobicContact CG-CG2 4.49Å; E413-I466 CarbonylContact O-C 3.49Å; E413-I466 WeakPolarHBondContact O-CA 3.27Å; E413-N467 WeakPolarHBondContact O-CB 3.44Å; E413-N467 PolarHBondContact O-N 2.85Å; E413-Y470 VanDerWaalsContact CA-CG 3.47Å; E413-Y470 HydrophobicContact CB-CD1 3.75Å; E413-Y470 HydrophobicContact CB-CD2 4.17Å; E413-Y470 HydrophobicContact CB-CE1 3.78Å; E413-Y470 HydrophobicContact CB-CE2 4.21Å; E413-Y470 HydrophobicContact CB-CG 3.94Å; E413-Y470 HydrophobicContact CG-CD1 3.74Å; E413-Y470 HydrophobicContact CG-CE1 3.94Å; E413-Y470 HydrophobicContact CG-CG 4.29Å
414	Y	95	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-92.6	157	177.9	50	-95	0	0	0	112.3	R355 L360 L401 L405 F412 L418 L419 W465	R355-Y414 WeakPolarHBondContact O-CE1 3.44Å; L360-Y414 HydrophobicContact CB-CD1 4.05Å; L360-Y414 HydrophobicContact CB-CE1 3.61Å; L360-Y414 HydrophobicContact CD2-CD1 3.96Å; L360-Y414 HydrophobicContact CD2-CD2 4.06Å; L360-Y414 HydrophobicContact CD2-CE1 3.78Å; L360-Y414 HydrophobicContact CD2-CE2 3.89Å; L360-Y414 HydrophobicContact CD2-CG 4.09Å; L360-Y414 HydrophobicContact CG-CE1 4.16Å; L401-Y414 HydrophobicContact CD1-CE2 4.42Å; L401-Y414 WeakPolarHBondContact CD1-OH 3.43Å; L401-Y414 HydrophobicContact CD2-CE2 4.02Å; L401-Y414 HydrophobicContact CG-CE2 4.21Å; L405-Y414 HydrophobicContact CD1-CD2 3.98Å; L405-Y414 HydrophobicContact CD1-CE2 4.12Å; L405-Y414 WeakPolarHBondContact CD1-O 3.45Å; F412-Y414 HydrophobicContact CD1-CE1 4.26Å; F412-Y414 AromaticContact CD1-CE2 3.9Å; F412-Y414 HydrophobicContact CD1-CE2 3.9Å; F412-Y414 AromaticContact CD1-CZ 3.56Å; F412-Y414 VanDerWaalsContact CD1-OH 3.26Å; F412-Y414 WeakPolarHBondContact CD1-OH 3.26Å; F412-Y414 WeakPolarHBondContact CE1-OH 3.42Å; Y414-L418 VanDerWaalsContact CB-CD2 3.44Å; Y414-L418 HydrophobicContact CD2-CD2 4.41Å; Y414-L418 HydrophobicContact CG-CD2 3.91Å; Y414-L419 HydrophobicContact CD2-CD2 4.18Å; Y414-L419 HydrophobicContact CE2-CD2 4.07Å; Y414-W465 CarbonylContact C-O 3.5Å; Y414-W465 VanDerWaalsContact CA-O 3.22Å; Y414-W465 WeakPolarHBondContact CA-O 3.23Å
415	N	92.6	Very high	91.9	Very high	26 Å²	26	27.5 Å²	27.5	14%	0.139	14%	0.137	C	C	.	.			trans	-100.4	174.1	179.9	68.5	31.9	0	0	0	112.7	K417 L418 G464 W465 I466 N467	N415-K417 PolarHBondContact O-N 2.71Å; N415-K417 WeakPolarHBondContact OD1-CA 3.48Å; N415-K417 VanDerWaalsContact OD1-CB 3.26Å; N415-K417 WeakPolarHBondContact OD1-CB 3.48Å; N415-K417 PolarHBondContact OD1-N 3.36Å; N415-L418 PolarHBondContact O-N 3.42Å; N415-L418 PolarHBondContact OD1-N 2.84Å; N415-L418 VanDerWaalsContact OD1-N 3.12Å; N415-G464 PolarHBondContact ND2-O 3.26Å; N415-W465 VanDerWaalsContact CG-O 3.25Å; N415-W465 PolarHBondContact N-O 2.96Å; N415-W465 VanDerWaalsContact ND2-C 3.29Å; N415-W465 PolarHBondContact ND2-O 3.12Å; N415-W465 PolarHBondContact OD1-O 2.77Å; N415-I466 PolarHBondContact ND2-O 2.87Å; N415-N467 HydrophobicContact CB-CB 4.27Å
416	I	92	Very high	92.1	Very high	25 Å²	25	27 Å²	27	13%	0.128	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-29.6	179.9	-63.3	175.8	0	0	0	111.9	R402 L405 E406 L418 L419 Q420 W537	R402-I416 HydrophobicContact CG-CD1 4.43Å; R402-I416 HydrophobicContact CG-CG1 4.46Å; R402-I416 HydrophobicContact CG-CG2 4.32Å; L405-I416 HydrophobicContact CD1-CG1 4.15Å; L405-I416 HydrophobicContact CD2-CD1 4.21Å; L405-I416 HydrophobicContact CD2-CG1 3.69Å; E406-I416 HydrophobicContact CG-CD1 3.83Å; I416-L418 VanDerWaalsContact C-N 3.28Å; I416-L418 PolarHBondContact O-N 3.16Å; I416-L419 WeakPolarHBondContact O-CB 3.45Å; I416-L419 PolarHBondContact O-N 3.37Å; I416-Q420 HydrophobicContact CG2-CG 4.39Å; I416-Q420 PolarHBondContact O-N 2.63Å; I416-W537 HydrophobicContact CG2-CZ2 3.86Å
417	K	93.6	Very high	92.5	Very high	94 Å²	94	25.1 Å²	25.1	41%	0.409	13%	0.125	S	C	.	.	H	α-helix	trans	-62.5	-37	179.8	-59	178.1	177.2	176.8	0	111.5	N415 L419 Q420 Y421 D552	N415-K417 PolarHBondContact O-N 2.71Å; N415-K417 WeakPolarHBondContact OD1-CA 3.48Å; N415-K417 VanDerWaalsContact OD1-CB 3.26Å; N415-K417 WeakPolarHBondContact OD1-CB 3.48Å; N415-K417 PolarHBondContact OD1-N 3.36Å; K417-L419 VanDerWaalsContact C-N 3.31Å; K417-L419 PolarHBondContact O-N 3.31Å; K417-Q420 PolarHBondContact O-N 3.04Å; K417-Y421 WeakPolarHBondContact O-CB 3.41Å; K417-Y421 PolarHBondContact O-N 3.3Å; K417-D552 WeakPolarHBondContact CE-OD2 3.45Å; K417-D552 IonicContact NZ-OD2 3.06Å; K417-D552 PolarHBondContact NZ-OD2 2.84Å
418	L	97.1	Very high	93	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-44.2	172.5	179.5	61.3	0	0	0	111.3	F357 L360 Y414 N415 I416 Y421 L422 L458 W465	F357-L418 HydrophobicContact CD2-CD2 3.83Å; F357-L418 HydrophobicContact CE2-CD1 4.26Å; F357-L418 HydrophobicContact CE2-CD2 3.86Å; L360-L418 HydrophobicContact CD2-CD2 3.94Å; Y414-L418 VanDerWaalsContact CB-CD2 3.44Å; Y414-L418 HydrophobicContact CD2-CD2 4.41Å; Y414-L418 HydrophobicContact CG-CD2 3.91Å; N415-L418 PolarHBondContact O-N 3.42Å; N415-L418 PolarHBondContact OD1-N 2.84Å; N415-L418 VanDerWaalsContact OD1-N 3.12Å; I416-L418 VanDerWaalsContact C-N 3.28Å; I416-L418 PolarHBondContact O-N 3.16Å; L418-Y421 PolarHBondContact O-N 3.15Å; L418-L422 HydrophobicContact CD1-CD1 4.49Å; L418-L422 HydrophobicContact CD1-CG 4.35Å; L418-L422 HydrophobicContact CG-CD1 4.16Å; L418-L422 HydrophobicContact CG-CG 4.46Å; L418-L422 VanDerWaalsContact O-CG 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.31Å; L418-L422 PolarHBondContact O-N 2.96Å; L418-L458 HydrophobicContact CD1-CD1 3.86Å; L418-L458 HydrophobicContact CD1-CD2 3.79Å; L418-L458 HydrophobicContact CD1-CG 4.44Å; L418-W465 HydrophobicContact CB-CB 4.23Å; L418-W465 HydrophobicContact CB-CE3 4.17Å; L418-W465 HydrophobicContact CD1-CB 4.33Å; L418-W465 HydrophobicContact CD1-CD2 4.14Å; L418-W465 HydrophobicContact CD1-CE3 4.26Å; L418-W465 HydrophobicContact CD1-CG 4.14Å
419	L	97.5	Very high	93.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-38.8	-179.1	-52.4	-174.4	0	0	0	111.8	L360 L398 L401 R402 L405 Y414 I416 K417 L422 H423 W537	L360-L419 HydrophobicContact CD2-CD2 4.07Å; L398-L419 HydrophobicContact CD2-CD2 4.29Å; L401-L419 HydrophobicContact CB-CD1 4.24Å; L401-L419 HydrophobicContact CD2-CD1 4.41Å; L401-L419 HydrophobicContact CD2-CD2 3.65Å; L401-L419 HydrophobicContact CG-CD1 4Å; L401-L419 HydrophobicContact CG-CD2 4.16Å; R402-L419 HydrophobicContact CB-CD1 3.89Å; L405-L419 HydrophobicContact CD1-CD1 4.21Å; Y414-L419 HydrophobicContact CD2-CD2 4.18Å; Y414-L419 HydrophobicContact CE2-CD2 4.07Å; I416-L419 WeakPolarHBondContact O-CB 3.45Å; I416-L419 PolarHBondContact O-N 3.37Å; K417-L419 VanDerWaalsContact C-N 3.31Å; K417-L419 PolarHBondContact O-N 3.31Å; L419-L422 HydrophobicContact CD2-CD1 4.38Å; L419-H423 PolarHBondContact O-N 3.28Å; L419-W537 HydrophobicContact CB-CH2 3.57Å; L419-W537 HydrophobicContact CB-CZ2 3.93Å
420	Q	94.7	Very high	93.7	Very high	38 Å²	38	22.9 Å²	22.9	18%	0.178	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-43.3	173	-63.1	172.6	-67.8	0	0	111.3	I416 K417 L422 H423 D424 W537 D539	I416-Q420 HydrophobicContact CG2-CG 4.39Å; I416-Q420 PolarHBondContact O-N 2.63Å; K417-Q420 PolarHBondContact O-N 3.04Å; Q420-L422 PolarHBondContact O-N 2.71Å; Q420-H423 VanDerWaalsContact O-CB 3.3Å; Q420-H423 WeakPolarHBondContact O-CB 3.3Å; Q420-H423 PolarHBondContact O-N 2.93Å; Q420-D424 PolarHBondContact O-N 3.31Å; Q420-D424 VanDerWaalsContact O-N 3.1Å; Q420-W537 HydrophobicContact CG-CH2 4.41Å; Q420-W537 HydrophobicContact CG-CZ2 3.54Å; Q420-D539 VanDerWaalsContact NE2-C 3.34Å; Q420-D539 PolarHBondContact NE2-O 2.69Å
421	Y	95.9	Very high	94.2	Very high	46 Å²	46	21.4 Å²	21.4	18%	0.18	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-43.5	178.6	-169.7	-104.4	0	0	0	111.4	K417 L418 H423 D424 Q425 L454 Y457 L458 W465	K417-Y421 WeakPolarHBondContact O-CB 3.41Å; K417-Y421 PolarHBondContact O-N 3.3Å; L418-Y421 PolarHBondContact O-N 3.15Å; Y421-H423 VanDerWaalsContact C-N 3.27Å; Y421-H423 PolarHBondContact O-N 2.97Å; Y421-D424 PolarHBondContact O-N 2.68Å; Y421-D424 VanDerWaalsContact O-N 3.12Å; Y421-Q425 HydrophobicContact CD1-CG 3.83Å; Y421-Q425 HydrophobicContact CE1-CG 3.59Å; Y421-Q425 VanDerWaalsContact CE2-NE2 3.33Å; Y421-Q425 HydrophobicContact CG-CG 4.43Å; Y421-Q425 VanDerWaalsContact O-CG 3.3Å; Y421-Q425 WeakPolarHBondContact O-CG 3.36Å; Y421-Q425 PolarHBondContact O-N 3.14Å; Y421-Q425 PolarHBondContact OH-NE2 3.2Å; Y421-L454 HydrophobicContact CD1-CD1 4.43Å; Y421-L454 HydrophobicContact CE1-CD1 3.72Å; Y421-Y457 HydrophobicContact CE1-CD1 4.07Å; Y421-Y457 AromaticContact CE1-CE1 3.89Å; Y421-Y457 HydrophobicContact CE1-CE1 3.89Å; Y421-Y457 AromaticContact CZ-CE1 3.66Å; Y421-Y457 WeakPolarHBondContact OH-CE1 3.28Å; Y421-L458 HydrophobicContact CD1-CD2 3.77Å; Y421-L458 HydrophobicContact CE1-CD2 3.87Å; Y421-W465 HydrophobicContact CD1-CH2 4.09Å; Y421-W465 HydrophobicContact CD1-CZ2 4.43Å; Y421-W465 HydrophobicContact CD2-CH2 4.06Å; Y421-W465 AromaticContact CG-CH2 3.82Å; Y421-W465 HydrophobicContact CG-CH2 3.82Å; Y421-W465 HydrophobicContact CG-CZ3 4.17Å
422	L	97.7	Very high	94.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-57	-40.9	172.8	-72.6	170.9	0	0	0	111.9	L360 I364 L398 L418 L419 Q420 D424 Q425 I426 F434 L454 W455 L458	L360-L422 HydrophobicContact CD2-CD1 4.13Å; I364-L422 HydrophobicContact CD1-CD1 4.04Å; L398-L422 HydrophobicContact CD1-CB 4.18Å; L398-L422 HydrophobicContact CD2-CB 4.27Å; L398-L422 HydrophobicContact CD2-CD1 4.21Å; L418-L422 HydrophobicContact CD1-CD1 4.49Å; L418-L422 HydrophobicContact CD1-CG 4.35Å; L418-L422 HydrophobicContact CG-CD1 4.16Å; L418-L422 HydrophobicContact CG-CG 4.46Å; L418-L422 VanDerWaalsContact O-CG 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.31Å; L418-L422 PolarHBondContact O-N 2.96Å; L419-L422 HydrophobicContact CD2-CD1 4.38Å; Q420-L422 PolarHBondContact O-N 2.71Å; L422-D424 VanDerWaalsContact C-N 3.34Å; L422-D424 PolarHBondContact O-N 2.94Å; L422-Q425 PolarHBondContact O-N 3.03Å; L422-I426 PolarHBondContact O-N 3.17Å; L422-I426 VanDerWaalsContact O-N 3.13Å; L422-F434 HydrophobicContact CD2-CE2 4.32Å; L422-F434 HydrophobicContact CD2-CZ 4.05Å; L422-L454 HydrophobicContact CD2-CD2 3.9Å; L422-W455 HydrophobicContact CD2-CH2 4.34Å; L422-W455 HydrophobicContact CD2-CZ3 4.06Å; L422-L458 HydrophobicContact CD2-CD1 4.32Å
423	H	97.4	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.8	177.6	-84.6	0	0	0	112	F72 T395 L398 L419 Q420 Y421 I426 Y427 L540	F72-H423 AromaticContact CE2-CE1 3.76Å; F72-H423 AromaticContact CE2-NE2 3.63Å; F72-H423 AromaticContact CZ-CE1 3.76Å; F72-H423 AromaticContact CZ-NE2 3.42Å; F72-H423 WeakPolarHBondContact CZ-NE2 3.48Å; T395-H423 PolarHBondContact OG1-CD2 3.35Å; T395-H423 VanDerWaalsContact OG1-CD2 3.29Å; T395-H423 PolarHBondContact OG1-NE2 2.92Å; L398-H423 HydrophobicContact CD1-CB 3.86Å; L419-H423 PolarHBondContact O-N 3.28Å; Q420-H423 VanDerWaalsContact O-CB 3.3Å; Q420-H423 WeakPolarHBondContact O-CB 3.3Å; Q420-H423 PolarHBondContact O-N 2.93Å; Y421-H423 VanDerWaalsContact C-N 3.27Å; Y421-H423 PolarHBondContact O-N 2.97Å; H423-I426 WeakPolarHBondContact O-CG1 3.31Å; H423-Y427 AromaticContact CE1-CE2 3.55Å; H423-Y427 AromaticContact NE2-CE2 3.55Å; H423-Y427 WeakPolarHBondContact O-CD2 3.37Å; H423-L540 HydrophobicContact CB-CD1 4.32Å
424	D	94.9	Very high	95.1	Very high	43 Å²	43	18.3 Å²	18.3	23%	0.23	9%	0.088	C	C	.	.	H	α-helix	trans	-69.9	-37.3	178.1	-67.8	-12.1	0	0	0	111.6	Q420 Y421 L422 I426 Y427 S428	Q420-D424 PolarHBondContact O-N 3.31Å; Q420-D424 VanDerWaalsContact O-N 3.1Å; Y421-D424 PolarHBondContact O-N 2.68Å; Y421-D424 VanDerWaalsContact O-N 3.12Å; L422-D424 VanDerWaalsContact C-N 3.34Å; L422-D424 PolarHBondContact O-N 2.94Å; D424-I426 PolarHBondContact O-N 3.14Å; D424-Y427 PolarHBondContact O-N 3.01Å; D424-Y427 VanDerWaalsContact O-N 3.1Å; D424-S428 WeakPolarHBondContact O-CB 3.26Å; D424-S428 PolarHBondContact O-N 3.01Å
425	Q	95.5	Very high	95.1	Very high	22 Å²	22	18.3 Å²	18.3	10%	0.103	9%	0.088	C	C	.	.	H	α-helix	trans	-69.4	-27.6	-177.6	-64.8	-42.3	-47.9	0	0	114.5	Y421 L422 Y427 S428 F434 L454	Y421-Q425 HydrophobicContact CD1-CG 3.83Å; Y421-Q425 HydrophobicContact CE1-CG 3.59Å; Y421-Q425 VanDerWaalsContact CE2-NE2 3.33Å; Y421-Q425 HydrophobicContact CG-CG 4.43Å; Y421-Q425 VanDerWaalsContact O-CG 3.3Å; Y421-Q425 WeakPolarHBondContact O-CG 3.36Å; Y421-Q425 PolarHBondContact O-N 3.14Å; Y421-Q425 PolarHBondContact OH-NE2 3.2Å; L422-Q425 PolarHBondContact O-N 3.03Å; Q425-Y427 PolarHBondContact O-N 2.88Å; Q425-S428 PolarHBondContact O-OG 3.33Å; Q425-S428 PolarHBondContact OE1-OG 2.86Å; Q425-F434 HydrophobicContact CB-CD2 4.31Å; Q425-F434 HydrophobicContact CB-CE2 4.15Å; Q425-L454 HydrophobicContact CB-CD2 3.81Å; Q425-L454 HydrophobicContact CG-CD1 3.83Å; Q425-L454 HydrophobicContact CG-CD2 3.97Å
426	I	96.3	Very high	95.3	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-20.1	172.8	60	160.1	0	0	0	112.5	F375 F394 L422 H423 D424 F434	F375-I426 HydrophobicContact CD1-CG2 4.21Å; F375-I426 HydrophobicContact CE1-CG2 3.85Å; F394-I426 HydrophobicContact CB-CD1 4.22Å; F394-I426 HydrophobicContact CD1-CD1 4.01Å; F394-I426 HydrophobicContact CD1-CG2 3.74Å; F394-I426 HydrophobicContact CE1-CG2 3.84Å; F394-I426 HydrophobicContact CG-CG2 4.47Å; L422-I426 PolarHBondContact O-N 3.17Å; L422-I426 VanDerWaalsContact O-N 3.13Å; H423-I426 WeakPolarHBondContact O-CG1 3.31Å; D424-I426 PolarHBondContact O-N 3.14Å; I426-F434 HydrophobicContact CB-CD2 4.36Å; I426-F434 HydrophobicContact CB-CG 4.45Å; I426-F434 HydrophobicContact CG2-CB 4.29Å; I426-F434 HydrophobicContact CG2-CD1 4.01Å; I426-F434 HydrophobicContact CG2-CD2 3.64Å; I426-F434 HydrophobicContact CG2-CE1 4.22Å; I426-F434 HydrophobicContact CG2-CE2 3.84Å; I426-F434 HydrophobicContact CG2-CG 3.72Å; I426-F434 HydrophobicContact CG2-CZ 4.15Å
427	Y	94.5	Very high	95.5	Very high	20 Å²	20	16.6 Å²	16.6	8%	0.078	8%	0.081	C	C	.	.	H	α-helix	trans	-105	-26.8	-179	-66.3	-59.9	0	0	0	113.7	K70 C379 T395 H423 D424 Q425 A429	K70-Y427 HydrophobicContact CB-CD1 4.06Å; K70-Y427 HydrophobicContact CB-CD2 4.04Å; K70-Y427 HydrophobicContact CB-CG 3.75Å; K70-Y427 HydrophobicContact CD-CD1 3.71Å; K70-Y427 HydrophobicContact CD-CG 3.86Å; K70-Y427 HydrophobicContact CG-CD1 4.28Å; K70-Y427 HydrophobicContact CG-CG 4.36Å; C379-Y427 HydrophobicContact CB-CD1 3.82Å; C379-Y427 HydrophobicContact CB-CE1 3.87Å; T395-Y427 PolarHBondContact OG1-OH 3.12Å; H423-Y427 AromaticContact CE1-CE2 3.55Å; H423-Y427 AromaticContact NE2-CE2 3.55Å; H423-Y427 WeakPolarHBondContact O-CD2 3.37Å; D424-Y427 PolarHBondContact O-N 3.01Å; D424-Y427 VanDerWaalsContact O-N 3.1Å; Q425-Y427 PolarHBondContact O-N 2.88Å; Y427-A429 VanDerWaalsContact C-N 3.34Å; Y427-A429 PolarHBondContact O-N 2.69Å
428	S	91.9	Very high	95.6	Very high	8 Å²	8	12.7 Å²	12.7	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-69.6	-30.7	-174.6	78.6	0	0	0	0	113	Q48 D424 Q425 V430	Q48-S428 WeakPolarHBondContact CB-O 3.45Å; Q48-S428 WeakPolarHBondContact CG-O 3.47Å; D424-S428 WeakPolarHBondContact O-CB 3.26Å; D424-S428 PolarHBondContact O-N 3.01Å; Q425-S428 PolarHBondContact O-OG 3.33Å; Q425-S428 PolarHBondContact OE1-OG 2.86Å; S428-V430 PolarHBondContact O-N 2.99Å; S428-V430 PolarHBondContact OG-N 3.41Å
429	A	92.1	Very high	95.6	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.025	7%	0.069	C	C	.	.			trans	49.5	28.6	-172.1	0	0	0	0	0	113.7	L104 C106 L381 Y427 I435	L104-A429 HydrophobicContact CB-CB 4.37Å; L104-A429 HydrophobicContact CD1-CB 4.42Å; L104-A429 HydrophobicContact CD2-CB 3.87Å; L104-A429 HydrophobicContact CG-CB 4.47Å; C106-A429 VanDerWaalsContact CB-O 3.25Å; C106-A429 WeakPolarHBondContact CB-O 3.4Å; C106-A429 PolarHBondContact N-O 3.09Å; L381-A429 HydrophobicContact CD1-CB 4.4Å; Y427-A429 VanDerWaalsContact C-N 3.34Å; Y427-A429 PolarHBondContact O-N 2.69Å; A429-I435 HydrophobicContact CB-CD1 3.89Å
430	V	92.2	Very high	95.6	Very high	38 Å²	38	17.7 Å²	17.7	23%	0.23	9%	0.087	C	C	.	.			trans	-77.4	-35.3	176.6	171.2	0	0	0	0	110.8	C106 P111 S428	C106-V430 WeakPolarHBondContact CA-O 3.35Å; C106-V430 VanDerWaalsContact CB-O 3.22Å; C106-V430 WeakPolarHBondContact CB-O 3.16Å; P111-V430 HydrophobicContact CB-CG1 3.55Å; P111-V430 HydrophobicContact CG-CG1 3.85Å; P111-V430 WeakPolarHBondContact CG-O 3.38Å; S428-V430 PolarHBondContact O-N 2.99Å; S428-V430 PolarHBondContact OG-N 3.41Å
431	F	95	Very high	95.7	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.044	9%	0.092	C	C	.	.	S	Bend	trans	-104.7	156	173	-60.3	-82.1	0	0	0	111	P111 T433 L454 Y457	P111-F431 HydrophobicContact CB-CD1 4.47Å; P111-F431 HydrophobicContact CB-CE1 3.87Å; P111-F431 HydrophobicContact CB-CZ 4.06Å; P111-F431 HydrophobicContact CG-CD1 4.07Å; P111-F431 HydrophobicContact CG-CE1 3.92Å; F431-T433 VanDerWaalsContact C-N 3.26Å; F431-T433 PolarHBondContact O-N 3.29Å; F431-L454 HydrophobicContact CB-CB 3.93Å; F431-L454 HydrophobicContact CD1-CB 4.45Å; F431-L454 HydrophobicContact CD2-CB 4.17Å; F431-L454 HydrophobicContact CD2-CD1 3.76Å; F431-L454 HydrophobicContact CE2-CD1 3.8Å; F431-L454 HydrophobicContact CG-CB 3.93Å; F431-L454 HydrophobicContact CG-CD1 4.32Å; F431-L454 HydrophobicContact CZ-CD1 4.41Å; F431-Y457 HydrophobicContact CE1-CG 4.33Å; F431-Y457 HydrophobicContact CZ-CD1 4.39Å; F431-Y457 AromaticContact CZ-CD2 3.93Å; F431-Y457 HydrophobicContact CZ-CD2 3.93Å; F431-Y457 AromaticContact CZ-CG 3.76Å; F431-Y457 HydrophobicContact CZ-CG 3.76Å
432	G	96.2	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-73.5	-15.2	176.6	0	0	0	0	0	114.7	F434 I435 V447 T451 Y452	G432-F434 VanDerWaalsContact C-N 3.27Å; G432-F434 PolarHBondContact O-N 3.03Å; G432-F434 VanDerWaalsContact O-N 3.15Å; G432-I435 WeakPolarHBondContact O-CB 3.1Å; G432-I435 WeakPolarHBondContact O-CG1 3.49Å; G432-I435 PolarHBondContact O-N 2.91Å; G432-I435 VanDerWaalsContact O-N 3.1Å; G432-V447 WeakPolarHBondContact O-CG1 3.45Å; G432-T451 VanDerWaalsContact CA-OG1 3.25Å; G432-T451 WeakPolarHBondContact CA-OG1 3.46Å; G432-Y452 PolarHBondContact N-O 2.82Å
433	T	97.3	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.6	-167.9	-60.4	0	0	0	0	113.6	I369 F431 R442 L454 W455	I369-T433 HydrophobicContact CD1-CG2 3.87Å; I369-T433 VanDerWaalsContact CD1-O 3.25Å; I369-T433 WeakPolarHBondContact CD1-O 3.33Å; F431-T433 VanDerWaalsContact C-N 3.26Å; F431-T433 PolarHBondContact O-N 3.29Å; T433-R442 PolarHBondContact O-NH1 2.76Å; T433-R442 PolarHBondContact O-NH2 2.73Å; T433-L454 HydrophobicContact CG2-CB 4.24Å; T433-L454 WeakPolarHBondContact OG1-CB 3.29Å; T433-L454 PolarHBondContact OG1-N 3.31Å; T433-W455 HydrophobicContact CG2-CD2 4.27Å; T433-W455 VanDerWaalsContact CG2-CE2 3.44Å; T433-W455 HydrophobicContact CG2-CH2 4.11Å; T433-W455 HydrophobicContact CG2-CZ2 3.35Å
434	F	97.2	Very high	95.7	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.022	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	29.1	-178.4	-57.8	-59.6	0	0	0	113.6	I364 I369 F375 F394 L422 Q425 I426 G432 L454 W455	I364-F434 HydrophobicContact CG2-CE1 3.71Å; I364-F434 HydrophobicContact CG2-CZ 4.31Å; I369-F434 HydrophobicContact CD1-CD1 4.34Å; I369-F434 HydrophobicContact CD1-CE1 4.31Å; F375-F434 WeakPolarHBondContact CB-O 3.22Å; F375-F434 HydrophobicContact CD1-CB 4.03Å; F375-F434 HydrophobicContact CD1-CD1 4.04Å; F375-F434 HydrophobicContact CD1-CG 4.35Å; F375-F434 HydrophobicContact CD2-CD1 4.38Å; F375-F434 HydrophobicContact CE1-CB 4.41Å; F375-F434 AromaticContact CE1-CD1 3.58Å; F375-F434 HydrophobicContact CE1-CD1 3.58Å; F375-F434 HydrophobicContact CE1-CE1 4.17Å; F375-F434 HydrophobicContact CE1-CG 4.24Å; F375-F434 AromaticContact CE2-CD1 3.95Å; F375-F434 HydrophobicContact CE2-CD1 3.95Å; F375-F434 HydrophobicContact CG-CB 4.18Å; F375-F434 HydrophobicContact CG-CD1 4.43Å; F375-F434 AromaticContact CZ-CD1 3.53Å; F375-F434 HydrophobicContact CZ-CD1 3.53Å; F375-F434 AromaticContact CZ-CE1 3.94Å; F375-F434 HydrophobicContact CZ-CE1 3.94Å; F394-F434 HydrophobicContact CZ-CE1 4.44Å; L422-F434 HydrophobicContact CD2-CE2 4.32Å; L422-F434 HydrophobicContact CD2-CZ 4.05Å; Q425-F434 HydrophobicContact CB-CD2 4.31Å; Q425-F434 HydrophobicContact CB-CE2 4.15Å; I426-F434 HydrophobicContact CB-CD2 4.36Å; I426-F434 HydrophobicContact CB-CG 4.45Å; I426-F434 HydrophobicContact CG2-CB 4.29Å; I426-F434 HydrophobicContact CG2-CD1 4.01Å; I426-F434 HydrophobicContact CG2-CD2 3.64Å; I426-F434 HydrophobicContact CG2-CE1 4.22Å; I426-F434 HydrophobicContact CG2-CE2 3.84Å; I426-F434 HydrophobicContact CG2-CG 3.72Å; I426-F434 HydrophobicContact CG2-CZ 4.15Å; G432-F434 VanDerWaalsContact C-N 3.27Å; G432-F434 PolarHBondContact O-N 3.03Å; G432-F434 VanDerWaalsContact O-N 3.15Å; F434-L454 HydrophobicContact CD2-CD2 4.31Å; F434-L454 HydrophobicContact CE2-CD2 3.43Å; F434-L454 VanDerWaalsContact CE2-CD2 3.43Å; F434-L454 HydrophobicContact CZ-CD2 4.08Å; F434-W455 HydrophobicContact CE1-CH2 4.46Å; F434-W455 AromaticContact CZ-CH2 4Å; F434-W455 HydrophobicContact CZ-CH2 4Å; F434-W455 HydrophobicContact CZ-CZ2 4.47Å
435	I	96	Very high	95.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.14	C	C	.	.			trans	-100.7	142.9	179.2	-53.3	-49.9	0	0	0	111.1	V101 L104 Y107 L381 A429 G432 R442	V101-I435 HydrophobicContact CG1-CG2 3.35Å; L104-I435 HydrophobicContact CD1-CD1 3.82Å; L104-I435 HydrophobicContact CD1-CG2 4.04Å; Y107-I435 HydrophobicContact CE2-CG2 4.33Å; L381-I435 HydrophobicContact CD1-CD1 3.81Å; A429-I435 HydrophobicContact CB-CD1 3.89Å; G432-I435 WeakPolarHBondContact O-CB 3.1Å; G432-I435 WeakPolarHBondContact O-CG1 3.49Å; G432-I435 PolarHBondContact O-N 2.91Å; G432-I435 VanDerWaalsContact O-N 3.1Å; I435-R442 VanDerWaalsContact O-CG 3.23Å; I435-R442 WeakPolarHBondContact O-CG 3.32Å; I435-R442 PolarHBondContact O-NH1 2.97Å
436	G	95.5	Very high	95.8	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	90.6	172.7	-179	0	0	0	0	0	113.5	F375 T376	F375-G436 PolarHBondContact N-O 3.31Å; T376-G436 PolarHBondContact N-O 2.9Å; T376-G436 WeakPolarHBondContact OG1-CA 3.49Å; T376-G436 PolarHBondContact OG1-N 3.4Å
437	C	96.3	Very high	95.8	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.074	17%	0.166	C	C	.	.	S	Bend	trans	-114.8	-5.1	178.7	-68.8	0	0	0	0	113.7	G372 K374 E441	G372-C437 CarbonylContact C-O 3.48Å; K374-C437 HydrophobicContact CB-CB 4.1Å; K374-C437 HydrophobicContact CG-CB 4Å; C437-E441 WeakPolarHBondContact CA-OE2 3.5Å; C437-E441 VanDerWaalsContact CB-OE2 3.25Å; C437-E441 WeakPolarHBondContact CB-OE2 3.31Å; C437-E441 PolarHBondContact N-OE2 2.67Å
438	S	97.1	Very high	95.8	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.084	18%	0.181	C	C	.	.	S	Bend	trans	-160.5	161.4	176.1	62.5	0	0	0	0	111.2	K440 E441 R442	S438-K440 VanDerWaalsContact C-N 3.29Å; S438-K440 PolarHBondContact O-N 2.92Å; S438-E441 PolarHBondContact O-N 2.86Å; S438-E441 WeakPolarHBondContact OG-CB 3.11Å; S438-E441 PolarHBondContact OG-N 2.65Å; S438-E441 VanDerWaalsContact OG-N 3.17Å; S438-R442 VanDerWaalsContact O-CG 3.3Å; S438-R442 WeakPolarHBondContact O-CG 3.27Å; S438-R442 PolarHBondContact O-N 2.71Å
439	E	96.3	Very high	95.9	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-37.5	173.8	-175.6	59	-170.2	0	0	112.4	F150 E441 R442 I443	F150-E439 HydrophobicContact CE1-CB 4.2Å; F150-E439 HydrophobicContact CE1-CG 4.4Å; F150-E439 HydrophobicContact CZ-CB 4.38Å; F150-E439 HydrophobicContact CZ-CG 4.15Å; E439-E441 VanDerWaalsContact C-N 3.33Å; E439-E441 PolarHBondContact O-N 2.81Å; E439-R442 PolarHBondContact O-N 3.1Å; E439-R442 IonicContact OE2-NE 2.77Å; E439-I443 HydrophobicContact CG-CD1 4.2Å; E439-I443 WeakPolarHBondContact O-CG1 3.42Å; E439-I443 PolarHBondContact O-N 3.34Å
440	K	97.7	Very high	96	Very high	88 Å²	88	45.5 Å²	45.5	38%	0.383	22%	0.216	S	C	.	.	H	α-helix	trans	-56.6	-47.4	174.2	-172.8	-175.4	-171.1	168.5	0	111.8	F150 D154 S438 I443 H444	F150-K440 HydrophobicContact CB-CB 4.28Å; F150-K440 HydrophobicContact CB-CD 3.64Å; F150-K440 HydrophobicContact CB-CG 4.01Å; F150-K440 HydrophobicContact CD1-CB 3.69Å; F150-K440 HydrophobicContact CD1-CG 4.29Å; F150-K440 HydrophobicContact CD2-CB 3.92Å; F150-K440 HydrophobicContact CD2-CD 4.34Å; F150-K440 HydrophobicContact CD2-CG 3.75Å; F150-K440 HydrophobicContact CE1-CB 3.88Å; F150-K440 HydrophobicContact CE2-CB 4.11Å; F150-K440 HydrophobicContact CE2-CG 4.26Å; F150-K440 HydrophobicContact CG-CB 3.7Å; F150-K440 HydrophobicContact CG-CD 3.97Å; F150-K440 HydrophobicContact CG-CG 3.76Å; F150-K440 HydrophobicContact CZ-CB 4.09Å; D154-K440 HydrophobicContact CB-CD 3.69Å; D154-K440 WeakPolarHBondContact O-CB 3.47Å; S438-K440 VanDerWaalsContact C-N 3.29Å; S438-K440 PolarHBondContact O-N 2.92Å; K440-I443 PolarHBondContact O-N 3.09Å; K440-H444 PolarHBondContact O-N 3.1Å
441	E	96.6	Very high	96.1	Very high	59 Å²	59	43.7 Å²	43.7	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-41.7	179.3	-171.6	-172.4	175.7	0	0	111.4	C437 S438 E439 I443 H444 L445	C437-E441 WeakPolarHBondContact CA-OE2 3.5Å; C437-E441 VanDerWaalsContact CB-OE2 3.25Å; C437-E441 WeakPolarHBondContact CB-OE2 3.31Å; C437-E441 PolarHBondContact N-OE2 2.67Å; S438-E441 PolarHBondContact O-N 2.86Å; S438-E441 WeakPolarHBondContact OG-CB 3.11Å; S438-E441 PolarHBondContact OG-N 2.65Å; S438-E441 VanDerWaalsContact OG-N 3.17Å; E439-E441 VanDerWaalsContact C-N 3.33Å; E439-E441 PolarHBondContact O-N 2.81Å; E441-I443 VanDerWaalsContact C-N 3.32Å; E441-I443 PolarHBondContact O-N 3Å; E441-H444 WeakPolarHBondContact O-CB 3.4Å; E441-H444 PolarHBondContact O-N 2.87Å; E441-H444 VanDerWaalsContact O-N 3.15Å; E441-L445 HydrophobicContact CG-CD1 3.81Å; E441-L445 HydrophobicContact CG-CG 4.29Å; E441-L445 WeakPolarHBondContact O-CB 3.31Å; E441-L445 VanDerWaalsContact O-CG 3.28Å; E441-L445 WeakPolarHBondContact O-CG 3.46Å; E441-L445 PolarHBondContact O-N 3.09Å
442	R	97.1	Very high	96.2	Very high	10 Å²	10	44.6 Å²	44.6	4%	0.038	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-40.8	177.4	-70.2	167.2	67	99.6	-11.9	112.5	T433 I435 S438 E439 R446 V447	T433-R442 PolarHBondContact O-NH1 2.76Å; T433-R442 PolarHBondContact O-NH2 2.73Å; I435-R442 VanDerWaalsContact O-CG 3.23Å; I435-R442 WeakPolarHBondContact O-CG 3.32Å; I435-R442 PolarHBondContact O-NH1 2.97Å; S438-R442 VanDerWaalsContact O-CG 3.3Å; S438-R442 WeakPolarHBondContact O-CG 3.27Å; S438-R442 PolarHBondContact O-N 2.71Å; E439-R442 PolarHBondContact O-N 3.1Å; E439-R442 IonicContact OE2-NE 2.77Å; R442-R446 PolarHBondContact O-N 2.66Å; R442-R446 VanDerWaalsContact O-N 3.12Å; R442-V447 HydrophobicContact CB-CB 4.43Å; R442-V447 HydrophobicContact CB-CG2 4.01Å; R442-V447 HydrophobicContact CG-CG2 4.19Å; R442-V447 WeakPolarHBondContact O-CG2 3.28Å; R442-V447 PolarHBondContact O-N 3.09Å
443	I	96.5	Very high	96.2	Very high	90 Å²	90	44.6 Å²	44.6	46%	0.462	21%	0.208	S	C	.	.	H	α-helix	trans	-64.1	-46.8	173.7	-67.8	167.3	0	0	0	110.4	F150 E439 K440 E441 L445 R446	F150-I443 HydrophobicContact CE2-CD1 3.84Å; F150-I443 HydrophobicContact CZ-CD1 3.76Å; E439-I443 HydrophobicContact CG-CD1 4.2Å; E439-I443 WeakPolarHBondContact O-CG1 3.42Å; E439-I443 PolarHBondContact O-N 3.34Å; K440-I443 PolarHBondContact O-N 3.09Å; E441-I443 VanDerWaalsContact C-N 3.32Å; E441-I443 PolarHBondContact O-N 3Å; I443-L445 VanDerWaalsContact C-N 3.3Å; I443-L445 PolarHBondContact O-N 3Å; I443-R446 PolarHBondContact O-N 2.76Å
444	H	96.5	Very high	96.1	Very high	157 Å²	157	44.6 Å²	44.6	73%	0.727	21%	0.208	S	C	*	.	H	α-helix	trans	-59.8	-40.9	178.6	180	71.1	0	0	0	112.4	K440 E441 R446	K440-H444 PolarHBondContact O-N 3.1Å; E441-H444 WeakPolarHBondContact O-CB 3.4Å; E441-H444 PolarHBondContact O-N 2.87Å; E441-H444 VanDerWaalsContact O-N 3.15Å; H444-R446 PolarHBondContact O-N 2.89Å
445	L	96	Very high	96	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.204	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.2	176.6	-68	170.4	0	0	0	113.7	V101 Y107 E441 I443 V447	V101-L445 HydrophobicContact CB-CD1 4.17Å; V101-L445 HydrophobicContact CB-CD2 4.27Å; V101-L445 HydrophobicContact CG1-CD1 3.61Å; V101-L445 HydrophobicContact CG1-CD2 4.37Å; Y107-L445 PolarHBondContact OH-O 3.46Å; E441-L445 HydrophobicContact CG-CD1 3.81Å; E441-L445 HydrophobicContact CG-CG 4.29Å; E441-L445 WeakPolarHBondContact O-CB 3.31Å; E441-L445 VanDerWaalsContact O-CG 3.28Å; E441-L445 WeakPolarHBondContact O-CG 3.46Å; E441-L445 PolarHBondContact O-N 3.09Å; I443-L445 VanDerWaalsContact C-N 3.3Å; I443-L445 PolarHBondContact O-N 3Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 HydrophobicContact CB-CG2 4.06Å; L445-V447 PolarHBondContact O-N 2.9Å
446	R	96.7	Very high	95.9	Very high	173 Å²	173	44.7 Å²	44.7	65%	0.653	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	42.4	-176.8	-54.9	179.8	-177.4	175.5	-0.2	112.6	R442 I443 H444 Q448 Q449 S450	R442-R446 PolarHBondContact O-N 2.66Å; R442-R446 VanDerWaalsContact O-N 3.12Å; I443-R446 PolarHBondContact O-N 2.76Å; H444-R446 PolarHBondContact O-N 2.89Å; R446-Q448 PolarHBondContact O-N 2.87Å; R446-Q449 VanDerWaalsContact C-OE1 3.3Å; R446-Q449 VanDerWaalsContact CA-OE1 3.26Å; R446-Q449 HydrophobicContact CB-CB 4.47Å; R446-Q449 PolarHBondContact O-N 3.02Å; R446-Q449 PolarHBondContact O-OE1 3.35Å; R446-S450 WeakPolarHBondContact O-CB 3.47Å; R446-S450 PolarHBondContact O-N 3.25Å; R446-S450 PolarHBondContact O-OG 2.87Å
447	V	96.3	Very high	95.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-54.5	-51.4	-175.2	172.8	0	0	0	0	110.8	Y107 W122 G432 R442 L445 Q449 S450 T451	Y107-V447 WeakPolarHBondContact OH-CG2 3.42Å; W122-V447 HydrophobicContact CH2-CG1 3.74Å; W122-V447 HydrophobicContact CZ2-CG1 4.13Å; G432-V447 WeakPolarHBondContact O-CG1 3.45Å; R442-V447 HydrophobicContact CB-CB 4.43Å; R442-V447 HydrophobicContact CB-CG2 4.01Å; R442-V447 HydrophobicContact CG-CG2 4.19Å; R442-V447 WeakPolarHBondContact O-CG2 3.28Å; R442-V447 PolarHBondContact O-N 3.09Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 HydrophobicContact CB-CG2 4.06Å; L445-V447 PolarHBondContact O-N 2.9Å; V447-Q449 VanDerWaalsContact C-N 3.3Å; V447-Q449 PolarHBondContact O-N 3.27Å; V447-S450 PolarHBondContact O-N 2.83Å; V447-T451 WeakPolarHBondContact O-CB 3.17Å; V447-T451 PolarHBondContact O-N 3.06Å; V447-T451 PolarHBondContact O-OG1 3.45Å
448	Q	94.6	Very high	95.8	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-35.8	-176.1	-64.5	-178.9	-8.7	0	0	112.8	W122 R446	W122-Q448 HydrophobicContact CD2-CB 4.1Å; W122-Q448 HydrophobicContact CD2-CG 3.84Å; W122-Q448 HydrophobicContact CE3-CG 3.76Å; W122-Q448 HydrophobicContact CG-CB 4.15Å; W122-Q448 HydrophobicContact CG-CG 4.21Å; W122-Q448 HydrophobicContact CZ3-CG 4.24Å; W122-Q448 PolarHBondContact NE1-O 2.97Å; R446-Q448 PolarHBondContact O-N 2.87Å
449	Q	93.8	Very high	95.6	Very high	119 Å²	119	47.4 Å²	47.4	56%	0.556	22%	0.22	S	C	*	.	H	α-helix	trans	-82.6	-25.5	-178.9	-59.4	77.6	15.8	0	0	112.4	R118 R446 V447	R118-Q449 WeakPolarHBondContact CD-O 3.24Å; R118-Q449 PolarHBondContact NH1-O 3.06Å; R446-Q449 VanDerWaalsContact C-OE1 3.3Å; R446-Q449 VanDerWaalsContact CA-OE1 3.26Å; R446-Q449 HydrophobicContact CB-CB 4.47Å; R446-Q449 PolarHBondContact O-N 3.02Å; R446-Q449 PolarHBondContact O-OE1 3.35Å; V447-Q449 VanDerWaalsContact C-N 3.3Å; V447-Q449 PolarHBondContact O-N 3.27Å
450	S	94.6	Very high	95.4	Very high	37 Å²	37	52.6 Å²	52.6	26%	0.259	24%	0.239	S	C	.	.	H	α-helix	trans	-104	-13.2	-169.1	-49.6	0	0	0	0	113.5	R118 R446 V447	R118-S450 PolarHBondContact NH1-O 3.08Å; R446-S450 WeakPolarHBondContact O-CB 3.47Å; R446-S450 PolarHBondContact O-N 3.25Å; R446-S450 PolarHBondContact O-OG 2.87Å; V447-S450 PolarHBondContact O-N 2.83Å
451	T	95.5	Very high	95.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-139.4	163.2	-170.8	72.6	0	0	0	0	112	C106 Y107 R118 W122 G432 V447	C106-T451 HydrophobicContact CB-CG2 4.02Å; C106-T451 WeakPolarHBondContact O-CG2 3.27Å; Y107-T451 HydrophobicContact CD1-CG2 3.8Å; Y107-T451 HydrophobicContact CD2-CG2 4.2Å; Y107-T451 HydrophobicContact CE1-CG2 3.7Å; Y107-T451 HydrophobicContact CE2-CG2 4.09Å; Y107-T451 HydrophobicContact CG-CG2 4.05Å; R118-T451 WeakPolarHBondContact CG-O 3.42Å; W122-T451 WeakPolarHBondContact CZ2-OG1 3.46Å; W122-T451 PolarHBondContact NE1-O 3.02Å; G432-T451 VanDerWaalsContact CA-OG1 3.25Å; G432-T451 WeakPolarHBondContact CA-OG1 3.46Å; V447-T451 WeakPolarHBondContact O-CB 3.17Å; V447-T451 PolarHBondContact O-N 3.06Å; V447-T451 PolarHBondContact O-OG1 3.45Å
452	Y	95.8	Very high	95	Very high	28 Å²	28	53.2 Å²	53.2	11%	0.11	24%	0.237	C	C	.	.			trans	-86.8	145.7	174.3	-72	-97.7	0	0	0	111.7	V110 P111 C114 W116 R118 G432	V110-Y452 HydrophobicContact CB-CE2 4.49Å; V110-Y452 HydrophobicContact CG1-CE2 3.93Å; V110-Y452 HydrophobicContact CG2-CE2 4.32Å; P111-Y452 VanDerWaalsContact CD-CD2 3.49Å; P111-Y452 HydrophobicContact CG-CD2 4.23Å; P111-Y452 HydrophobicContact CG-CG 4.33Å; C114-Y452 HydrophobicContact CB-CD1 4.13Å; C114-Y452 HydrophobicContact CB-CE1 4.15Å; W116-Y452 WeakPolarHBondContact O-CE1 3.12Å; R118-Y452 HydrophobicContact CB-CE1 4.3Å; G432-Y452 PolarHBondContact N-O 2.82Å
453	S	95.7	Very high	94.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	27%	0.273	C	S	.	.			trans	-82.4	135.3	172.5	-178.3	0	0	0	0	111.6	G121 W455 G456	G121-S453 VanDerWaalsContact C-CB 3.44Å; G121-S453 WeakPolarHBondContact O-CB 3.12Å; G121-S453 PolarHBondContact O-OG 3.34Å; S453-W455 PolarHBondContact O-N 3Å; S453-W455 WeakPolarHBondContact OG-CB 3.4Å; S453-W455 VanDerWaalsContact OG-CD1 3.26Å; S453-W455 PolarHBondContact OG-N 3.36Å; S453-W455 VanDerWaalsContact OG-N 3.17Å; S453-G456 PolarHBondContact O-N 3.17Å
454	L	96.4	Very high	94.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-34.2	168.9	174.7	59.4	0	0	0	111.6	Y421 L422 Q425 F431 T433 F434 G456 Y457 L458	Y421-L454 HydrophobicContact CD1-CD1 4.43Å; Y421-L454 HydrophobicContact CE1-CD1 3.72Å; L422-L454 HydrophobicContact CD2-CD2 3.9Å; Q425-L454 HydrophobicContact CB-CD2 3.81Å; Q425-L454 HydrophobicContact CG-CD1 3.83Å; Q425-L454 HydrophobicContact CG-CD2 3.97Å; F431-L454 HydrophobicContact CB-CB 3.93Å; F431-L454 HydrophobicContact CD1-CB 4.45Å; F431-L454 HydrophobicContact CD2-CB 4.17Å; F431-L454 HydrophobicContact CD2-CD1 3.76Å; F431-L454 HydrophobicContact CE2-CD1 3.8Å; F431-L454 HydrophobicContact CG-CB 3.93Å; F431-L454 HydrophobicContact CG-CD1 4.32Å; F431-L454 HydrophobicContact CZ-CD1 4.41Å; T433-L454 HydrophobicContact CG2-CB 4.24Å; T433-L454 WeakPolarHBondContact OG1-CB 3.29Å; T433-L454 PolarHBondContact OG1-N 3.31Å; F434-L454 HydrophobicContact CD2-CD2 4.31Å; F434-L454 HydrophobicContact CE2-CD2 3.43Å; F434-L454 VanDerWaalsContact CE2-CD2 3.43Å; F434-L454 HydrophobicContact CZ-CD2 4.08Å; L454-G456 VanDerWaalsContact C-N 3.28Å; L454-G456 PolarHBondContact O-N 3.3Å; L454-Y457 WeakPolarHBondContact O-CB 3.41Å; L454-Y457 PolarHBondContact O-N 3.39Å; L454-L458 HydrophobicContact CD1-CD1 4.17Å; L454-L458 HydrophobicContact CD1-CD2 4.36Å; L454-L458 HydrophobicContact CD1-CG 3.88Å; L454-L458 HydrophobicContact CD2-CD1 4.22Å; L454-L458 HydrophobicContact CG-CD1 3.83Å; L454-L458 HydrophobicContact CG-CG 4.02Å; L454-L458 WeakPolarHBondContact O-CG 3.41Å; L454-L458 PolarHBondContact O-N 2.92Å
455	W	95.5	Very high	94.2	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-37	-178.8	-48.9	135.9	0	0	0	111.9	Q361 I364 E365 I369 L422 T433 F434 S453 Y457 L458 N459	Q361-W455 HydrophobicContact CB-CD2 4.07Å; Q361-W455 HydrophobicContact CB-CE3 3.85Å; Q361-W455 HydrophobicContact CB-CH2 4.45Å; Q361-W455 HydrophobicContact CB-CZ3 4.07Å; Q361-W455 HydrophobicContact CG-CD2 4.14Å; Q361-W455 HydrophobicContact CG-CE3 3.48Å; Q361-W455 VanDerWaalsContact CG-CE3 3.48Å; Q361-W455 HydrophobicContact CG-CZ3 3.74Å; I364-W455 HydrophobicContact CB-CH2 4.18Å; I364-W455 HydrophobicContact CB-CZ2 4.37Å; I364-W455 HydrophobicContact CD1-CH2 4.24Å; I364-W455 HydrophobicContact CG2-CH2 3.94Å; I364-W455 HydrophobicContact CG2-CZ2 4.03Å; E365-W455 HydrophobicContact CG-CZ2 4.13Å; E365-W455 PolarHBondContact OE1-NE1 2.84Å; I369-W455 HydrophobicContact CD1-CZ2 4.39Å; L422-W455 HydrophobicContact CD2-CH2 4.34Å; L422-W455 HydrophobicContact CD2-CZ3 4.06Å; T433-W455 HydrophobicContact CG2-CD2 4.27Å; T433-W455 VanDerWaalsContact CG2-CE2 3.44Å; T433-W455 HydrophobicContact CG2-CH2 4.11Å; T433-W455 HydrophobicContact CG2-CZ2 3.35Å; F434-W455 HydrophobicContact CE1-CH2 4.46Å; F434-W455 AromaticContact CZ-CH2 4Å; F434-W455 HydrophobicContact CZ-CH2 4Å; F434-W455 HydrophobicContact CZ-CZ2 4.47Å; S453-W455 PolarHBondContact O-N 3Å; S453-W455 WeakPolarHBondContact OG-CB 3.4Å; S453-W455 VanDerWaalsContact OG-CD1 3.26Å; S453-W455 PolarHBondContact OG-N 3.36Å; S453-W455 VanDerWaalsContact OG-N 3.17Å; W455-Y457 VanDerWaalsContact C-N 3.34Å; W455-Y457 PolarHBondContact O-N 3.01Å; W455-L458 HydrophobicContact CE3-CD1 3.84Å; W455-L458 HydrophobicContact CZ3-CD1 3.9Å; W455-L458 PolarHBondContact O-N 2.81Å; W455-N459 VanDerWaalsContact O-CB 3.3Å; W455-N459 WeakPolarHBondContact O-CB 3.43Å; W455-N459 PolarHBondContact O-N 2.97Å; W455-N459 PolarHBondContact O-ND2 2.76Å
456	G	93.9	Very high	94	Very high	5 Å²	5	51.5 Å²	51.5	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-44.8	174.8	0	0	0	0	0	111.7	S453 L454 R460	S453-G456 PolarHBondContact O-N 3.17Å; L454-G456 VanDerWaalsContact C-N 3.28Å; L454-G456 PolarHBondContact O-N 3.3Å; G456-R460 PolarHBondContact O-N 2.97Å
457	Y	94.8	Very high	93.6	Very high	32 Å²	32	43.7 Å²	43.7	13%	0.125	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-51.4	174.9	179.4	-87.8	0	0	0	111.8	W116 Y421 F431 L454 W455 N459 R460 Y461 W465	W116-Y457 AromaticContact CH2-CD2 3.95Å; W116-Y457 HydrophobicContact CH2-CD2 3.95Å; W116-Y457 HydrophobicContact CZ2-CD2 4.11Å; Y421-Y457 HydrophobicContact CE1-CD1 4.07Å; Y421-Y457 AromaticContact CE1-CE1 3.89Å; Y421-Y457 HydrophobicContact CE1-CE1 3.89Å; Y421-Y457 AromaticContact CZ-CE1 3.66Å; Y421-Y457 WeakPolarHBondContact OH-CE1 3.28Å; F431-Y457 HydrophobicContact CE1-CG 4.33Å; F431-Y457 HydrophobicContact CZ-CD1 4.39Å; F431-Y457 AromaticContact CZ-CD2 3.93Å; F431-Y457 HydrophobicContact CZ-CD2 3.93Å; F431-Y457 AromaticContact CZ-CG 3.76Å; F431-Y457 HydrophobicContact CZ-CG 3.76Å; L454-Y457 WeakPolarHBondContact O-CB 3.41Å; L454-Y457 PolarHBondContact O-N 3.39Å; W455-Y457 VanDerWaalsContact C-N 3.34Å; W455-Y457 PolarHBondContact O-N 3.01Å; Y457-N459 VanDerWaalsContact C-N 3.34Å; Y457-N459 PolarHBondContact O-N 3.01Å; Y457-R460 PolarHBondContact O-N 3.02Å; Y457-R460 VanDerWaalsContact O-N 3.15Å; Y457-Y461 HydrophobicContact CD1-CD2 4.18Å; Y457-Y461 AromaticContact CD2-CD2 3.94Å; Y457-Y461 HydrophobicContact CD2-CD2 3.94Å; Y457-Y461 AromaticContact CD2-CE2 3.73Å; Y457-Y461 HydrophobicContact CD2-CE2 3.73Å; Y457-Y461 AromaticContact CE1-CD2 3.92Å; Y457-Y461 HydrophobicContact CE1-CD2 3.92Å; Y457-Y461 HydrophobicContact CE1-CE2 4.49Å; Y457-Y461 AromaticContact CE2-CD2 3.68Å; Y457-Y461 HydrophobicContact CE2-CD2 3.68Å; Y457-Y461 AromaticContact CE2-CE2 3.41Å; Y457-Y461 HydrophobicContact CE2-CE2 3.41Å; Y457-Y461 VanDerWaalsContact CE2-CE2 3.41Å; Y457-Y461 HydrophobicContact CG-CD2 4.17Å; Y457-Y461 HydrophobicContact CG-CE2 4.39Å; Y457-Y461 AromaticContact CZ-CD2 3.66Å; Y457-Y461 AromaticContact CZ-CE2 3.83Å; Y457-Y461 VanDerWaalsContact O-CD2 3.3Å; Y457-Y461 WeakPolarHBondContact O-CD2 3.35Å; Y457-Y461 PolarHBondContact O-N 2.89Å; Y457-W465 HydrophobicContact CE1-CZ2 4.23Å
458	L	95	Very high	93.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-42.1	-177.7	-71.5	-179.3	0	0	0	112.5	F357 L418 Y421 L422 L454 W455 R460 Y461 R462 W465	F357-L458 HydrophobicContact CZ-CB 3.92Å; F357-L458 WeakPolarHBondContact CZ-O 3.2Å; L418-L458 HydrophobicContact CD1-CD1 3.86Å; L418-L458 HydrophobicContact CD1-CD2 3.79Å; L418-L458 HydrophobicContact CD1-CG 4.44Å; Y421-L458 HydrophobicContact CD1-CD2 3.77Å; Y421-L458 HydrophobicContact CE1-CD2 3.87Å; L422-L458 HydrophobicContact CD2-CD1 4.32Å; L454-L458 HydrophobicContact CD1-CD1 4.17Å; L454-L458 HydrophobicContact CD1-CD2 4.36Å; L454-L458 HydrophobicContact CD1-CG 3.88Å; L454-L458 HydrophobicContact CD2-CD1 4.22Å; L454-L458 HydrophobicContact CG-CD1 3.83Å; L454-L458 HydrophobicContact CG-CG 4.02Å; L454-L458 WeakPolarHBondContact O-CG 3.41Å; L454-L458 PolarHBondContact O-N 2.92Å; W455-L458 HydrophobicContact CE3-CD1 3.84Å; W455-L458 HydrophobicContact CZ3-CD1 3.9Å; W455-L458 PolarHBondContact O-N 2.81Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 3.34Å; L458-Y461 CarbonylContact O-C 3.58Å; L458-Y461 PolarHBondContact O-N 3.28Å; L458-R462 PolarHBondContact O-N 3.21Å; L458-W465 HydrophobicContact CD2-CD2 4.2Å; L458-W465 HydrophobicContact CD2-CZ2 3.86Å; L458-W465 PolarHBondContact O-NE1 3.39Å
459	N	92.4	Very high	92.5	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-31.6	178.9	-69.7	-17	0	0	0	112.6	F357 Q361 W455 Y457	F357-N459 VanDerWaalsContact CE1-OD1 3.27Å; F357-N459 WeakPolarHBondContact CE1-OD1 3.43Å; Q361-N459 PolarHBondContact NE2-OD1 3.36Å; Q361-N459 PolarHBondContact OE1-OD1 3.37Å; W455-N459 VanDerWaalsContact O-CB 3.3Å; W455-N459 WeakPolarHBondContact O-CB 3.43Å; W455-N459 PolarHBondContact O-N 2.97Å; W455-N459 PolarHBondContact O-ND2 2.76Å; Y457-N459 VanDerWaalsContact C-N 3.34Å; Y457-N459 PolarHBondContact O-N 3.01Å
460	R	92.2	Very high	92	Very high	130 Å²	130	46.4 Å²	46.4	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-74.3	-35	178	-173.2	155.7	-54	-50.7	1	113	W116 E120 G456 Y457 L458	W116-R460 VanDerWaalsContact CZ3-CD 3.43Å; E120-R460 IonicContact OE2-CZ 3.7Å; E120-R460 IonicContact OE2-NH2 2.79Å; E120-R460 PolarHBondContact OE2-NH2 2.6Å; G456-R460 PolarHBondContact O-N 2.97Å; Y457-R460 PolarHBondContact O-N 3.02Å; Y457-R460 VanDerWaalsContact O-N 3.15Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 3.34Å
461	Y	92.6	Very high	91.1	Very high	80 Å²	80	50.5 Å²	50.5	31%	0.314	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	31.3	178.3	-60.9	-75.5	0	0	0	112.5	D113 W116 Y457 L458 D463 G464 W465	D113-Y461 WeakPolarHBondContact CB-OH 3.37Å; W116-Y461 HydrophobicContact CH2-CE2 4.04Å; Y457-Y461 HydrophobicContact CD1-CD2 4.18Å; Y457-Y461 AromaticContact CD2-CD2 3.94Å; Y457-Y461 HydrophobicContact CD2-CD2 3.94Å; Y457-Y461 AromaticContact CD2-CE2 3.73Å; Y457-Y461 HydrophobicContact CD2-CE2 3.73Å; Y457-Y461 AromaticContact CE1-CD2 3.92Å; Y457-Y461 HydrophobicContact CE1-CD2 3.92Å; Y457-Y461 HydrophobicContact CE1-CE2 4.49Å; Y457-Y461 AromaticContact CE2-CD2 3.68Å; Y457-Y461 HydrophobicContact CE2-CD2 3.68Å; Y457-Y461 AromaticContact CE2-CE2 3.41Å; Y457-Y461 HydrophobicContact CE2-CE2 3.41Å; Y457-Y461 VanDerWaalsContact CE2-CE2 3.41Å; Y457-Y461 HydrophobicContact CG-CD2 4.17Å; Y457-Y461 HydrophobicContact CG-CE2 4.39Å; Y457-Y461 AromaticContact CZ-CD2 3.66Å; Y457-Y461 AromaticContact CZ-CE2 3.83Å; Y457-Y461 VanDerWaalsContact O-CD2 3.3Å; Y457-Y461 WeakPolarHBondContact O-CD2 3.35Å; Y457-Y461 PolarHBondContact O-N 2.89Å; L458-Y461 CarbonylContact O-C 3.58Å; L458-Y461 PolarHBondContact O-N 3.28Å; Y461-D463 VanDerWaalsContact C-N 3.27Å; Y461-D463 PolarHBondContact O-N 3.21Å; Y461-D463 VanDerWaalsContact O-N 3.14Å; Y461-G464 PolarHBondContact O-N 3.41Å; Y461-G464 VanDerWaalsContact O-N 3.17Å; Y461-W465 PolarHBondContact O-NE1 2.71Å
462	R	92.7	Very high	89.5	Confident	80 Å²	80	53.9 Å²	53.9	30%	0.302	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-46.9	-47.9	-171.8	-170.2	178.9	-166.1	-85.8	-0.2	113	F357 E413 L458 G464 W465 I466	F357-R462 HydrophobicContact CD1-CG 4.21Å; F357-R462 HydrophobicContact CE1-CG 4.03Å; F357-R462 HydrophobicContact CZ-CG 4.46Å; E413-R462 IonicContact OE1-CZ 2.62Å; E413-R462 IonicContact OE1-NH1 3.92Å; E413-R462 IonicContact OE1-NH2 3.7Å; E413-R462 PolarHBondContact OE1-NH2 3.4Å; E413-R462 IonicContact OE2-NH2 3.27Å; E413-R462 PolarHBondContact OE2-NH2 2.91Å; L458-R462 PolarHBondContact O-N 3.21Å; R462-G464 PolarHBondContact O-N 3.21Å; R462-G464 VanDerWaalsContact O-N 3.1Å; R462-W465 WeakPolarHBondContact O-CB 3.28Å; R462-W465 PolarHBondContact O-N 3.47Å; R462-I466 HydrophobicContact CG-CD1 3.9Å; R462-I466 HydrophobicContact CG-CG1 3.98Å; R462-I466 VanDerWaalsContact NH1-CD1 3.35Å; R462-I466 WeakPolarHBondContact O-CG1 3.34Å; R462-I466 PolarHBondContact O-N 3.49Å
463	D	90.4	Very high	87.2	Confident	150 Å²	150	56.1 Å²	56.1	80%	0.802	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.3	-33	-173	-61.8	-15.6	0	0	0	113.5	Y461 W465	Y461-D463 VanDerWaalsContact C-N 3.27Å; Y461-D463 PolarHBondContact O-N 3.21Å; Y461-D463 VanDerWaalsContact O-N 3.14Å; D463-W465 PolarHBondContact O-N 3.02Å
464	G	90.5	Very high	84.3	Confident	44 Å²	44	59.3 Å²	59.3	45%	0.454	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18	177.7	0	0	0	0	0	114.2	N415 Y461 R462	N415-G464 PolarHBondContact ND2-O 3.26Å; Y461-G464 PolarHBondContact O-N 3.41Å; Y461-G464 VanDerWaalsContact O-N 3.17Å; R462-G464 PolarHBondContact O-N 3.21Å; R462-G464 VanDerWaalsContact O-N 3.1Å
465	W	93.2	Very high	81.3	Confident	29 Å²	29	64.1 Å²	64.1	11%	0.11	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-103	-12.1	-174.1	-45.8	123.9	0	0	0	113.3	F357 Y414 N415 L418 Y421 Y457 L458 Y461 R462 D463	F357-W465 HydrophobicContact CD2-CB 4.1Å; F357-W465 HydrophobicContact CE2-CB 3.55Å; F357-W465 AromaticContact CE2-CD1 3.74Å; F357-W465 AromaticContact CE2-CG 3.89Å; F357-W465 HydrophobicContact CE2-CG 3.89Å; F357-W465 HydrophobicContact CZ-CB 4.39Å; F357-W465 AromaticContact CZ-CD1 3.79Å; F357-W465 HydrophobicContact CZ-CG 4.39Å; Y414-W465 CarbonylContact C-O 3.5Å; Y414-W465 VanDerWaalsContact CA-O 3.22Å; Y414-W465 WeakPolarHBondContact CA-O 3.23Å; N415-W465 VanDerWaalsContact CG-O 3.25Å; N415-W465 PolarHBondContact N-O 2.96Å; N415-W465 VanDerWaalsContact ND2-C 3.29Å; N415-W465 PolarHBondContact ND2-O 3.12Å; N415-W465 PolarHBondContact OD1-O 2.77Å; L418-W465 HydrophobicContact CB-CB 4.23Å; L418-W465 HydrophobicContact CB-CE3 4.17Å; L418-W465 HydrophobicContact CD1-CB 4.33Å; L418-W465 HydrophobicContact CD1-CD2 4.14Å; L418-W465 HydrophobicContact CD1-CE3 4.26Å; L418-W465 HydrophobicContact CD1-CG 4.14Å; Y421-W465 HydrophobicContact CD1-CH2 4.09Å; Y421-W465 HydrophobicContact CD1-CZ2 4.43Å; Y421-W465 HydrophobicContact CD2-CH2 4.06Å; Y421-W465 AromaticContact CG-CH2 3.82Å; Y421-W465 HydrophobicContact CG-CH2 3.82Å; Y421-W465 HydrophobicContact CG-CZ3 4.17Å; Y457-W465 HydrophobicContact CE1-CZ2 4.23Å; L458-W465 HydrophobicContact CD2-CD2 4.2Å; L458-W465 HydrophobicContact CD2-CZ2 3.86Å; L458-W465 PolarHBondContact O-NE1 3.39Å; Y461-W465 PolarHBondContact O-NE1 2.71Å; R462-W465 WeakPolarHBondContact O-CB 3.28Å; R462-W465 PolarHBondContact O-N 3.47Å; D463-W465 PolarHBondContact O-N 3.02Å
466	I	92.2	Very high	78.4	Confident	38 Å²	38	70.1 Å²	70.1	20%	0.195	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-81.5	141.7	-176	-56.7	-56	0	0	0	111	F357 E413 N415 R462	F357-I466 HydrophobicContact CB-CD1 4.03Å; F357-I466 HydrophobicContact CD2-CD1 4.31Å; F357-I466 HydrophobicContact CG-CD1 4.16Å; E413-I466 HydrophobicContact CG-CD1 4.02Å; E413-I466 HydrophobicContact CG-CG2 4.49Å; E413-I466 CarbonylContact O-C 3.49Å; E413-I466 WeakPolarHBondContact O-CA 3.27Å; N415-I466 PolarHBondContact ND2-O 2.87Å; R462-I466 HydrophobicContact CG-CD1 3.9Å; R462-I466 HydrophobicContact CG-CG1 3.98Å; R462-I466 VanDerWaalsContact NH1-CD1 3.35Å; R462-I466 WeakPolarHBondContact O-CG1 3.34Å; R462-I466 PolarHBondContact O-N 3.49Å
467	N	87.8	Confident	75.3	Confident	9 Å²	9	74 Å²	74	5%	0.048	38%	0.375	C	S	.	.			trans	-89.6	114.2	172.5	173.2	19.9	0	0	0	109.3	P409 F412 E413 N415 F469 Y470	P409-N467 PolarHBondContact O-ND2 2.86Å; F412-N467 WeakPolarHBondContact O-CB 3.36Å; F412-N467 PolarHBondContact O-ND2 3.3Å; E413-N467 WeakPolarHBondContact O-CB 3.44Å; E413-N467 PolarHBondContact O-N 2.85Å; N415-N467 HydrophobicContact CB-CB 4.27Å; N467-F469 PolarHBondContact O-N 2.92Å; N467-F469 VanDerWaalsContact O-N 3.14Å; N467-F469 WeakPolarHBondContact OD1-CD2 3.44Å; N467-F469 PolarHBondContact OD1-N 3.12Å; N467-F469 VanDerWaalsContact OD1-N 3.12Å; N467-Y470 WeakPolarHBondContact O-CB 3.3Å; N467-Y470 PolarHBondContact O-N 2.93Å; N467-Y470 VanDerWaalsContact O-N 3.14Å
468	P	84.7	Confident	72	Confident	115 Å²	115	78 Å²	78	75%	0.747	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.5	-177.7	29.1	-35.9	0	0	0	113.6
469	F	82	Confident	68.9	Low	97 Å²	97	82.4 Å²	82.4	43%	0.425	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1	177	-57.7	-77.5	0	0	0	113.2	T410 N467 E471 R555	T410-F469 VanDerWaalsContact CA-O 3.3Å; T410-F469 WeakPolarHBondContact CA-O 3.45Å; T410-F469 WeakPolarHBondContact CB-O 3.43Å; T410-F469 WeakPolarHBondContact CG2-O 2.92Å; N467-F469 PolarHBondContact O-N 2.92Å; N467-F469 VanDerWaalsContact O-N 3.14Å; N467-F469 WeakPolarHBondContact OD1-CD2 3.44Å; N467-F469 PolarHBondContact OD1-N 3.12Å; N467-F469 VanDerWaalsContact OD1-N 3.12Å; F469-E471 PolarHBondContact O-N 2.87Å; F469-R555 VanDerWaalsContact CD2-NH2 3.28Å
470	Y	83.8	Confident	65.9	Low	46 Å²	46	88.7 Å²	88.7	18%	0.18	45%	0.454	C	S	.	.			trans	-61.5	110.9	179.4	179.1	-124.2	0	0	0	110.3	T410 F412 E413 N467 H472	T410-Y470 WeakPolarHBondContact O-CD2 3.38Å; F412-Y470 WeakPolarHBondContact O-CD2 3.26Å; E413-Y470 VanDerWaalsContact CA-CG 3.47Å; E413-Y470 HydrophobicContact CB-CD1 3.75Å; E413-Y470 HydrophobicContact CB-CD2 4.17Å; E413-Y470 HydrophobicContact CB-CE1 3.78Å; E413-Y470 HydrophobicContact CB-CE2 4.21Å; E413-Y470 HydrophobicContact CB-CG 3.94Å; E413-Y470 HydrophobicContact CG-CD1 3.74Å; E413-Y470 HydrophobicContact CG-CE1 3.94Å; E413-Y470 HydrophobicContact CG-CG 4.29Å; N467-Y470 WeakPolarHBondContact O-CB 3.3Å; N467-Y470 PolarHBondContact O-N 2.93Å; N467-Y470 VanDerWaalsContact O-N 3.14Å; Y470-H472 HydrophobicContact CE1-CB 4.49Å; Y470-H472 PolarHBondContact O-N 3.37Å
471	E	75.6	Confident	62.9	Low	122 Å²	122	89.3 Å²	89.3	57%	0.57	47%	0.465	S	S	*	.			trans	-81	98.1	170.7	-74.1	169.9	169.7	0	0	106.5	T410 F469 N473	T410-E471 VanDerWaalsContact CB-OE2 3.31Å; T410-E471 WeakPolarHBondContact CB-OE2 3.31Å; T410-E471 HydrophobicContact CG2-CG 4.09Å; T410-E471 PolarHBondContact O-N 3.35Å; T410-E471 PolarHBondContact OG1-OE2 3.03Å; F469-E471 PolarHBondContact O-N 2.87Å; E471-N473 PolarHBondContact O-N 3.34Å
472	H	61.7	Low	59.8	Low	73 Å²	73	93.8 Å²	93.8	34%	0.338	49%	0.494	S	S	.	.			trans	-56.4	122.9	158.4	-169.5	-71.2	0	0	0	106.1	Y470 S474 G506	Y470-H472 HydrophobicContact CE1-CB 4.49Å; Y470-H472 PolarHBondContact O-N 3.37Å; H472-S474 VanDerWaalsContact C-N 3.26Å; H472-S474 PolarHBondContact O-N 3.14Å; H472-G506 VanDerWaalsContact CE1-CA 3.46Å; H472-G506 WeakPolarHBondContact CE1-CA 3.44Å; H472-G506 WeakPolarHBondContact NE2-CA 3.39Å; H472-G506 PolarHBondContact NE2-N 3.21Å
473	N	48.4	Very low	56.9	Low	74 Å²	74	93.7 Å²	93.7	40%	0.396	52%	0.518	S	S	.	.			trans	-57.4	95	174.3	-91.4	-13.4	0	0	0	108	E471	E471-N473 PolarHBondContact O-N 3.34Å
474	S	34.9	Very low	53.9	Low	69 Å²	69	90.5 Å²	90.5	48%	0.483	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-81.2	-5.4	174.3	54.4	0	0	0	0	111.6	H472 W476 T477	H472-S474 VanDerWaalsContact C-N 3.26Å; H472-S474 PolarHBondContact O-N 3.14Å; S474-W476 PolarHBondContact O-N 3.13Å; S474-T477 PolarHBondContact O-N 2.88Å; S474-T477 PolarHBondContact O-OG1 2.82Å
475	V	33.5	Very low	50.9	Low	100 Å²	100	92.3 Å²	92.3	61%	0.606	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-61.5	-11	-177.2	179.9	0	0	0	0	113.1
476	W	33.8	Very low	47.7	Very low	129 Å²	129	94.4 Å²	94.4	49%	0.489	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-119	-7.1	-179.7	-56.5	106.5	0	0	0	115.3	S474 D478 E508	S474-W476 PolarHBondContact O-N 3.13Å; W476-D478 VanDerWaalsContact C-N 3.32Å; W476-E508 HydrophobicContact CB-CG 4.31Å; W476-E508 WeakPolarHBondContact CB-OE1 3.39Å; W476-E508 VanDerWaalsContact CD1-OE2 3.25Å; W476-E508 HydrophobicContact CG-CG 4.45Å; W476-E508 PolarHBondContact NE1-OE2 3.43Å
477	T	28.5	Very low	44.8	Very low	88 Å²	88	97.7 Å²	97.7	54%	0.54	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-76.8	-19.4	171.6	38	0	0	0	0	112.8	S474	S474-T477 PolarHBondContact O-N 2.88Å; S474-T477 PolarHBondContact O-OG1 2.82Å
478	D	27.1	Very low	41.8	Very low	116 Å²	116	105 Å²	105	62%	0.62	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-96.1	4.6	-179.6	-71.8	-21.9	0	0	0	114.3	W476	W476-D478 VanDerWaalsContact C-N 3.32Å
479	C	28.7	Very low	39.1	Very low	92 Å²	92	108.7 Å²	108.7	62%	0.622	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-93.4	7.2	173.4	-79.6	0	0	0	0	114.6
480	F	29.2	Very low	36.4	Very low	182 Å²	182	113.5 Å²	113.5	80%	0.798	66%	0.657	S	S	*	*	S	Bend	trans	-120.2	36.9	177.8	-72.7	-80.6	0	0	0	112.9
481	I	29.5	Very low	33.7	Very low	143 Å²	143	121.2 Å²	121.2	73%	0.733	69%	0.687	S	S	*	*	S	Bend	trans	-141	66.6	165.5	-50.2	-178	0	0	0	108.4
482	D	28.1	Very low	31.3	Very low	173 Å²	173	121.8 Å²	121.8	93%	0.925	69%	0.694	S	S	*	*			trans	-162.9	96.6	155.1	-105.2	-17.4	0	0	0	109.3
483	G	30.9	Very low	29.6	Very low	78 Å²	78	126.8 Å²	126.8	80%	0.804	72%	0.722	S	S	*	*			trans	-176.9	79.7	-176.9	0	0	0	0	0	109.9
484	G	27.7	Very low	28.6	Very low	84 Å²	84	127 Å²	127	87%	0.866	73%	0.729	S	S	*	*			trans	-62.4	155.7	-179.8	0	0	0	0	0	114
485	G	27.9	Very low	28	Very low	81 Å²	81	128.7 Å²	128.7	84%	0.835	74%	0.741	S	S	*	*			trans	100.4	96.6	156.6	0	0	0	0	0	116
486	G	26.2	Very low	27.6	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	75%	0.752	S	S	*	*			trans	74.9	88.3	138	0	0	0	0	0	118.2
487	S	31.3	Very low	27.3	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	77%	0.77	S	S	*	*				159.3	131.1	125.2	53.4	0	0	0	0	110.7	Y489	S487-Y489 PolarHBondContact O-N 3.21Å
488	N	25.4	Very low	27.2	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	78%	0.783	S	S	*	*			trans	-69.8	111.3	-175.4	-74	-43.3	0	0	0	112.1
489	Y	28	Very low	27.2	Very low	192 Å²	192	139.9 Å²	139.9	75%	0.753	79%	0.794	S	S	*	*			trans	-130.7	90.8	151.7	-74.4	-78.4	0	0	0	109.7	S487 Y491	S487-Y489 PolarHBondContact O-N 3.21Å; Y489-Y491 PolarHBondContact O-N 3.14Å
490	K	24.9	Very low	27.2	Very low	197 Å²	197	142.8 Å²	142.8	86%	0.857	80%	0.803	S	S	*	*			trans	-75.3	106	160.3	-93.4	-179.8	171	178.2	0	107.6	N492	K490-N492 PolarHBondContact O-N 2.89Å
491	Y	27.1	Very low	27.2	Very low	208 Å²	208	142.4 Å²	142.4	82%	0.816	80%	0.804	S	S	*	*			trans	-84	104.2	158.5	-83.1	-81.8	0	0	0	108.6	Y489 I493	Y489-Y491 PolarHBondContact O-N 3.14Å; Y491-I493 PolarHBondContact O-N 3.14Å
492	N	23.9	Very low	27.3	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	81%	0.809	S	S	*	*			trans	-63	118.7	163.8	-85.3	-28.8	0	0	0	108.5	K490 S494	K490-N492 PolarHBondContact O-N 2.89Å; N492-S494 PolarHBondContact O-N 2.79Å
493	I	27.4	Very low	27.7	Very low	179 Å²	179	140.2 Å²	140.2	92%	0.918	79%	0.792	S	S	*	*			trans	-77.3	76	159.2	-58.6	175.5	0	0	0	106.1	Y491	Y491-I493 PolarHBondContact O-N 3.14Å
494	S	26.2	Very low	28	Very low	78 Å²	78	137.2 Å²	137.2	55%	0.545	76%	0.758	S	S	.	*			trans	-83.3	127.7	169.2	50.1	0	0	0	0	109.2	N492 N496	N492-S494 PolarHBondContact O-N 2.79Å; S494-N496 PolarHBondContact O-N 2.88Å
495	S	23.9	Very low	28.2	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	75%	0.753	S	S	*	*	S	Bend	trans	-20.4	108.7	159.8	52.6	0	0	0	0	114
496	N	25	Very low	28.6	Very low	155 Å²	155	136.5 Å²	136.5	83%	0.829	73%	0.726	S	S	*	*			trans	172	28.2	153.5	-88	-8.9	0	0	0	114.1	S494	S494-N496 PolarHBondContact O-N 2.88Å
497	F	27.2	Very low	29.3	Very low	198 Å²	198	134 Å²	134	87%	0.868	70%	0.695	S	S	*	*			trans	-106.1	105	172.5	-78	-80.4	0	0	0	111.2	T499	F497-T499 PolarHBondContact O-N 3.46Å
498	E	26.1	Very low	29.6	Very low	176 Å²	176	132 Å²	132	82%	0.822	67%	0.674	S	S	*	*			trans	-66.7	110.1	171.1	-70	174.8	150.7	0	0	109.9	D500	E498-D500 PolarHBondContact O-N 3.44Å; E498-D500 VanDerWaalsContact O-N 3.1Å
499	T	27.7	Very low	30.3	Very low	139 Å²	139	129 Å²	129	85%	0.853	66%	0.658	S	S	*	*	S	Bend	trans	65.7	0.4	147.6	54.6	0	0	0	0	123.3	F497	F497-T499 PolarHBondContact O-N 3.46Å
500	D	27.7	Very low	31	Very low	152 Å²	152	124.1 Å²	124.1	81%	0.813	64%	0.644	S	S	*	*			trans	-116.3	12.5	-172.3	-99.5	-14.5	0	0	0	119.3	E498	E498-D500 PolarHBondContact O-N 3.44Å; E498-D500 VanDerWaalsContact O-N 3.1Å
501	E	29.6	Very low	31.6	Very low	175 Å²	175	119.9 Å²	119.9	82%	0.818	63%	0.63	S	S	*	*			trans	-132.1	46.5	-179.7	-71.9	-168.2	163.3	0	0	116	I503	E501-I503 PolarHBondContact O-N 3.37Å
502	L	31.3	Very low	32.4	Very low	158 Å²	158	112.2 Å²	112.2	83%	0.827	60%	0.603	S	S	*	*			trans	-87.3	52.9	157.5	-92.9	149.5	0	0	0	110.2	T504	L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 2.82Å; L502-T504 VanDerWaalsContact O-N 3.1Å
503	I	36.7	Very low	33.2	Very low	112 Å²	112	109.2 Å²	109.2	57%	0.574	60%	0.604	S	S	*	*			trans	-71.7	101.6	155.1	-62.5	179.1	0	0	0	104.9	E501 V505	E501-I503 PolarHBondContact O-N 3.37Å; I503-V505 PolarHBondContact O-N 3.14Å
504	T	35.9	Very low	33.9	Very low	15 Å²	15	107.5 Å²	107.5	9%	0.092	60%	0.595	C	S	.	*			trans	-33.8	119	172.8	18.8	0	0	0	0	112.3	L358 L502 G506	L358-T504 HydrophobicContact CB-CG2 3.89Å; L358-T504 HydrophobicContact CD1-CG2 3.47Å; L358-T504 VanDerWaalsContact CD1-CG2 3.47Å; L358-T504 HydrophobicContact CG-CG2 3.64Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 2.82Å; L502-T504 VanDerWaalsContact O-N 3.1Å; T504-G506 PolarHBondContact O-N 2.81Å
505	V	33.3	Very low	34.1	Very low	124 Å²	124	106.5 Å²	106.5	75%	0.752	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-34.4	115.6	157.3	-156.7	0	0	0	0	109.3	I503	I503-V505 PolarHBondContact O-N 3.14Å
506	G	35.8	Very low	34.7	Very low	26 Å²	26	106 Å²	106	27%	0.268	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	123.7	13.9	167.4	0	0	0	0	0	119.8	H472 T504	H472-G506 VanDerWaalsContact CE1-CA 3.46Å; H472-G506 WeakPolarHBondContact CE1-CA 3.44Å; H472-G506 WeakPolarHBondContact NE2-CA 3.39Å; H472-G506 PolarHBondContact NE2-N 3.21Å; T504-G506 PolarHBondContact O-N 2.81Å
507	V	41.1	Very low	35.3	Very low	20 Å²	20	101.4 Å²	101.4	12%	0.121	57%	0.567	C	S	.	*			trans	-122.4	118.2	168.8	-150.7	0	0	0	0	109.2	P352 Y353 Y519	P352-V507 HydrophobicContact CG-CG1 4.27Å; Y353-V507 HydrophobicContact CD2-CG2 4.08Å; V507-Y519 HydrophobicContact CB-CD1 3.7Å; V507-Y519 HydrophobicContact CB-CE1 4Å; V507-Y519 HydrophobicContact CG1-CD1 3.27Å; V507-Y519 HydrophobicContact CG1-CE1 4.05Å; V507-Y519 HydrophobicContact CG1-CG 4.03Å
508	E	37.9	Very low	36.4	Very low	67 Å²	67	95.9 Å²	95.9	31%	0.313	54%	0.54	S	S	.	.			trans	-61.5	152.5	-177.9	-71.3	-172.2	104.9	0	0	113.1	W476 Y519	W476-E508 HydrophobicContact CB-CG 4.31Å; W476-E508 WeakPolarHBondContact CB-OE1 3.39Å; W476-E508 VanDerWaalsContact CD1-OE2 3.25Å; W476-E508 HydrophobicContact CG-CG 4.45Å; W476-E508 PolarHBondContact NE1-OE2 3.43Å; E508-Y519 VanDerWaalsContact O-CA 3.29Å; E508-Y519 WeakPolarHBondContact O-CA 3.45Å; E508-Y519 WeakPolarHBondContact O-CD1 3.38Å
509	L	40.6	Very low	38	Very low	99 Å²	99	88.5 Å²	88.5	52%	0.518	51%	0.505	S	S	.	.			trans	-117.2	86.9	175.9	-83.1	-169.2	0	0	0	107.8	N511 S517 Y519	L509-N511 PolarHBondContact O-N 3.24Å; L509-S517 VanDerWaalsContact CD2-CB 3.48Å; L509-Y519 HydrophobicContact CD2-CD1 4.3Å; L509-Y519 HydrophobicContact CD2-CE1 3.63Å; L509-Y519 HydrophobicContact CD2-CE2 4.14Å; L509-Y519 WeakPolarHBondContact CD2-OH 3.38Å
510	I	41.7	Very low	39.7	Very low	90 Å²	90	83.3 Å²	83.3	46%	0.462	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	110.6	176	-56.6	168.1	0	0	0	108.8	D512 N516 S517 R518 A520	I510-D512 PolarHBondContact O-N 2.95Å; I510-N516 VanDerWaalsContact O-O 3.11Å; I510-S517 CarbonylContact O-C 3.58Å; I510-S517 VanDerWaalsContact O-CA 3.24Å; I510-S517 WeakPolarHBondContact O-CA 3.47Å; I510-R518 WeakPolarHBondContact CA-O 3.24Å; I510-R518 WeakPolarHBondContact CB-O 3.24Å; I510-R518 VanDerWaalsContact CG1-O 3.23Å; I510-R518 WeakPolarHBondContact CG1-O 3.27Å; I510-R518 PolarHBondContact N-O 3.44Å; I510-R518 PolarHBondContact O-N 2.83Å; I510-A520 HydrophobicContact CD1-CB 4.09Å
511	N	36.8	Very low	42	Very low	107 Å²	107	77.8 Å²	77.8	57%	0.572	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.5	173.9	-165.4	-7.5	0	0	0	109.5	L509 G513 G515	L509-N511 PolarHBondContact O-N 3.24Å; N511-G513 PolarHBondContact O-N 3.49Å; N511-G515 PolarHBondContact OD1-N 2.98Å
512	D	43.8	Very low	44.7	Very low	47 Å²	47	71.4 Å²	71.4	25%	0.251	42%	0.423	S	S	.	.			trans	-75.3	13.7	-178.3	67.5	-1.3	0	0	0	114.3	I510 I514 G515 N516 R518	I510-D512 PolarHBondContact O-N 2.95Å; D512-I514 PolarHBondContact O-N 3.36Å; D512-I514 PolarHBondContact OD1-N 2.77Å; D512-I514 VanDerWaalsContact OD1-N 3.1Å; D512-G515 PolarHBondContact OD1-N 3.1Å; D512-N516 VanDerWaalsContact CG-O 3.28Å; D512-N516 PolarHBondContact N-O 3.17Å; D512-N516 PolarHBondContact OD1-N 3.34Å; D512-N516 WeakPolarHBondContact OD2-CB 3.31Å; D512-R518 IonicContact OD2-CZ 2.72Å; D512-R518 IonicContact OD2-NE 3.61Å; D512-R518 PolarHBondContact OD2-NE 3.43Å; D512-R518 IonicContact OD2-NH2 3.9Å; D512-R518 PolarHBondContact OD2-NH2 3.48Å
513	G	40.5	Very low	47.5	Very low	72 Å²	72	66.3 Å²	66.3	74%	0.742	40%	0.396	S	S	*	.	S	Bend	trans	72.8	-1.2	-176.1	0	0	0	0	0	113.9	N511	N511-G513 PolarHBondContact O-N 3.49Å
514	I	42.5	Very low	50.1	Low	142 Å²	142	61.1 Å²	61.1	73%	0.728	37%	0.369	S	S	*	.	S	Bend	trans	-115.3	5.6	178	-50.9	175.1	0	0	0	110.4	D512	D512-I514 PolarHBondContact O-N 3.36Å; D512-I514 PolarHBondContact OD1-N 2.77Å; D512-I514 VanDerWaalsContact OD1-N 3.1Å
515	G	31.1	Very low	52.4	Low	58 Å²	58	62.8 Å²	62.8	60%	0.598	38%	0.381	S	S	*	.	S	Bend	trans	86.4	13.8	179.1	0	0	0	0	0	114.2	N511 D512	N511-G515 PolarHBondContact OD1-N 2.98Å; D512-G515 PolarHBondContact OD1-N 3.1Å
516	N	36.7	Very low	55	Low	95 Å²	95	61.7 Å²	61.7	51%	0.508	37%	0.374	S	S	.	.			trans	-105.2	120.1	168.5	-64.9	-47.9	0	0	0	110.3	I510 D512	I510-N516 VanDerWaalsContact O-O 3.11Å; D512-N516 VanDerWaalsContact CG-O 3.28Å; D512-N516 PolarHBondContact N-O 3.17Å; D512-N516 PolarHBondContact OD1-N 3.34Å; D512-N516 WeakPolarHBondContact OD2-CB 3.31Å
517	S	37.3	Very low	57.4	Low	57 Å²	57	64.9 Å²	64.9	40%	0.399	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125	170.6	-71.4	0	0	0	0	111.6	L509 I510	L509-S517 VanDerWaalsContact CD2-CB 3.48Å; I510-S517 CarbonylContact O-C 3.58Å; I510-S517 VanDerWaalsContact O-CA 3.24Å; I510-S517 WeakPolarHBondContact O-CA 3.47Å
518	R	49.8	Very low	59.4	Low	83 Å²	83	64 Å²	64	31%	0.313	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.1	-179	-56.2	-166.5	-166	-179.2	4.6	112.8	P191 N192 I510 D512	P191-R518 WeakPolarHBondContact O-CD 3.27Å; N192-R518 VanDerWaalsContact C-NH1 3.33Å; N192-R518 PolarHBondContact O-NH1 3.01Å; I510-R518 WeakPolarHBondContact CA-O 3.24Å; I510-R518 WeakPolarHBondContact CB-O 3.24Å; I510-R518 VanDerWaalsContact CG1-O 3.23Å; I510-R518 WeakPolarHBondContact CG1-O 3.27Å; I510-R518 PolarHBondContact N-O 3.44Å; I510-R518 PolarHBondContact O-N 2.83Å; D512-R518 IonicContact OD2-CZ 2.72Å; D512-R518 IonicContact OD2-NE 3.61Å; D512-R518 PolarHBondContact OD2-NE 3.43Å; D512-R518 IonicContact OD2-NH2 3.9Å; D512-R518 PolarHBondContact OD2-NH2 3.48Å
519	Y	60.3	Low	61.7	Low	21 Å²	21	62.1 Å²	62.1	8%	0.082	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.9	139.1	-174.2	-56.6	-82.3	0	0	0	112.9	R133 P191 V507 E508 L509	R133-Y519 HydrophobicContact CB-CE2 4.28Å; R133-Y519 HydrophobicContact CG-CD2 3.97Å; R133-Y519 HydrophobicContact CG-CE1 4.25Å; R133-Y519 HydrophobicContact CG-CE2 3.23Å; R133-Y519 WeakPolarHBondContact CG-OH 3.3Å; R133-Y519 WeakPolarHBondContact O-CD2 3.38Å; R133-Y519 WeakPolarHBondContact O-CE2 3.5Å; P191-Y519 WeakPolarHBondContact CB-O 3.36Å; P191-Y519 WeakPolarHBondContact CG-O 3.43Å; V507-Y519 HydrophobicContact CB-CD1 3.7Å; V507-Y519 HydrophobicContact CB-CE1 4Å; V507-Y519 HydrophobicContact CG1-CD1 3.27Å; V507-Y519 HydrophobicContact CG1-CE1 4.05Å; V507-Y519 HydrophobicContact CG1-CG 4.03Å; E508-Y519 VanDerWaalsContact O-CA 3.29Å; E508-Y519 WeakPolarHBondContact O-CA 3.45Å; E508-Y519 WeakPolarHBondContact O-CD1 3.38Å; L509-Y519 HydrophobicContact CD2-CD1 4.3Å; L509-Y519 HydrophobicContact CD2-CE1 3.63Å; L509-Y519 HydrophobicContact CD2-CE2 4.14Å; L509-Y519 WeakPolarHBondContact CD2-OH 3.38Å
520	A	63.3	Low	63.6	Low	30 Å²	30	60 Å²	60	25%	0.248	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-72.7	131.9	172.7	0	0	0	0	0	110.9	P352 I510	P352-A520 WeakPolarHBondContact CD-O 3.4Å; P352-A520 WeakPolarHBondContact CG-O 3.45Å; I510-A520 HydrophobicContact CD1-CB 4.09Å
521	A	76.2	Confident	65.1	Low	35 Å²	35	58.8 Å²	58.8	29%	0.289	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74.1	141.8	167.1	0	0	0	0	0	109.7	P191 L350	P191-A521 HydrophobicContact CG-CB 4.27Å; L350-A521 HydrophobicContact CD2-CB 4.21Å
522	D	85.5	Confident	67	Low	42 Å²	42	58.8 Å²	58.8	23%	0.225	37%	0.37	C	S	.	.			trans	-137	85.6	175.8	166.8	50.3	0	0	0	107.5	L350 R355 K411 L524	L350-D522 CarbonylContact O-C 3.47Å; L350-D522 PolarHBondContact O-N 2.99Å; R355-D522 IonicContact CZ-OD2 3.77Å; R355-D522 VanDerWaalsContact CZ-OD2 3.31Å; R355-D522 IonicContact NH1-OD2 2.73Å; R355-D522 PolarHBondContact NH1-OD2 2.92Å; R355-D522 VanDerWaalsContact NH2-CB 3.31Å; R355-D522 PolarHBondContact NH2-O 3.43Å; R355-D522 IonicContact NH2-OD2 3.67Å; R355-D522 PolarHBondContact NH2-OD2 3.46Å; K411-D522 IonicContact NZ-OD1 2.69Å; K411-D522 PolarHBondContact NZ-OD1 3.23Å; K411-D522 VanDerWaalsContact NZ-OD1 3.16Å; K411-D522 IonicContact NZ-OD2 3.2Å; K411-D522 PolarHBondContact NZ-OD2 3.43Å; D522-L524 PolarHBondContact O-N 2.84Å
523	I	91.5	Very high	68.5	Low	51 Å²	51	59.1 Å²	59.1	26%	0.262	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.5	-175	-166.7	170.8	0	0	0	111	A319 K320 D323 I349	A319-I523 HydrophobicContact CB-CD1 4.47Å; K320-I523 HydrophobicContact CB-CD1 4.44Å; D323-I523 HydrophobicContact CB-CD1 4.24Å; I349-I523 HydrophobicContact CG2-CG1 3.93Å; I349-I523 CarbonylContact O-C 3.56Å; I349-I523 VanDerWaalsContact O-CA 3.25Å; I349-I523 WeakPolarHBondContact O-CA 3.46Å
524	L	89.9	Confident	70.4	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-63	141.8	174.6	-65.4	-178.5	0	0	0	110.9	I349 L404 C408 K411 F412 D522 I528	I349-L524 HydrophobicContact CG1-CD1 4.26Å; I349-L524 HydrophobicContact CG2-CB 4.2Å; I349-L524 PolarHBondContact O-N 2.88Å; L404-L524 HydrophobicContact CB-CD1 4.33Å; L404-L524 HydrophobicContact CD1-CD1 4.22Å; L404-L524 HydrophobicContact CD2-CD1 4.2Å; L404-L524 HydrophobicContact CG-CD1 4.49Å; C408-L524 HydrophobicContact CB-CD2 4.24Å; K411-L524 HydrophobicContact CB-CD2 4.18Å; K411-L524 HydrophobicContact CG-CD2 4.15Å; F412-L524 HydrophobicContact CE2-CD1 4.23Å; F412-L524 HydrophobicContact CZ-CD1 3.93Å; D522-L524 PolarHBondContact O-N 2.84Å; L524-I528 HydrophobicContact CB-CD1 4.07Å; L524-I528 HydrophobicContact CB-CG2 4.42Å
525	P	85.7	Confident	72.3	Confident	50 Å²	50	54.4 Å²	54.4	33%	0.325	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.9	149.5	-170.9	28.8	-37.3	0	0	0	112.3	H527 I528	P525-H527 WeakPolarHBondContact CB-ND1 3.4Å; P525-H527 WeakPolarHBondContact CG-CE1 3.42Å; P525-H527 PolarHBondContact O-N 3.04Å; P525-I528 VanDerWaalsContact O-CG1 3.27Å; P525-I528 WeakPolarHBondContact O-CG1 3.43Å; P525-I528 WeakPolarHBondContact O-CG2 3.48Å; P525-I528 PolarHBondContact O-N 3.08Å; P525-I528 VanDerWaalsContact O-N 3.13Å
526	V	87.9	Confident	75.1	Confident	100 Å²	100	52.9 Å²	52.9	61%	0.606	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-57.7	-23.7	-176.1	70	0	0	0	0	114.6	I528 L529	V526-I528 PolarHBondContact O-N 2.82Å; V526-I528 VanDerWaalsContact O-N 3.09Å; V526-L529 WeakPolarHBondContact O-CB 3.12Å; V526-L529 PolarHBondContact O-N 3.1Å
527	H	85.2	Confident	77.7	Confident	94 Å²	94	48.4 Å²	48.4	44%	0.435	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.9	-11.6	180	68.2	-106.4	0	0	0	113.4	I407 P525 L529 C530 L533	I407-H527 VanDerWaalsContact CG2-CD2 3.45Å; I407-H527 WeakPolarHBondContact CG2-CD2 3.32Å; P525-H527 WeakPolarHBondContact CB-ND1 3.4Å; P525-H527 WeakPolarHBondContact CG-CE1 3.42Å; P525-H527 PolarHBondContact O-N 3.04Å; H527-L529 PolarHBondContact O-N 3.31Å; H527-L529 VanDerWaalsContact O-N 3.1Å; H527-C530 WeakPolarHBondContact O-CB 3.49Å; H527-C530 PolarHBondContact O-N 3.37Å; H527-L533 WeakPolarHBondContact O-CD1 3.29Å
528	I	84.2	Confident	80.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.9	-21.2	166	68.3	-175.8	0	0	0	112.4	I349 H403 L404 I407 L524 P525 V526 F534	I349-I528 HydrophobicContact CD1-CD1 4.08Å; I349-I528 HydrophobicContact CG1-CD1 4.14Å; H403-I528 PolarHBondContact NE2-O 3.11Å; L404-I528 HydrophobicContact CD2-CB 3.85Å; L404-I528 HydrophobicContact CD2-CD1 3.76Å; L404-I528 HydrophobicContact CD2-CG1 4.24Å; L404-I528 HydrophobicContact CD2-CG2 3.99Å; I407-I528 HydrophobicContact CB-CG2 4.44Å; I407-I528 HydrophobicContact CG2-CG2 3.94Å; L524-I528 HydrophobicContact CB-CD1 4.07Å; L524-I528 HydrophobicContact CB-CG2 4.42Å; P525-I528 VanDerWaalsContact O-CG1 3.27Å; P525-I528 WeakPolarHBondContact O-CG1 3.43Å; P525-I528 WeakPolarHBondContact O-CG2 3.48Å; P525-I528 PolarHBondContact O-N 3.08Å; P525-I528 VanDerWaalsContact O-N 3.13Å; V526-I528 PolarHBondContact O-N 2.82Å; V526-I528 VanDerWaalsContact O-N 3.09Å; I528-F534 WeakPolarHBondContact O-CE2 3.34Å
529	L	85.7	Confident	81.8	Confident	29 Å²	29	45.4 Å²	45.4	15%	0.152	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-93.6	0	177.8	-57	-177.2	0	0	0	114.1	H309 L312 H316 V526 H527 A531	H309-L529 PolarHBondContact CD2-O 3.41Å; H309-L529 PolarHBondContact NE2-O 2.94Å; L312-L529 HydrophobicContact CB-CD2 3.84Å; L312-L529 WeakPolarHBondContact O-CD2 3.48Å; H316-L529 HydrophobicContact CB-CD1 3.84Å; H316-L529 HydrophobicContact CB-CD2 4.1Å; H316-L529 HydrophobicContact CB-CG 4.26Å; V526-L529 WeakPolarHBondContact O-CB 3.12Å; V526-L529 PolarHBondContact O-N 3.1Å; H527-L529 PolarHBondContact O-N 3.31Å; H527-L529 VanDerWaalsContact O-N 3.1Å; L529-A531 PolarHBondContact O-N 2.86Å
530	C	79.3	Confident	83.3	Confident	55 Å²	55	44.8 Å²	44.8	37%	0.372	26%	0.257	S	S	.	.			trans	-64.4	108.9	-177.6	-173.8	0	0	0	0	109.9	H527 P532 L533	H527-C530 WeakPolarHBondContact O-CB 3.49Å; H527-C530 PolarHBondContact O-N 3.37Å; C530-P532 VanDerWaalsContact C-CD 3.47Å; C530-L533 HydrophobicContact CB-CB 4.48Å; C530-L533 HydrophobicContact CB-CD1 3.67Å; C530-L533 HydrophobicContact CB-CG 3.83Å; C530-L533 VanDerWaalsContact O-CB 3.27Å; C530-L533 WeakPolarHBondContact O-CB 3.32Å; C530-L533 PolarHBondContact O-N 2.86Å
531	A	74.2	Confident	84.7	Confident	63 Å²	63	43.9 Å²	43.9	52%	0.521	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-52.8	-40.4	-171.5	0	0	0	0	0	114.7	L529 L533 F534	L529-A531 PolarHBondContact O-N 2.86Å; A531-L533 PolarHBondContact O-N 2.85Å; A531-L533 VanDerWaalsContact O-N 3.14Å; A531-F534 PolarHBondContact O-N 3.19Å; A531-F534 VanDerWaalsContact O-N 3.14Å
532	P	75.8	Confident	85.3	Confident	107 Å²	107	43.5 Å²	43.5	70%	0.695	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-61.8	-17	174.6	-25	35	0	0	0	115.5	C530	C530-P532 VanDerWaalsContact C-CD 3.47Å
533	L	76.3	Confident	85.3	Confident	54 Å²	54	45.7 Å²	45.7	28%	0.283	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-83.4	-17.2	178	-58.4	-176.7	0	0	0	112.7	I407 H527 C530 A531 R535	I407-L533 HydrophobicContact CD1-CB 3.95Å; I407-L533 HydrophobicContact CD1-CD1 3.98Å; I407-L533 HydrophobicContact CD1-CG 4.43Å; H527-L533 WeakPolarHBondContact O-CD1 3.29Å; C530-L533 HydrophobicContact CB-CB 4.48Å; C530-L533 HydrophobicContact CB-CD1 3.67Å; C530-L533 HydrophobicContact CB-CG 3.83Å; C530-L533 VanDerWaalsContact O-CB 3.27Å; C530-L533 WeakPolarHBondContact O-CB 3.32Å; C530-L533 PolarHBondContact O-N 2.86Å; A531-L533 PolarHBondContact O-N 2.85Å; A531-L533 VanDerWaalsContact O-N 3.14Å; L533-R535 PolarHBondContact O-N 3.36Å
534	F	80.6	Confident	85	Confident	16 Å²	16	47.5 Å²	47.5	7%	0.07	25%	0.252	C	S	.	.			trans	-70.1	115.8	176.7	-77.2	-105.3	0	0	0	109.9	L308 H309 L312 H403 I528 A531	L308-F534 HydrophobicContact CB-CD1 4.07Å; L308-F534 HydrophobicContact CB-CE1 4.06Å; H309-F534 VanDerWaalsContact CA-CE1 3.47Å; H309-F534 HydrophobicContact CB-CD1 4.24Å; H309-F534 HydrophobicContact CB-CE1 3.93Å; H309-F534 HydrophobicContact CB-CE2 4.42Å; H309-F534 HydrophobicContact CB-CZ 4.02Å; H309-F534 AromaticContact CD2-CE2 3.51Å; H309-F534 AromaticContact CD2-CZ 3.77Å; L312-F534 HydrophobicContact CB-CZ 4.32Å; L312-F534 HydrophobicContact CD1-CE1 3.78Å; L312-F534 HydrophobicContact CD1-CZ 3.72Å; H403-F534 AromaticContact CE1-CD2 3.63Å; H403-F534 AromaticContact CE1-CE2 3.68Å; H403-F534 AromaticContact CE1-CG 3.84Å; H403-F534 AromaticContact CE1-CZ 3.96Å; H403-F534 AromaticContact NE2-CE2 3.62Å; H403-F534 AromaticContact NE2-CZ 3.66Å; I528-F534 WeakPolarHBondContact O-CE2 3.34Å; A531-F534 PolarHBondContact O-N 3.19Å; A531-F534 VanDerWaalsContact O-N 3.14Å
535	R	82.4	Confident	84.6	Confident	100 Å²	100	48.3 Å²	48.3	38%	0.377	26%	0.256	S	S	.	.			trans	-123.1	154.7	-177.6	-66.5	172.4	-178.3	-169.6	-0.2	110.3	R402 L533 W537 F687	R402-R535 PolarHBondContact NH2-O 3.37Å; L533-R535 PolarHBondContact O-N 3.36Å; R535-W537 PolarHBondContact O-N 3.42Å; R535-F687 PolarHBondContact NH2-O 3.13Å
536	L	89.7	Confident	84.3	Confident	26 Å²	26	53 Å²	53	14%	0.136	27%	0.267	C	S	.	.			trans	-62.5	131.3	169.6	-178.4	68.3	0	0	0	109.1	L281 F295 L299 R538 Y541 L542	L281-L536 HydrophobicContact CD1-CD1 3.72Å; L281-L536 HydrophobicContact CD2-CD1 4.03Å; L281-L536 HydrophobicContact CG-CD1 4.41Å; F295-L536 HydrophobicContact CE1-CD2 4.35Å; F295-L536 HydrophobicContact CZ-CD2 3.76Å; L299-L536 HydrophobicContact CD1-CD1 4.1Å; L299-L536 HydrophobicContact CD2-CB 4.33Å; L536-R538 VanDerWaalsContact C-N 3.25Å; L536-R538 PolarHBondContact O-N 3.21Å; L536-Y541 HydrophobicContact CD1-CD2 3.34Å; L536-Y541 HydrophobicContact CD1-CE2 4Å; L536-Y541 HydrophobicContact CD1-CG 3.9Å; L536-Y541 HydrophobicContact CG-CD2 4.01Å; L536-L542 HydrophobicContact CD2-CD1 3.82Å; L536-L542 HydrophobicContact CD2-CG 4.17Å
537	W	91.4	Very high	83.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.			trans	-69.7	85.3	170.7	-172.3	0.9	0	0	0	110.3	L398 D399 R402 I416 L419 Q420 R535 D539 L540 Y541	L398-W537 HydrophobicContact CB-CH2 4.33Å; L398-W537 HydrophobicContact CB-CZ3 4Å; D399-W537 HydrophobicContact CB-CE3 4.09Å; D399-W537 HydrophobicContact CB-CZ3 4.46Å; R402-W537 HydrophobicContact CB-CD2 4.08Å; R402-W537 HydrophobicContact CB-CE3 4.05Å; R402-W537 HydrophobicContact CB-CH2 4.24Å; R402-W537 HydrophobicContact CB-CZ2 4.23Å; R402-W537 HydrophobicContact CB-CZ3 4.14Å; R402-W537 HydrophobicContact CG-CD2 3.72Å; R402-W537 HydrophobicContact CG-CE3 4.21Å; R402-W537 HydrophobicContact CG-CG 3.94Å; R402-W537 HydrophobicContact CG-CZ2 4.09Å; I416-W537 HydrophobicContact CG2-CZ2 3.86Å; L419-W537 HydrophobicContact CB-CH2 3.57Å; L419-W537 HydrophobicContact CB-CZ2 3.93Å; Q420-W537 HydrophobicContact CG-CH2 4.41Å; Q420-W537 HydrophobicContact CG-CZ2 3.54Å; R535-W537 PolarHBondContact O-N 3.42Å; W537-D539 VanDerWaalsContact C-N 3.29Å; W537-D539 PolarHBondContact O-N 3.2Å; W537-L540 HydrophobicContact CB-CB 4.25Å; W537-L540 HydrophobicContact CD2-CB 3.55Å; W537-L540 HydrophobicContact CD2-CD2 3.98Å; W537-L540 HydrophobicContact CD2-CG 4.38Å; W537-L540 HydrophobicContact CE3-CB 3.98Å; W537-L540 HydrophobicContact CE3-CD2 3.45Å; W537-L540 VanDerWaalsContact CE3-CD2 3.45Å; W537-L540 HydrophobicContact CE3-CG 4.33Å; W537-L540 HydrophobicContact CG-CB 3.68Å; W537-L540 HydrophobicContact CH2-CD2 4.35Å; W537-L540 HydrophobicContact CZ3-CD2 3.66Å; W537-L540 PolarHBondContact O-N 2.87Å; W537-L540 VanDerWaalsContact O-N 3.09Å; W537-Y541 HydrophobicContact CB-CD2 3.95Å; W537-Y541 HydrophobicContact CB-CE2 3.81Å; W537-Y541 VanDerWaalsContact O-CD2 3.24Å; W537-Y541 WeakPolarHBondContact O-CD2 2.92Å; W537-Y541 PolarHBondContact O-N 2.86Å
538	R	87.5	Confident	83.1	Confident	51 Å²	51	49.9 Å²	49.9	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-54.7	-46.1	-174.4	-177	-178	68.4	-172.3	5.8	111.7	L536 L540 L542 H543 L548 P549 Q554	L536-R538 VanDerWaalsContact C-N 3.25Å; L536-R538 PolarHBondContact O-N 3.21Å; R538-L540 PolarHBondContact O-N 2.85Å; R538-L540 VanDerWaalsContact O-N 3.1Å; R538-L542 HydrophobicContact CG-CB 4.04Å; R538-L542 HydrophobicContact CG-CD1 4.16Å; R538-L542 CarbonylContact O-C 3.55Å; R538-L542 VanDerWaalsContact O-CA 3.31Å; R538-L542 WeakPolarHBondContact O-CA 3.39Å; R538-L542 WeakPolarHBondContact O-CB 3.48Å; R538-L542 PolarHBondContact O-N 3.22Å; R538-H543 PolarHBondContact O-N 2.85Å; R538-L548 HydrophobicContact CG-CD1 4.44Å; R538-P549 PolarHBondContact NH2-O 3.08Å; R538-Q554 VanDerWaalsContact CZ-OE1 3.27Å
539	D	84.7	Confident	82.1	Confident	26 Å²	26	50.6 Å²	50.6	14%	0.139	25%	0.248	C	C	.	.	H	α-helix	trans	-70.4	-8.4	-175	-53.3	-41.2	0	0	0	113.3	Q420 W537 H543 Y551	Q420-D539 VanDerWaalsContact NE2-C 3.34Å; Q420-D539 PolarHBondContact NE2-O 2.69Å; W537-D539 VanDerWaalsContact C-N 3.29Å; W537-D539 PolarHBondContact O-N 3.2Å; D539-H543 VanDerWaalsContact O-CB 3.28Å; D539-H543 WeakPolarHBondContact O-CB 2.98Å; D539-H543 PolarHBondContact O-ND1 2.77Å; D539-Y551 WeakPolarHBondContact OD1-CB 3.39Å; D539-Y551 VanDerWaalsContact OD2-CB 3.29Å; D539-Y551 WeakPolarHBondContact OD2-CB 3.28Å
540	L	91.6	Very high	81.1	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-100.3	-58.7	170.6	-176.8	65.6	0	0	0	111.5	F72 T395 H423 W537 R538	F72-L540 HydrophobicContact CD2-CD1 4.48Å; F72-L540 HydrophobicContact CD2-CG 4.19Å; F72-L540 HydrophobicContact CE2-CD1 4.15Å; F72-L540 HydrophobicContact CE2-CD2 4.02Å; F72-L540 HydrophobicContact CE2-CG 3.8Å; T395-L540 HydrophobicContact CG2-CD2 4.23Å; H423-L540 HydrophobicContact CB-CD1 4.32Å; W537-L540 HydrophobicContact CB-CB 4.25Å; W537-L540 HydrophobicContact CD2-CB 3.55Å; W537-L540 HydrophobicContact CD2-CD2 3.98Å; W537-L540 HydrophobicContact CD2-CG 4.38Å; W537-L540 HydrophobicContact CE3-CB 3.98Å; W537-L540 HydrophobicContact CE3-CD2 3.45Å; W537-L540 VanDerWaalsContact CE3-CD2 3.45Å; W537-L540 HydrophobicContact CE3-CG 4.33Å; W537-L540 HydrophobicContact CG-CB 3.68Å; W537-L540 HydrophobicContact CH2-CD2 4.35Å; W537-L540 HydrophobicContact CZ3-CD2 3.66Å; W537-L540 PolarHBondContact O-N 2.87Å; W537-L540 VanDerWaalsContact O-N 3.09Å; R538-L540 PolarHBondContact O-N 2.85Å; R538-L540 VanDerWaalsContact O-N 3.1Å
541	Y	92.9	Very high	80.1	Confident	10 Å²	10	57.2 Å²	57.2	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-81	-21.5	-171.1	-58.1	-70.4	0	0	0	114.5	F72 L278 L281 L282 W304 D399 L536 W537	F72-Y541 AromaticContact CD2-CD1 3.76Å; F72-Y541 HydrophobicContact CD2-CD1 3.76Å; F72-Y541 HydrophobicContact CD2-CE1 4.19Å; F72-Y541 AromaticContact CE2-CD1 3.64Å; F72-Y541 HydrophobicContact CE2-CD1 3.64Å; F72-Y541 AromaticContact CE2-CE1 3.57Å; F72-Y541 HydrophobicContact CE2-CE1 3.57Å; F72-Y541 HydrophobicContact CZ-CD1 4.38Å; F72-Y541 HydrophobicContact CZ-CE1 4.03Å; L278-Y541 HydrophobicContact CD1-CD1 4.47Å; L278-Y541 HydrophobicContact CD1-CE1 3.92Å; L281-Y541 HydrophobicContact CD2-CD1 3.82Å; L281-Y541 HydrophobicContact CD2-CD2 4.32Å; L281-Y541 HydrophobicContact CD2-CE1 3.82Å; L281-Y541 HydrophobicContact CD2-CE2 4.31Å; L281-Y541 HydrophobicContact CD2-CG 4.09Å; L282-Y541 HydrophobicContact CD2-CD1 4.18Å; W304-Y541 AromaticContact CE2-CZ 3.96Å; W304-Y541 VanDerWaalsContact CE2-OH 3.26Å; W304-Y541 WeakPolarHBondContact CZ2-OH 3.18Å; W304-Y541 AromaticContact NE1-CE2 3.97Å; W304-Y541 AromaticContact NE1-CZ 3.71Å; W304-Y541 PolarHBondContact NE1-OH 3.31Å; D399-Y541 WeakPolarHBondContact OD2-CE2 3.39Å; D399-Y541 PolarHBondContact OD2-OH 3.4Å; L536-Y541 HydrophobicContact CD1-CD2 3.34Å; L536-Y541 HydrophobicContact CD1-CE2 4Å; L536-Y541 HydrophobicContact CD1-CG 3.9Å; L536-Y541 HydrophobicContact CG-CD2 4.01Å; W537-Y541 HydrophobicContact CB-CD2 3.95Å; W537-Y541 HydrophobicContact CB-CE2 3.81Å; W537-Y541 VanDerWaalsContact O-CD2 3.24Å; W537-Y541 WeakPolarHBondContact O-CD2 2.92Å; W537-Y541 PolarHBondContact O-N 2.86Å
542	L	88.6	Confident	79.4	Confident	27 Å²	27	57.6 Å²	57.6	14%	0.141	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	17.2	179.1	-62	172.6	0	0	0	111.4	C285 F295 L536 R538 W544 E545 L548	C285-L542 HydrophobicContact CB-CD2 3.62Å; F295-L542 HydrophobicContact CE2-CD1 4.44Å; F295-L542 HydrophobicContact CE2-CD2 4.49Å; F295-L542 HydrophobicContact CZ-CD1 4.11Å; L536-L542 HydrophobicContact CD2-CD1 3.82Å; L536-L542 HydrophobicContact CD2-CG 4.17Å; R538-L542 HydrophobicContact CG-CB 4.04Å; R538-L542 HydrophobicContact CG-CD1 4.16Å; R538-L542 CarbonylContact O-C 3.55Å; R538-L542 VanDerWaalsContact O-CA 3.31Å; R538-L542 WeakPolarHBondContact O-CA 3.39Å; R538-L542 WeakPolarHBondContact O-CB 3.48Å; R538-L542 PolarHBondContact O-N 3.22Å; L542-W544 PolarHBondContact O-N 3.49Å; L542-W544 VanDerWaalsContact O-N 3.14Å; L542-E545 PolarHBondContact O-N 3.14Å; L542-E545 VanDerWaalsContact O-N 3.13Å; L542-L548 HydrophobicContact CB-CD1 3.88Å; L542-L548 HydrophobicContact CD1-CD1 3.89Å; L542-L548 HydrophobicContact CG-CD1 4.39Å
543	H	85.9	Confident	78.7	Confident	89 Å²	89	57 Å²	57	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.9	-177.9	-170.4	81.5	0	0	0	113.5	R538 D539 E545	R538-H543 PolarHBondContact O-N 2.85Å; D539-H543 VanDerWaalsContact O-CB 3.28Å; D539-H543 WeakPolarHBondContact O-CB 2.98Å; D539-H543 PolarHBondContact O-ND1 2.77Å; H543-E545 VanDerWaalsContact C-N 3.34Å
544	W	85.6	Confident	77.9	Confident	89 Å²	89	55.6 Å²	55.6	34%	0.337	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.1	-172.3	-53.2	104.1	0	0	0	114	F15 D71 R73 L542 W546	F15-W544 WeakPolarHBondContact CE2-O 3.11Å; D71-W544 PolarHBondContact O-NE1 3.19Å; D71-W544 VanDerWaalsContact OD2-CZ2 3.31Å; D71-W544 WeakPolarHBondContact OD2-CZ2 3.4Å; R73-W544 HydrophobicContact CB-CB 4.38Å; R73-W544 HydrophobicContact CB-CD2 3.82Å; R73-W544 HydrophobicContact CB-CG 3.57Å; L542-W544 PolarHBondContact O-N 3.49Å; L542-W544 VanDerWaalsContact O-N 3.14Å; W544-W546 PolarHBondContact O-N 2.97Å
545	E	82.2	Confident	76.9	Confident	19 Å²	19	59.2 Å²	59.2	9%	0.089	26%	0.256	C	S	.	.			trans	-87.9	94.7	174.1	166.3	56.1	138.4	0	0	109.2	F15 L542 H543 R547 L548	F15-E545 WeakPolarHBondContact CB-OE2 3.07Å; F15-E545 HydrophobicContact CD1-CB 4.38Å; F15-E545 HydrophobicContact CD1-CG 4.21Å; F15-E545 WeakPolarHBondContact CD1-OE1 3.45Å; F15-E545 WeakPolarHBondContact CD1-OE2 3.4Å; F15-E545 HydrophobicContact CE1-CB 3.91Å; F15-E545 VanDerWaalsContact CE1-CD 3.47Å; F15-E545 HydrophobicContact CE1-CG 4.09Å; F15-E545 HydrophobicContact CE2-CB 4.35Å; F15-E545 WeakPolarHBondContact CG-OE2 3.14Å; F15-E545 HydrophobicContact CZ-CB 3.87Å; L542-E545 PolarHBondContact O-N 3.14Å; L542-E545 VanDerWaalsContact O-N 3.13Å; H543-E545 VanDerWaalsContact C-N 3.34Å; E545-R547 PolarHBondContact O-N 2.88Å; E545-R547 IonicContact OE1-CZ 3.66Å; E545-R547 IonicContact OE1-NE 2.69Å; E545-R547 PolarHBondContact OE1-NE 3.26Å; E545-R547 IonicContact OE1-NH2 3.57Å; E545-R547 PolarHBondContact OE1-NH2 3.23Å; E545-R547 PolarHBondContact OE2-N 3Å; E545-R547 IonicContact OE2-NE 2.68Å; E545-R547 PolarHBondContact OE2-NE 3.33Å; E545-L548 HydrophobicContact CB-CD1 4.12Å; E545-L548 HydrophobicContact CB-CG 4.48Å; E545-L548 HydrophobicContact CG-CB 4.19Å; E545-L548 HydrophobicContact CG-CD1 3.61Å; E545-L548 HydrophobicContact CG-CG 3.6Å; E545-L548 PolarHBondContact O-N 3.15Å; E545-L548 VanDerWaalsContact O-N 3.14Å
546	W	79.1	Confident	75.9	Confident	149 Å²	149	60.4 Å²	60.4	56%	0.564	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17	-172.9	64.3	-99.6	0	0	0	113.5	D13 D16 W544 L548	D13-W546 PolarHBondContact OD1-NE1 2.68Å; D13-W546 PolarHBondContact OD2-NE1 3.41Å; D16-W546 HydrophobicContact CB-CZ2 3.91Å; W544-W546 PolarHBondContact O-N 2.97Å; W546-L548 PolarHBondContact O-N 2.65Å
547	R	75.2	Confident	74.7	Confident	92 Å²	92	61.2 Å²	61.2	35%	0.347	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23	174.8	-60.3	-178.7	-64.8	178.1	12.7	112.5	F15 E545	F15-R547 HydrophobicContact CB-CG 4.36Å; F15-R547 VanDerWaalsContact O-CD 3.24Å; F15-R547 WeakPolarHBondContact O-CD 3.33Å; F15-R547 VanDerWaalsContact O-CZ 3.31Å; F15-R547 PolarHBondContact O-NE 3.37Å; F15-R547 PolarHBondContact O-NH1 3.13Å; E545-R547 PolarHBondContact O-N 2.88Å; E545-R547 IonicContact OE1-CZ 3.66Å; E545-R547 IonicContact OE1-NE 2.69Å; E545-R547 PolarHBondContact OE1-NE 3.26Å; E545-R547 IonicContact OE1-NH2 3.57Å; E545-R547 PolarHBondContact OE1-NH2 3.23Å; E545-R547 PolarHBondContact OE2-N 3Å; E545-R547 IonicContact OE2-NE 2.68Å; E545-R547 PolarHBondContact OE2-NE 3.33Å
548	L	71.5	Confident	73.5	Confident	36 Å²	36	63 Å²	63	19%	0.188	28%	0.279	C	S	.	.	S	Bend	trans	-80.7	131	175.6	-69.7	171.7	0	0	0	109.2	R538 L542 E545 W546 K550 L702	R538-L548 HydrophobicContact CG-CD1 4.44Å; L542-L548 HydrophobicContact CB-CD1 3.88Å; L542-L548 HydrophobicContact CD1-CD1 3.89Å; L542-L548 HydrophobicContact CG-CD1 4.39Å; E545-L548 HydrophobicContact CB-CD1 4.12Å; E545-L548 HydrophobicContact CB-CG 4.48Å; E545-L548 HydrophobicContact CG-CB 4.19Å; E545-L548 HydrophobicContact CG-CD1 3.61Å; E545-L548 HydrophobicContact CG-CG 3.6Å; E545-L548 PolarHBondContact O-N 3.15Å; E545-L548 VanDerWaalsContact O-N 3.14Å; W546-L548 PolarHBondContact O-N 2.65Å; L548-K550 PolarHBondContact O-N 3.34Å; L548-L702 HydrophobicContact CD2-CD2 3.91Å
549	P	64.1	Low	72.3	Confident	15 Å²	15	63.9 Å²	63.9	10%	0.097	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.2	134.5	176.1	-18.9	31.1	0	0	0	109.8	R538 Y551 Q554 S703	R538-P549 PolarHBondContact NH2-O 3.08Å; P549-Y551 PolarHBondContact O-N 3.46Å; P549-Q554 HydrophobicContact CB-CG 3.61Å; P549-Q554 HydrophobicContact CG-CG 4.35Å; P549-Q554 VanDerWaalsContact CG-NE2 3.33Å; P549-S703 WeakPolarHBondContact CG-O 3.42Å
550	K	64.9	Low	71.5	Confident	153 Å²	153	66.3 Å²	66.3	67%	0.665	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-58	136	172.8	-67	-173	177.9	-176.8	0	109.2	L548 D552 L553 Q554	L548-K550 PolarHBondContact O-N 3.34Å; K550-D552 VanDerWaalsContact C-N 3.3Å; K550-D552 PolarHBondContact O-N 2.95Å; K550-L553 HydrophobicContact CB-CB 4.47Å; K550-L553 WeakPolarHBondContact O-CB 3.34Å; K550-L553 PolarHBondContact O-N 2.89Å; K550-L553 VanDerWaalsContact O-N 3.08Å; K550-Q554 PolarHBondContact O-N 3.39Å
551	Y	58.7	Low	70.5	Confident	71 Å²	71	66.2 Å²	66.2	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-57.1	-41.9	-175.7	-173.5	-94	0	0	0	113.1	D539 P549 L553 Q554 R555	D539-Y551 WeakPolarHBondContact OD1-CB 3.39Å; D539-Y551 VanDerWaalsContact OD2-CB 3.29Å; D539-Y551 WeakPolarHBondContact OD2-CB 3.28Å; P549-Y551 PolarHBondContact O-N 3.46Å; Y551-L553 VanDerWaalsContact C-N 3.31Å; Y551-L553 PolarHBondContact O-N 3.08Å; Y551-Q554 WeakPolarHBondContact O-CB 3.37Å; Y551-Q554 PolarHBondContact O-N 2.88Å; Y551-Q554 VanDerWaalsContact O-N 3.1Å; Y551-R555 HydrophobicContact CE1-CB 4.43Å; Y551-R555 WeakPolarHBondContact O-CB 3.25Å; Y551-R555 PolarHBondContact O-N 2.77Å
552	D	58.2	Low	69.3	Low	71 Å²	71	72.6 Å²	72.6	38%	0.38	33%	0.333	S	S	.	.	H	α-helix	trans	-55.5	-47	175.9	-68.5	-11.9	0	0	0	111.3	K417 K550 Q554 R555 E556	K417-D552 WeakPolarHBondContact CE-OD2 3.45Å; K417-D552 IonicContact NZ-OD2 3.06Å; K417-D552 PolarHBondContact NZ-OD2 2.84Å; K550-D552 VanDerWaalsContact C-N 3.3Å; K550-D552 PolarHBondContact O-N 2.95Å; D552-Q554 VanDerWaalsContact C-N 3.35Å; D552-Q554 PolarHBondContact O-N 3.32Å; D552-R555 PolarHBondContact O-N 3.3Å; D552-E556 WeakPolarHBondContact O-CB 3.26Å; D552-E556 VanDerWaalsContact O-CG 3.3Å; D552-E556 WeakPolarHBondContact O-CG 3.28Å; D552-E556 PolarHBondContact O-N 2.85Å
553	L	60.8	Low	68.2	Low	93 Å²	93	75.6 Å²	75.6	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-40.5	177.1	-117.3	109.2	0	0	0	112	K550 Y551 N557	K550-L553 HydrophobicContact CB-CB 4.47Å; K550-L553 WeakPolarHBondContact O-CB 3.34Å; K550-L553 PolarHBondContact O-N 2.89Å; K550-L553 VanDerWaalsContact O-N 3.08Å; Y551-L553 VanDerWaalsContact C-N 3.31Å; Y551-L553 PolarHBondContact O-N 3.08Å; L553-N557 VanDerWaalsContact O-CB 3.23Å; L553-N557 WeakPolarHBondContact O-CB 3.41Å; L553-N557 PolarHBondContact O-N 2.92Å; L553-N557 PolarHBondContact O-ND2 3.34Å; L553-N557 VanDerWaalsContact O-ND2 3.12Å
554	Q	61.1	Low	67.5	Low	25 Å²	25	72.8 Å²	72.8	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-46.1	175.3	-77.9	-178.6	-28.8	0	0	111.2	R538 P549 K550 Y551 D552 N557 H558	R538-Q554 VanDerWaalsContact CZ-OE1 3.27Å; P549-Q554 HydrophobicContact CB-CG 3.61Å; P549-Q554 HydrophobicContact CG-CG 4.35Å; P549-Q554 VanDerWaalsContact CG-NE2 3.33Å; K550-Q554 PolarHBondContact O-N 3.39Å; Y551-Q554 WeakPolarHBondContact O-CB 3.37Å; Y551-Q554 PolarHBondContact O-N 2.88Å; Y551-Q554 VanDerWaalsContact O-N 3.1Å; D552-Q554 VanDerWaalsContact C-N 3.35Å; D552-Q554 PolarHBondContact O-N 3.32Å; Q554-N557 PolarHBondContact O-N 2.84Å; Q554-H558 WeakPolarHBondContact O-CB 3.23Å; Q554-H558 PolarHBondContact O-CD2 2.93Å; Q554-H558 VanDerWaalsContact O-CG 3.24Å; Q554-H558 PolarHBondContact O-N 3.06Å
555	R	59.4	Low	66.8	Low	93 Å²	93	68.5 Å²	68.5	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-45.3	-179.8	-167.9	179.9	-173.5	-172.6	2.2	111.2	F469 Y551 D552 H558 V559	F469-R555 VanDerWaalsContact CD2-NH2 3.28Å; Y551-R555 HydrophobicContact CE1-CB 4.43Å; Y551-R555 WeakPolarHBondContact O-CB 3.25Å; Y551-R555 PolarHBondContact O-N 2.77Å; D552-R555 PolarHBondContact O-N 3.3Å; R555-H558 PolarHBondContact O-N 3.43Å; R555-V559 HydrophobicContact CG-CG2 4.48Å; R555-V559 WeakPolarHBondContact O-CB 3.3Å; R555-V559 VanDerWaalsContact O-CG2 3.28Å; R555-V559 WeakPolarHBondContact O-CG2 3.24Å; R555-V559 PolarHBondContact O-N 2.83Å
556	E	61.9	Low	66.2	Low	124 Å²	124	70.6 Å²	70.6	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-47.5	173.8	-75.1	173.4	-175.1	0	0	111.2	D552 H558 V559 S560	D552-E556 WeakPolarHBondContact O-CB 3.26Å; D552-E556 VanDerWaalsContact O-CG 3.3Å; D552-E556 WeakPolarHBondContact O-CG 3.28Å; D552-E556 PolarHBondContact O-N 2.85Å; E556-H558 VanDerWaalsContact C-N 3.35Å; E556-H558 PolarHBondContact O-N 3.46Å; E556-V559 PolarHBondContact O-N 2.68Å; E556-S560 VanDerWaalsContact O-CB 3.26Å; E556-S560 WeakPolarHBondContact O-CB 3.48Å; E556-S560 PolarHBondContact O-N 3.3Å
557	N	64	Low	65.7	Low	44 Å²	44	65.6 Å²	65.6	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-42.2	176.1	-74.4	-25.5	0	0	0	112.1	L553 Q554 S560 D561	L553-N557 VanDerWaalsContact O-CB 3.23Å; L553-N557 WeakPolarHBondContact O-CB 3.41Å; L553-N557 PolarHBondContact O-N 2.92Å; L553-N557 PolarHBondContact O-ND2 3.34Å; L553-N557 VanDerWaalsContact O-ND2 3.12Å; Q554-N557 PolarHBondContact O-N 2.84Å; N557-S560 PolarHBondContact O-N 3.09Å; N557-D561 VanDerWaalsContact O-CB 3.22Å; N557-D561 WeakPolarHBondContact O-CB 3.4Å; N557-D561 PolarHBondContact O-N 3.17Å
558	H	65	Low	65.8	Low	37 Å²	37	61.2 Å²	61.2	17%	0.171	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-40	178.6	-72.5	-54.6	0	0	0	112.9	Q554 R555 E556 D561 Y562 S706	Q554-H558 WeakPolarHBondContact O-CB 3.23Å; Q554-H558 PolarHBondContact O-CD2 2.93Å; Q554-H558 VanDerWaalsContact O-CG 3.24Å; Q554-H558 PolarHBondContact O-N 3.06Å; R555-H558 PolarHBondContact O-N 3.43Å; E556-H558 VanDerWaalsContact C-N 3.35Å; E556-H558 PolarHBondContact O-N 3.46Å; H558-D561 PolarHBondContact O-N 2.89Å; H558-Y562 WeakPolarHBondContact O-CB 3.2Å; H558-Y562 PolarHBondContact O-N 3.43Å; H558-S706 PolarHBondContact CE1-OG 3.37Å
559	V	63.1	Low	65.9	Low	70 Å²	70	60.4 Å²	60.4	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-44.5	174.6	170.7	0	0	0	0	109.6	R555 E556 D561 Y562 L563	R555-V559 HydrophobicContact CG-CG2 4.48Å; R555-V559 WeakPolarHBondContact O-CB 3.3Å; R555-V559 VanDerWaalsContact O-CG2 3.28Å; R555-V559 WeakPolarHBondContact O-CG2 3.24Å; R555-V559 PolarHBondContact O-N 2.83Å; E556-V559 PolarHBondContact O-N 2.68Å; V559-D561 VanDerWaalsContact C-N 3.34Å; V559-D561 PolarHBondContact O-N 2.83Å; V559-Y562 PolarHBondContact O-N 3.25Å; V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.37Å; V559-L563 WeakPolarHBondContact O-CB 3.27Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.45Å; V559-L563 PolarHBondContact O-N 3.06Å
560	S	67.1	Low	66.3	Low	76 Å²	76	62.2 Å²	62.2	53%	0.531	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-43.5	175.1	-173.4	0	0	0	0	112	E556 N557 L563 S564	E556-S560 VanDerWaalsContact O-CB 3.26Å; E556-S560 WeakPolarHBondContact O-CB 3.48Å; E556-S560 PolarHBondContact O-N 3.3Å; N557-S560 PolarHBondContact O-N 3.09Å; S560-L563 PolarHBondContact O-N 3.47Å; S560-S564 WeakPolarHBondContact O-CB 3.49Å; S560-S564 PolarHBondContact O-N 3.44Å
561	D	71.2	Confident	66.7	Low	8 Å²	8	55.8 Å²	55.8	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-43.5	177.3	-177.9	50.1	0	0	0	111.7	N557 H558 V559 S564 G565 V707 H708	N557-D561 VanDerWaalsContact O-CB 3.22Å; N557-D561 WeakPolarHBondContact O-CB 3.4Å; N557-D561 PolarHBondContact O-N 3.17Å; H558-D561 PolarHBondContact O-N 2.89Å; V559-D561 VanDerWaalsContact C-N 3.34Å; V559-D561 PolarHBondContact O-N 2.83Å; D561-S564 PolarHBondContact O-N 3.14Å; D561-G565 PolarHBondContact O-N 3.23Å; D561-V707 WeakPolarHBondContact OD1-CB 3.49Å; D561-H708 PolarHBondContact OD1-N 3.09Å; D561-H708 IonicContact OD2-CE1 3.6Å; D561-H708 IonicContact OD2-CG 2.76Å; D561-H708 PolarHBondContact OD2-N 3.12Å; D561-H708 IonicContact OD2-ND1 3.51Å; D561-H708 PolarHBondContact OD2-ND1 3.48Å
562	Y	67.1	Low	67.7	Low	143 Å²	143	52.9 Å²	52.9	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-46.6	174.4	176.7	-98.3	0	0	0	112.3	H558 V559 S564 G565 L566	H558-Y562 WeakPolarHBondContact O-CB 3.2Å; H558-Y562 PolarHBondContact O-N 3.43Å; V559-Y562 PolarHBondContact O-N 3.25Å; Y562-S564 VanDerWaalsContact C-N 3.33Å; Y562-S564 PolarHBondContact O-N 3.45Å; Y562-G565 PolarHBondContact O-N 3.37Å; Y562-L566 WeakPolarHBondContact O-CB 3.21Å; Y562-L566 PolarHBondContact O-N 3.08Å
563	L	65.9	Low	68.7	Low	90 Å²	90	50.9 Å²	50.9	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-39.6	177.6	-70.4	174.2	0	0	0	111.7	V559 S560 L566 S567	V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.37Å; V559-L563 WeakPolarHBondContact O-CB 3.27Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.45Å; V559-L563 PolarHBondContact O-N 3.06Å; S560-L563 PolarHBondContact O-N 3.47Å; L563-L566 PolarHBondContact O-N 2.9Å; L563-S567 PolarHBondContact O-N 3.29Å
564	S	70.5	Confident	69.5	Low	30 Å²	30	49.5 Å²	49.5	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-44.6	173.7	-168.3	0	0	0	0	111.4	S560 D561 Y562 S567 T568 S738	S560-S564 WeakPolarHBondContact O-CB 3.49Å; S560-S564 PolarHBondContact O-N 3.44Å; D561-S564 PolarHBondContact O-N 3.14Å; Y562-S564 VanDerWaalsContact C-N 3.33Å; Y562-S564 PolarHBondContact O-N 3.45Å; S564-S567 PolarHBondContact O-N 3.17Å; S564-T568 PolarHBondContact O-N 3.2Å; S564-T568 PolarHBondContact O-OG1 3.13Å; S564-S738 PolarHBondContact OG-O 3.02Å; S564-S738 VanDerWaalsContact OG-O 3.12Å
565	G	71.8	Confident	70.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-47.6	174.9	0	0	0	0	0	113.6	D561 Y562 S567 T568 L569	D561-G565 PolarHBondContact O-N 3.23Å; Y562-G565 PolarHBondContact O-N 3.37Å; G565-S567 VanDerWaalsContact C-N 3.33Å; G565-S567 PolarHBondContact O-N 2.9Å; G565-T568 PolarHBondContact O-N 2.86Å; G565-L569 WeakPolarHBondContact O-CB 3.22Å; G565-L569 WeakPolarHBondContact O-CD1 3.45Å; G565-L569 VanDerWaalsContact O-CG 3.31Å; G565-L569 WeakPolarHBondContact O-CG 3.36Å; G565-L569 PolarHBondContact O-N 3.15Å
566	L	69	Low	71.3	Confident	62 Å²	62	44.6 Å²	44.6	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-43.7	177.2	-176	65.9	0	0	0	111.4	Y562 L563 L569 L570	Y562-L566 WeakPolarHBondContact O-CB 3.21Å; Y562-L566 PolarHBondContact O-N 3.08Å; L563-L566 PolarHBondContact O-N 2.9Å; L566-L569 PolarHBondContact O-N 3.38Å; L566-L570 HydrophobicContact CG-CD1 4.36Å; L566-L570 VanDerWaalsContact O-CG 3.3Å; L566-L570 WeakPolarHBondContact O-CG 3.46Å; L566-L570 PolarHBondContact O-N 2.96Å
567	S	69.9	Low	72.1	Confident	44 Å²	44	41.5 Å²	41.5	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-46.7	176	-167.1	0	0	0	0	111.7	L563 S564 G565 L569 L570 D571	L563-S567 PolarHBondContact O-N 3.29Å; S564-S567 PolarHBondContact O-N 3.17Å; G565-S567 VanDerWaalsContact C-N 3.33Å; G565-S567 PolarHBondContact O-N 2.9Å; S567-L569 VanDerWaalsContact C-N 3.34Å; S567-L569 PolarHBondContact O-N 3.32Å; S567-L570 PolarHBondContact O-N 3.24Å; S567-D571 PolarHBondContact O-N 2.9Å
568	T	75.6	Confident	72.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-39.9	178.4	-55.9	0	0	0	0	112	S564 G565 D571 H572 I679 H710 L731 V739	S564-T568 PolarHBondContact O-N 3.2Å; S564-T568 PolarHBondContact O-OG1 3.13Å; G565-T568 PolarHBondContact O-N 2.86Å; T568-D571 PolarHBondContact O-N 3.41Å; T568-H572 VanDerWaalsContact O-CB 3.29Å; T568-H572 WeakPolarHBondContact O-CB 3.47Å; T568-H572 PolarHBondContact O-N 3.2Å; T568-I679 HydrophobicContact CG2-CD1 3.66Å; T568-I679 HydrophobicContact CG2-CG1 4.19Å; T568-H710 PolarHBondContact OG1-NE2 3.01Å; T568-L731 HydrophobicContact CG2-CD2 3.83Å; T568-V739 HydrophobicContact CG2-CG1 4.29Å; T568-V739 HydrophobicContact CG2-CG2 4.03Å
569	L	74.6	Confident	73.5	Confident	19 Å²	19	37.9 Å²	37.9	10%	0.099	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-40.2	176.6	-78.5	161	0	0	0	112.1	G565 L566 S567 H572 N573 F630 I679 V681	G565-L569 WeakPolarHBondContact O-CB 3.22Å; G565-L569 WeakPolarHBondContact O-CD1 3.45Å; G565-L569 VanDerWaalsContact O-CG 3.31Å; G565-L569 WeakPolarHBondContact O-CG 3.36Å; G565-L569 PolarHBondContact O-N 3.15Å; L566-L569 PolarHBondContact O-N 3.38Å; S567-L569 VanDerWaalsContact C-N 3.34Å; S567-L569 PolarHBondContact O-N 3.32Å; L569-H572 PolarHBondContact O-N 3.46Å; L569-N573 WeakPolarHBondContact O-CB 3.38Å; L569-N573 PolarHBondContact O-N 2.86Å; L569-F630 HydrophobicContact CB-CE1 4.36Å; L569-F630 HydrophobicContact CB-CZ 4.42Å; L569-F630 HydrophobicContact CD1-CZ 3.95Å; L569-F630 HydrophobicContact CD2-CE1 4.19Å; L569-F630 HydrophobicContact CD2-CZ 3.85Å; L569-F630 HydrophobicContact CG-CZ 4.3Å; L569-I679 HydrophobicContact CD2-CG2 3.69Å; L569-I679 HydrophobicContact CG-CG2 4.26Å; L569-V681 HydrophobicContact CD2-CG1 4.07Å
570	L	72.1	Confident	74.2	Confident	52 Å²	52	37.3 Å²	37.3	27%	0.272	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-45.5	174.8	-72.1	170.2	0	0	0	111.3	L566 S567 H572 N573 R574	L566-L570 HydrophobicContact CG-CD1 4.36Å; L566-L570 VanDerWaalsContact O-CG 3.3Å; L566-L570 WeakPolarHBondContact O-CG 3.46Å; L566-L570 PolarHBondContact O-N 2.96Å; S567-L570 PolarHBondContact O-N 3.24Å; L570-H572 VanDerWaalsContact C-N 3.34Å; L570-H572 PolarHBondContact O-N 3.09Å; L570-N573 PolarHBondContact O-N 3.16Å; L570-R574 VanDerWaalsContact O-CG 3.25Å; L570-R574 WeakPolarHBondContact O-CG 3.43Å; L570-R574 PolarHBondContact O-N 3.48Å
571	D	74.2	Confident	74.6	Confident	18 Å²	18	38.2 Å²	38.2	10%	0.096	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-40.7	177	-74.4	-20.9	0	0	0	112.1	S567 T568 R574 L575 L731	S567-D571 PolarHBondContact O-N 2.9Å; T568-D571 PolarHBondContact O-N 3.41Å; D571-R574 PolarHBondContact O-N 3.48Å; D571-L575 PolarHBondContact O-N 2.89Å; D571-L731 HydrophobicContact CB-CD2 4.2Å
572	H	80	Confident	75	Confident	10 Å²	10	38.8 Å²	38.8	5%	0.046	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-42.7	176.4	-174	53.6	0	0	0	112.4	T568 L569 L570 R574 L575 L576 E675 I679	T568-H572 VanDerWaalsContact O-CB 3.29Å; T568-H572 WeakPolarHBondContact O-CB 3.47Å; T568-H572 PolarHBondContact O-N 3.2Å; L569-H572 PolarHBondContact O-N 3.46Å; L570-H572 VanDerWaalsContact C-N 3.34Å; L570-H572 PolarHBondContact O-N 3.09Å; H572-R574 VanDerWaalsContact C-N 3.33Å; H572-R574 PolarHBondContact O-N 3.34Å; H572-L575 WeakPolarHBondContact O-CB 3.42Å; H572-L575 PolarHBondContact O-N 3.25Å; H572-L575 VanDerWaalsContact O-N 3.15Å; H572-L576 WeakPolarHBondContact NE2-CD1 3.44Å; H572-L576 WeakPolarHBondContact O-CG 3.4Å; H572-L576 PolarHBondContact O-N 3.02Å; H572-E675 PolarHBondContact CE1-O 3.44Å; H572-I679 HydrophobicContact CB-CB 4.27Å; H572-I679 HydrophobicContact CB-CG1 3.91Å
573	N	79.4	Confident	75.5	Confident	29 Å²	29	34.8 Å²	34.8	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-46.3	176	-170.3	3	0	0	0	110.9	L569 L570 L575 L576 E577	L569-N573 WeakPolarHBondContact O-CB 3.38Å; L569-N573 PolarHBondContact O-N 2.86Å; L570-N573 PolarHBondContact O-N 3.16Å; N573-L575 VanDerWaalsContact C-N 3.29Å; N573-L575 PolarHBondContact O-N 3.11Å; N573-L576 PolarHBondContact O-N 2.69Å; N573-E577 WeakPolarHBondContact O-CG 3.39Å; N573-E577 PolarHBondContact O-N 3.19Å
574	R	75.6	Confident	76	Confident	65 Å²	65	32.1 Å²	32.1	25%	0.245	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-41	176.4	-59.9	168	155.5	-164.1	-15.2	110.7	L570 D571 H572 L576 E577 A578 K653 W732	L570-R574 VanDerWaalsContact O-CG 3.25Å; L570-R574 WeakPolarHBondContact O-CG 3.43Å; L570-R574 PolarHBondContact O-N 3.48Å; D571-R574 PolarHBondContact O-N 3.48Å; H572-R574 VanDerWaalsContact C-N 3.33Å; H572-R574 PolarHBondContact O-N 3.34Å; R574-L576 VanDerWaalsContact C-N 3.35Å; R574-L576 PolarHBondContact O-N 2.95Å; R574-E577 WeakPolarHBondContact O-CB 3.31Å; R574-E577 PolarHBondContact O-N 2.66Å; R574-A578 PolarHBondContact O-N 3.18Å; R574-K653 PolarHBondContact NH2-O 3.4Å; R574-W732 VanDerWaalsContact C-CH2 3.5Å; R574-W732 HydrophobicContact CB-CE3 3.57Å; R574-W732 HydrophobicContact CB-CH2 4.47Å; R574-W732 HydrophobicContact CB-CZ3 3.27Å; R574-W732 WeakPolarHBondContact O-CH2 3.22Å; R574-W732 WeakPolarHBondContact O-CZ3 3.27Å
575	L	79	Confident	76.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-48.6	177.1	170.5	60.6	0	0	0	111.4	D571 H572 N573 E577 A578 R579 L664 E675 W732	D571-L575 PolarHBondContact O-N 2.89Å; H572-L575 WeakPolarHBondContact O-CB 3.42Å; H572-L575 PolarHBondContact O-N 3.25Å; H572-L575 VanDerWaalsContact O-N 3.15Å; N573-L575 VanDerWaalsContact C-N 3.29Å; N573-L575 PolarHBondContact O-N 3.11Å; L575-E577 VanDerWaalsContact C-N 3.32Å; L575-E577 PolarHBondContact O-N 3.04Å; L575-A578 PolarHBondContact O-N 2.88Å; L575-R579 HydrophobicContact CD1-CG 4.39Å; L575-R579 PolarHBondContact O-N 3.2Å; L575-L664 HydrophobicContact CD1-CD2 4.33Å; L575-E675 HydrophobicContact CD2-CG 4.33Å; L575-W732 VanDerWaalsContact CA-CH2 3.41Å; L575-W732 HydrophobicContact CB-CH2 4.38Å; L575-W732 HydrophobicContact CB-CZ3 4.42Å; L575-W732 HydrophobicContact CD1-CZ2 4.31Å
576	L	80.5	Confident	76.6	Confident	14 Å²	14	41 Å²	41	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-38.6	178.6	-64.1	177.5	0	0	0	111.6	H572 N573 R574 A578 R579 I580 L627 M676	H572-L576 WeakPolarHBondContact NE2-CD1 3.44Å; H572-L576 WeakPolarHBondContact O-CG 3.4Å; H572-L576 PolarHBondContact O-N 3.02Å; N573-L576 PolarHBondContact O-N 2.69Å; R574-L576 VanDerWaalsContact C-N 3.35Å; R574-L576 PolarHBondContact O-N 2.95Å; L576-A578 VanDerWaalsContact C-N 3.34Å; L576-A578 PolarHBondContact O-N 2.87Å; L576-R579 PolarHBondContact O-N 3.43Å; L576-I580 WeakPolarHBondContact O-CB 3.3Å; L576-I580 VanDerWaalsContact O-CG1 3.23Å; L576-I580 WeakPolarHBondContact O-CG1 3.35Å; L576-I580 PolarHBondContact O-N 3.39Å; L576-L627 HydrophobicContact CD1-CD1 4.01Å; L576-L627 HydrophobicContact CD1-CD2 3.31Å; L576-L627 HydrophobicContact CD1-CG 4.25Å; L576-M676 HydrophobicContact CD2-CG 4.28Å
577	E	77.8	Confident	76.8	Confident	59 Å²	59	41.9 Å²	41.9	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-40.4	173.2	-71.6	-177.3	166.9	0	0	112.4	N573 R574 L575 R581 Q631 V657	N573-E577 WeakPolarHBondContact O-CG 3.39Å; N573-E577 PolarHBondContact O-N 3.19Å; R574-E577 WeakPolarHBondContact O-CB 3.31Å; R574-E577 PolarHBondContact O-N 2.66Å; L575-E577 VanDerWaalsContact C-N 3.32Å; L575-E577 PolarHBondContact O-N 3.04Å; E577-R581 WeakPolarHBondContact O-CG 3.47Å; E577-R581 PolarHBondContact O-N 2.95Å; E577-R581 VanDerWaalsContact O-N 3.16Å; E577-Q631 PolarHBondContact OE1-NE2 3.14Å; E577-V657 HydrophobicContact CB-CG1 4.32Å
578	A	78.5	Confident	77	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-37.3	175.5	0	0	0	0	0	113	R574 L575 L576 I580 R581 Q582 V657 L664 W732	R574-A578 PolarHBondContact O-N 3.18Å; L575-A578 PolarHBondContact O-N 2.88Å; L576-A578 VanDerWaalsContact C-N 3.34Å; L576-A578 PolarHBondContact O-N 2.87Å; A578-I580 VanDerWaalsContact C-N 3.35Å; A578-R581 PolarHBondContact O-N 3.3Å; A578-Q582 WeakPolarHBondContact O-CB 3.39Å; A578-Q582 PolarHBondContact O-N 3.26Å; A578-V657 HydrophobicContact CB-CG1 4.22Å; A578-L664 HydrophobicContact CB-CD1 3.73Å; A578-W732 HydrophobicContact CB-CH2 3.48Å; A578-W732 VanDerWaalsContact CB-CH2 3.48Å; A578-W732 HydrophobicContact CB-CZ2 3.98Å
579	R	79.9	Confident	76.3	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-42.4	173.9	-74.1	-60.9	-170.4	-162.1	-0.8	112.3	L575 L576 R581 Q582 L583 S665 L672 E675	L575-R579 HydrophobicContact CD1-CG 4.39Å; L575-R579 PolarHBondContact O-N 3.2Å; L576-R579 PolarHBondContact O-N 3.43Å; R579-R581 VanDerWaalsContact C-N 3.33Å; R579-R581 PolarHBondContact O-N 2.93Å; R579-Q582 PolarHBondContact O-N 2.97Å; R579-L583 WeakPolarHBondContact O-CB 3.47Å; R579-L583 WeakPolarHBondContact O-CG 3.38Å; R579-L583 PolarHBondContact O-N 3.28Å; R579-S665 PolarHBondContact NH1-O 2.87Å; R579-L672 HydrophobicContact CB-CD2 4.31Å; R579-L672 HydrophobicContact CG-CD2 4.23Å; R579-E675 WeakPolarHBondContact CG-OE2 3.3Å; R579-E675 IonicContact CZ-OE1 3.14Å; R579-E675 IonicContact CZ-OE2 2.81Å; R579-E675 IonicContact NE-OE1 3.75Å; R579-E675 PolarHBondContact NE-OE1 2.95Å; R579-E675 IonicContact NE-OE2 3.61Å; R579-E675 PolarHBondContact NE-OE2 2.91Å; R579-E675 IonicContact NH2-OE1 3.42Å; R579-E675 PolarHBondContact NH2-OE1 3.45Å; R579-E675 IonicContact NH2-OE2 2.73Å
580	I	78.4	Confident	75.4	Confident	58 Å²	58	59.3 Å²	59.3	30%	0.297	28%	0.277	S	S	.	.	H	α-helix	trans	-57.3	-47	173.9	-75.4	169.3	0	0	0	110.5	L576 A578 Q582 L583 Q584 F593	L576-I580 WeakPolarHBondContact O-CB 3.3Å; L576-I580 VanDerWaalsContact O-CG1 3.23Å; L576-I580 WeakPolarHBondContact O-CG1 3.35Å; L576-I580 PolarHBondContact O-N 3.39Å; A578-I580 VanDerWaalsContact C-N 3.35Å; I580-Q582 PolarHBondContact O-N 3.45Å; I580-L583 PolarHBondContact O-N 2.84Å; I580-Q584 VanDerWaalsContact O-CG 3.27Å; I580-Q584 WeakPolarHBondContact O-CG 3.47Å; I580-Q584 PolarHBondContact O-N 3.12Å; I580-F593 HydrophobicContact CG2-CE2 4.01Å; I580-F593 HydrophobicContact CG2-CZ 3.54Å
581	R	75.5	Confident	74.5	Confident	96 Å²	96	59.7 Å²	59.7	36%	0.362	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.7	-71.1	178.1	-175.3	-127.7	2.4	112.7	E577 A578 R579 Q584 E585	E577-R581 WeakPolarHBondContact O-CG 3.47Å; E577-R581 PolarHBondContact O-N 2.95Å; E577-R581 VanDerWaalsContact O-N 3.16Å; A578-R581 PolarHBondContact O-N 3.3Å; R579-R581 VanDerWaalsContact C-N 3.33Å; R579-R581 PolarHBondContact O-N 2.93Å; R581-Q584 WeakPolarHBondContact O-CB 3.34Å; R581-Q584 PolarHBondContact O-N 3.34Å; R581-E585 PolarHBondContact O-N 3.48Å; R581-E585 VanDerWaalsContact O-N 3.09Å
582	Q	79.2	Confident	73.3	Confident	19 Å²	19	64.6 Å²	64.6	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-41.4	176.7	-166.1	-178.3	29.8	0	0	111.8	A578 R579 I580 E585 L586 L664 S665	A578-Q582 WeakPolarHBondContact O-CB 3.39Å; A578-Q582 PolarHBondContact O-N 3.26Å; R579-Q582 PolarHBondContact O-N 2.97Å; I580-Q582 PolarHBondContact O-N 3.45Å; Q582-E585 PolarHBondContact O-N 3.44Å; Q582-L586 WeakPolarHBondContact O-CG 3.26Å; Q582-L586 PolarHBondContact O-N 2.98Å; Q582-L664 PolarHBondContact NE2-O 3.41Å; Q582-S665 PolarHBondContact NE2-O 2.83Å
583	L	78.1	Confident	71.6	Confident	60 Å²	60	69.3 Å²	69.3	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-39.6	174.8	-71.6	170.5	0	0	0	111.9	R579 I580 E585 L586 L587 L672	R579-L583 WeakPolarHBondContact O-CB 3.47Å; R579-L583 WeakPolarHBondContact O-CG 3.38Å; R579-L583 PolarHBondContact O-N 3.28Å; I580-L583 PolarHBondContact O-N 2.84Å; L583-E585 VanDerWaalsContact C-N 3.3Å; L583-E585 PolarHBondContact O-N 2.89Å; L583-L586 PolarHBondContact O-N 3.38Å; L583-L587 VanDerWaalsContact O-CB 3.27Å; L583-L587 WeakPolarHBondContact O-CB 3.5Å; L583-L587 VanDerWaalsContact O-CG 3.22Å; L583-L587 WeakPolarHBondContact O-CG 3.25Å; L583-L587 PolarHBondContact O-N 3.33Å; L583-L672 HydrophobicContact CD1-CD1 4.22Å; L583-L672 HydrophobicContact CD2-CD1 4.25Å
584	Q	76	Confident	69.7	Low	33 Å²	33	70 Å²	70	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-42.2	173.7	-76.1	173.7	-9.9	0	0	112.3	I580 R581 K588 C589 I591	I580-Q584 VanDerWaalsContact O-CG 3.27Å; I580-Q584 WeakPolarHBondContact O-CG 3.47Å; I580-Q584 PolarHBondContact O-N 3.12Å; R581-Q584 WeakPolarHBondContact O-CB 3.34Å; R581-Q584 PolarHBondContact O-N 3.34Å; Q584-K588 PolarHBondContact O-N 3.41Å; Q584-C589 WeakPolarHBondContact CA-O 3.29Å; Q584-C589 VanDerWaalsContact CB-O 3.25Å; Q584-C589 WeakPolarHBondContact CB-O 3.34Å; Q584-C589 PolarHBondContact O-N 2.99Å; Q584-I591 HydrophobicContact CG-CD1 4.46Å; Q584-I591 HydrophobicContact CG-CG1 4.38Å; Q584-I591 PolarHBondContact NE2-O 3.4Å
585	E	77.3	Confident	68	Low	131 Å²	131	76.6 Å²	76.6	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-65.2	-47.2	175.2	-76.4	179.8	-178.8	0	0	112.4	R581 Q582 L583 L587 K588 Q661	R581-E585 PolarHBondContact O-N 3.48Å; R581-E585 VanDerWaalsContact O-N 3.09Å; Q582-E585 PolarHBondContact O-N 3.44Å; L583-E585 VanDerWaalsContact C-N 3.3Å; L583-E585 PolarHBondContact O-N 2.89Å; E585-L587 VanDerWaalsContact C-N 3.32Å; E585-L587 PolarHBondContact O-N 2.87Å; E585-K588 PolarHBondContact O-N 3.48Å; E585-Q661 PolarHBondContact OE1-NE2 3.03Å; E585-Q661 PolarHBondContact OE2-NE2 3.24Å
586	L	77.9	Confident	66	Low	85 Å²	85	82.8 Å²	82.8	45%	0.445	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-39.1	178.6	-71.3	169.8	0	0	0	112.3	Q582 L583 K588 Q666	Q582-L586 WeakPolarHBondContact O-CG 3.26Å; Q582-L586 PolarHBondContact O-N 2.98Å; L583-L586 PolarHBondContact O-N 3.38Å; L586-K588 VanDerWaalsContact C-N 3.32Å; L586-Q666 HydrophobicContact CD1-CG 4.15Å
587	L	73.9	Confident	64	Low	82 Å²	82	88 Å²	88	43%	0.429	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.8	-179.1	-64	-178	0	0	0	113.6	L583 E585 C589 L610	L583-L587 VanDerWaalsContact O-CB 3.27Å; L583-L587 WeakPolarHBondContact O-CB 3.5Å; L583-L587 VanDerWaalsContact O-CG 3.22Å; L583-L587 WeakPolarHBondContact O-CG 3.25Å; L583-L587 PolarHBondContact O-N 3.33Å; E585-L587 VanDerWaalsContact C-N 3.32Å; E585-L587 PolarHBondContact O-N 2.87Å; L587-C589 HydrophobicContact CB-CB 4.47Å; L587-C589 PolarHBondContact O-N 3.46Å; L587-L610 HydrophobicContact CD1-CD1 3.97Å; L587-L610 HydrophobicContact CD2-CD1 3.51Å; L587-L610 HydrophobicContact CD2-CD2 4.2Å; L587-L610 HydrophobicContact CD2-CG 4.43Å; L587-L610 HydrophobicContact CG-CD1 4.33Å
588	K	73.3	Confident	62.2	Low	199 Å²	199	87 Å²	87	87%	0.865	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	33.9	-172.2	-58.6	-179.1	178.5	178.7	0	112.5	Q584 E585 L586	Q584-K588 PolarHBondContact O-N 3.41Å; E585-K588 PolarHBondContact O-N 3.48Å; L586-K588 VanDerWaalsContact C-N 3.32Å
589	C	60.6	Low	60.2	Low	27 Å²	27	91.7 Å²	91.7	18%	0.182	46%	0.464	C	S	.	.			trans	-115.8	127.3	178.7	83.2	0	0	0	0	109.8	Q584 L587	Q584-C589 WeakPolarHBondContact CA-O 3.29Å; Q584-C589 VanDerWaalsContact CB-O 3.25Å; Q584-C589 WeakPolarHBondContact CB-O 3.34Å; Q584-C589 PolarHBondContact O-N 2.99Å; L587-C589 HydrophobicContact CB-CB 4.47Å; L587-C589 PolarHBondContact O-N 3.46Å
590	K	55.8	Low	58.3	Low	203 Å²	203	97.6 Å²	97.6	88%	0.883	50%	0.495	S	S	*	.			trans	-90.5	103.3	168.4	-93	-178.2	169.7	178.7	0	107.7	V592	K590-V592 PolarHBondContact O-N 2.87Å
591	I	54.2	Low	56.5	Low	60 Å²	60	98.8 Å²	98.8	31%	0.308	51%	0.509	S	S	.	.			trans	-84.5	111.6	166.6	-50.2	172.7	0	0	0	106.5	Q584 F593 L598	Q584-I591 HydrophobicContact CG-CD1 4.46Å; Q584-I591 HydrophobicContact CG-CG1 4.38Å; Q584-I591 PolarHBondContact NE2-O 3.4Å; I591-F593 PolarHBondContact O-N 3.38Å; I591-L598 HydrophobicContact CG2-CD1 4.44Å
592	V	49.6	Very low	54.9	Low	122 Å²	122	96 Å²	96	74%	0.739	50%	0.501	S	S	*	.			trans	-78.4	114.9	174.2	179.3	0	0	0	0	107.7	K590 G594	K590-V592 PolarHBondContact O-N 2.87Å; V592-G594 PolarHBondContact O-N 3.45Å
593	F	43.9	Very low	53.1	Low	108 Å²	108	99.8 Å²	99.8	47%	0.474	52%	0.522	S	S	.	.			trans	-73.4	79.8	172.5	-69.2	-83.9	0	0	0	109.7	I580 I591 F628	I580-F593 HydrophobicContact CG2-CE2 4.01Å; I580-F593 HydrophobicContact CG2-CZ 3.54Å; I591-F593 PolarHBondContact O-N 3.38Å; F593-F628 AromaticContact CD1-CE1 3.95Å; F593-F628 HydrophobicContact CD1-CE1 3.95Å; F593-F628 AromaticContact CD1-CZ 3.61Å; F593-F628 HydrophobicContact CD1-CZ 3.61Å; F593-F628 HydrophobicContact CE1-CE1 4.23Å; F593-F628 HydrophobicContact CE1-CE2 4.45Å; F593-F628 AromaticContact CE1-CZ 3.52Å; F593-F628 HydrophobicContact CE1-CZ 3.52Å
594	G	39.6	Very low	51.5	Low	44 Å²	44	105.4 Å²	105.4	45%	0.454	54%	0.544	S	S	.	.			trans	-81.2	135.6	169.9	0	0	0	0	0	110.3	V592 N596	V592-G594 PolarHBondContact O-N 3.45Å; G594-N596 PolarHBondContact O-N 3.21Å
595	K	38.9	Very low	50	Low	203 Å²	203	107.4 Å²	107.4	88%	0.883	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-6.3	-173.2	-88.3	-179.3	173.6	179	0	116.2
596	N	37.3	Very low	48.2	Very low	131 Å²	131	104.6 Å²	104.6	70%	0.701	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	3.1	-171.8	-78.8	-34.7	0	0	0	119.5	G594	G594-N596 PolarHBondContact O-N 3.21Å
597	D	38.4	Very low	46.4	Very low	124 Å²	124	104 Å²	104	66%	0.663	55%	0.55	S	S	*	*			trans	-133.8	35	-166.2	-81.9	-41.7	0	0	0	117.7
598	L	39.1	Very low	44.9	Very low	36 Å²	36	104.4 Å²	104.4	19%	0.188	56%	0.56	C	S	.	*	H	α-helix	trans	-79.8	-30	-168.4	-139.7	80.2	0	0	0	115.9	I591 N600 S601 I602 I624 F628	I591-L598 HydrophobicContact CG2-CD1 4.44Å; L598-N600 VanDerWaalsContact C-N 3.33Å; L598-N600 PolarHBondContact O-N 3.42Å; L598-S601 PolarHBondContact O-N 3.39Å; L598-I602 HydrophobicContact CB-CD1 4.46Å; L598-I602 HydrophobicContact CD2-CD1 3.63Å; L598-I602 HydrophobicContact CG-CD1 3.66Å; L598-I602 HydrophobicContact CG-CG1 4.2Å; L598-I602 WeakPolarHBondContact O-CD1 3.45Å; L598-I602 VanDerWaalsContact O-CG1 3.32Å; L598-I602 WeakPolarHBondContact O-CG1 3.14Å; L598-I602 PolarHBondContact O-N 3.19Å; L598-I624 HydrophobicContact CD2-CG2 4.19Å; L598-F628 HydrophobicContact CD2-CD2 3.9Å; L598-F628 HydrophobicContact CD2-CE1 4.46Å; L598-F628 HydrophobicContact CD2-CE2 3.12Å; L598-F628 HydrophobicContact CD2-CZ 3.42Å; L598-F628 VanDerWaalsContact CD2-CZ 3.42Å
599	C	38.1	Very low	43.5	Very low	100 Å²	100	103.5 Å²	103.5	68%	0.676	56%	0.555	S	S	*	*	H	α-helix	trans	-67.8	-31.6	-174.6	-135.8	0	0	0	0	113
600	N	39.3	Very low	42.2	Very low	128 Å²	128	106.3 Å²	106.3	68%	0.684	57%	0.568	S	S	*	*	H	α-helix	trans	-90.7	-18	-177.1	-71.4	-28	0	0	0	114	L598	L598-N600 VanDerWaalsContact C-N 3.33Å; L598-N600 PolarHBondContact O-N 3.42Å
601	S	41.2	Very low	41.4	Very low	83 Å²	83	104.5 Å²	104.5	58%	0.58	57%	0.565	S	S	*	*	H	α-helix	trans	-90.9	-31	-178.4	-114.2	0	0	0	0	113	L598 D603	L598-S601 PolarHBondContact O-N 3.39Å; S601-D603 VanDerWaalsContact C-N 3.3Å; S601-D603 PolarHBondContact O-N 2.82Å
602	I	41.2	Very low	40.9	Very low	37 Å²	37	110 Å²	110	19%	0.19	60%	0.595	C	S	.	*	H	α-helix	trans	-66.6	-34.8	177.9	-71	173.6	0	0	0	110.9	L598 K604 I606 I624	L598-I602 HydrophobicContact CB-CD1 4.46Å; L598-I602 HydrophobicContact CD2-CD1 3.63Å; L598-I602 HydrophobicContact CG-CD1 3.66Å; L598-I602 HydrophobicContact CG-CG1 4.2Å; L598-I602 WeakPolarHBondContact O-CD1 3.45Å; L598-I602 VanDerWaalsContact O-CG1 3.32Å; L598-I602 WeakPolarHBondContact O-CG1 3.14Å; L598-I602 PolarHBondContact O-N 3.19Å; I602-K604 VanDerWaalsContact C-N 3.33Å; I602-K604 PolarHBondContact O-N 3.41Å; I602-I606 HydrophobicContact CG2-CD1 4.07Å; I602-I624 HydrophobicContact CD1-CG2 4.38Å
603	D	42.5	Very low	40.8	Very low	100 Å²	100	109.7 Å²	109.7	54%	0.535	59%	0.589	S	S	.	*	H	α-helix	trans	-74.6	-16.8	-173.4	-148.1	16	0	0	0	114.4	S601 T607	S601-D603 VanDerWaalsContact C-N 3.3Å; S601-D603 PolarHBondContact O-N 2.82Å; D603-T607 WeakPolarHBondContact O-CG2 3.3Å; D603-T607 PolarHBondContact O-OG1 3.07Å
604	K	44.2	Very low	40.9	Very low	178 Å²	178	110.9 Å²	110.9	77%	0.774	60%	0.6	S	S	*	*	H	α-helix	trans	-105.3	-22.3	-176.9	-74.7	-177.8	177.9	176.9	0	115.1	I602	I602-K604 VanDerWaalsContact C-N 3.33Å; I602-K604 PolarHBondContact O-N 3.41Å
605	S	43.7	Very low	41.2	Very low	75 Å²	75	117.4 Å²	117.4	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-102.9	-23.5	-174.5	-175	0	0	0	0	114
606	I	40.3	Very low	41.7	Very low	71 Å²	71	112.2 Å²	112.2	36%	0.364	60%	0.601	S	S	.	*	S	Bend	trans	-96.9	-25.5	-175.2	-58.8	-174.2	0	0	0	111.2	I602 S608	I602-I606 HydrophobicContact CG2-CD1 4.07Å; I606-S608 VanDerWaalsContact C-N 3.27Å; I606-S608 PolarHBondContact O-N 3.09Å
607	T	40.1	Very low	42.1	Very low	74 Å²	74	110.6 Å²	110.6	45%	0.454	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	-179.4	27.4	0	0	0	0	115.9	D603	D603-T607 WeakPolarHBondContact O-CG2 3.3Å; D603-T607 PolarHBondContact O-OG1 3.07Å
608	S	41.6	Very low	42.7	Very low	90 Å²	90	109.8 Å²	109.8	63%	0.629	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-5.5	-176	63.6	0	0	0	0	115.6	I606	I606-S608 VanDerWaalsContact C-N 3.27Å; I606-S608 PolarHBondContact O-N 3.09Å
609	K	43	Very low	43.1	Very low	179 Å²	179	110.5 Å²	110.5	78%	0.778	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.1	-9.5	-168.6	-76.1	-177	179.4	174.8	0	117.2
610	L	34.9	Very low	43.5	Very low	87 Å²	87	109.7 Å²	109.7	46%	0.455	58%	0.583	S	S	.	*	S	Bend	trans	-141.4	106.3	-172.6	-67.8	162.1	0	0	0	111.8	L587	L587-L610 HydrophobicContact CD1-CD1 3.97Å; L587-L610 HydrophobicContact CD2-CD1 3.51Å; L587-L610 HydrophobicContact CD2-CD2 4.2Å; L587-L610 HydrophobicContact CD2-CG 4.43Å; L587-L610 HydrophobicContact CG-CD1 4.33Å
611	M	37.9	Very low	44	Very low	165 Å²	165	106.3 Å²	106.3	81%	0.813	57%	0.565	S	S	*	*			trans	81.1	131.5	144.7	-49.4	-175.8	83.6	0	0	118.4	D613	M611-D613 PolarHBondContact O-N 2.8Å
612	N	45.1	Very low	44.3	Very low	174 Å²	174	105.9 Å²	105.9	93%	0.93	56%	0.556	S	S	*	*	S	Bend	trans	-86.4	16.3	-168.2	-73.9	-23.9	0	0	0	115.3
613	D	45.5	Very low	44.6	Very low	117 Å²	117	106.2 Å²	106.2	63%	0.626	56%	0.559	S	S	*	*			trans	-122	112.4	-175.4	-84.6	-31.9	0	0	0	112.1	M611 E615	M611-D613 PolarHBondContact O-N 2.8Å; D613-E615 VanDerWaalsContact C-N 3.31Å; D613-E615 PolarHBondContact O-N 2.99Å
614	D	47.5	Very low	44.7	Very low	132 Å²	132	104 Å²	104	71%	0.706	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.1	-179.5	-85.9	-36.4	0	0	0	113.6	K617	D614-K617 VanDerWaalsContact O-CB 3.27Å; D614-K617 WeakPolarHBondContact O-CB 3.47Å; D614-K617 PolarHBondContact O-N 3.2Å; D614-K617 IonicContact OD1-NZ 2.8Å
615	E	45.4	Very low	44.8	Very low	182 Å²	182	98.8 Å²	98.8	85%	0.85	53%	0.533	S	S	*	.	H	α-helix	trans	-72.2	-30.9	-177.8	-78.5	-170.4	153.6	0	0	113.9	D613 K617	D613-E615 VanDerWaalsContact C-N 3.31Å; D613-E615 PolarHBondContact O-N 2.99Å; E615-K617 VanDerWaalsContact C-N 3.29Å
616	N	50	Low	45	Very low	94 Å²	94	100.4 Å²	100.4	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-79.7	-15	176.7	-80	-48.5	0	0	0	112.8	V620	N616-V620 WeakPolarHBondContact O-CG2 3.36Å; N616-V620 PolarHBondContact O-N 2.85Å
617	K	44.7	Very low	45.1	Very low	97 Å²	97	99.3 Å²	99.3	42%	0.422	53%	0.53	S	S	.	.	H	α-helix	trans	-70.3	-43.6	-174	-153.5	177.8	-175.4	-178.8	0	111.8	D614 E615 I621	D614-K617 VanDerWaalsContact O-CB 3.27Å; D614-K617 WeakPolarHBondContact O-CB 3.47Å; D614-K617 PolarHBondContact O-N 3.2Å; D614-K617 IonicContact OD1-NZ 2.8Å; E615-K617 VanDerWaalsContact C-N 3.29Å; K617-I621 WeakPolarHBondContact O-CD1 3.23Å; K617-I621 VanDerWaalsContact O-CG1 3.29Å; K617-I621 WeakPolarHBondContact O-CG1 3.43Å; K617-I621 PolarHBondContact O-N 2.98Å
618	Q	50.8	Low	45.2	Very low	106 Å²	106	99 Å²	99	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-72.4	-40.7	-178.4	-167.7	60	44.4	0	0	112.4	V620 I621 D622	Q618-V620 VanDerWaalsContact C-N 3.32Å; Q618-V620 PolarHBondContact O-N 3.33Å; Q618-I621 PolarHBondContact O-N 3.15Å; Q618-D622 PolarHBondContact NE2-OD1 2.83Å; Q618-D622 WeakPolarHBondContact O-CB 3.08Å; Q618-D622 VanDerWaalsContact O-CG 3.24Å; Q618-D622 PolarHBondContact O-N 2.9Å
619	A	47.4	Very low	45.3	Very low	52 Å²	52	101.4 Å²	101.4	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-36.4	-179.2	0	0	0	0	0	113.3	T623	A619-T623 PolarHBondContact O-N 3.23Å; A619-T623 VanDerWaalsContact O-N 3.15Å; A619-T623 PolarHBondContact O-OG1 3.01Å
620	V	46.7	Very low	45.1	Very low	83 Å²	83	94.9 Å²	94.9	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-70.3	-41.8	175.9	173.8	0	0	0	0	110.9	N616 Q618 T623 I624	N616-V620 WeakPolarHBondContact O-CG2 3.36Å; N616-V620 PolarHBondContact O-N 2.85Å; Q618-V620 VanDerWaalsContact C-N 3.32Å; Q618-V620 PolarHBondContact O-N 3.33Å; V620-T623 PolarHBondContact O-N 3.42Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CD1 3.39Å; V620-I624 VanDerWaalsContact O-CG1 3.25Å; V620-I624 WeakPolarHBondContact O-CG1 3.19Å; V620-I624 PolarHBondContact O-N 3.45Å; V620-I624 VanDerWaalsContact O-N 3.13Å
621	I	49.4	Very low	45.1	Very low	57 Å²	57	94.4 Å²	94.4	29%	0.292	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-45	176.9	-69.2	168.6	0	0	0	111.1	K617 Q618 T623 I624 S625	K617-I621 WeakPolarHBondContact O-CD1 3.23Å; K617-I621 VanDerWaalsContact O-CG1 3.29Å; K617-I621 WeakPolarHBondContact O-CG1 3.43Å; K617-I621 PolarHBondContact O-N 2.98Å; Q618-I621 PolarHBondContact O-N 3.15Å; I621-T623 PolarHBondContact O-N 3.45Å; I621-I624 PolarHBondContact O-N 2.92Å; I621-S625 PolarHBondContact O-N 2.97Å
622	D	48.9	Very low	45	Very low	74 Å²	74	94.8 Å²	94.8	40%	0.396	48%	0.483	S	S	.	.	H	α-helix	trans	-65.1	-39.2	-179.5	-68.4	-16.8	0	0	0	111.9	Q618 S625 N626	Q618-D622 PolarHBondContact NE2-OD1 2.83Å; Q618-D622 WeakPolarHBondContact O-CB 3.08Å; Q618-D622 VanDerWaalsContact O-CG 3.24Å; Q618-D622 PolarHBondContact O-N 2.9Å; D622-S625 PolarHBondContact O-N 3.49Å; D622-N626 PolarHBondContact O-N 2.86Å; D622-N626 VanDerWaalsContact O-N 3.09Å; D622-N626 PolarHBondContact O-ND2 3.4Å
623	T	46.7	Very low	44.5	Very low	43 Å²	43	90.8 Å²	90.8	26%	0.264	47%	0.465	S	S	.	.	H	α-helix	trans	-69.6	-39.2	179.4	-49.3	0	0	0	0	112.2	A619 V620 I621 N626 L627 M676	A619-T623 PolarHBondContact O-N 3.23Å; A619-T623 VanDerWaalsContact O-N 3.15Å; A619-T623 PolarHBondContact O-OG1 3.01Å; V620-T623 PolarHBondContact O-N 3.42Å; I621-T623 PolarHBondContact O-N 3.45Å; T623-N626 PolarHBondContact O-N 3.3Å; T623-L627 HydrophobicContact CG2-CD1 4.36Å; T623-L627 PolarHBondContact O-N 2.89Å; T623-M676 HydrophobicContact CG2-CE 3.21Å
624	I	44.8	Very low	44.1	Very low	55 Å²	55	88.3 Å²	88.3	28%	0.282	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-44.6	175.4	-68.4	169.5	0	0	0	109.9	L598 I602 V620 I621 N626 L627 F628	L598-I624 HydrophobicContact CD2-CG2 4.19Å; I602-I624 HydrophobicContact CD1-CG2 4.38Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 WeakPolarHBondContact O-CD1 3.39Å; V620-I624 VanDerWaalsContact O-CG1 3.25Å; V620-I624 WeakPolarHBondContact O-CG1 3.19Å; V620-I624 PolarHBondContact O-N 3.45Å; V620-I624 VanDerWaalsContact O-N 3.13Å; I621-I624 PolarHBondContact O-N 2.92Å; I624-N626 PolarHBondContact O-N 3.48Å; I624-L627 PolarHBondContact O-N 3.11Å; I624-F628 HydrophobicContact CG2-CD2 3.93Å; I624-F628 HydrophobicContact CG2-CE2 3.63Å; I624-F628 WeakPolarHBondContact O-CD2 3.45Å; I624-F628 PolarHBondContact O-N 3.38Å
625	S	47.2	Very low	43.4	Very low	68 Å²	68	87.8 Å²	87.8	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-58.2	-41.7	175.7	-95.7	0	0	0	0	113.7	I621 D622 L627 F628 H629	I621-S625 PolarHBondContact O-N 2.97Å; D622-S625 PolarHBondContact O-N 3.49Å; S625-L627 PolarHBondContact O-N 3.16Å; S625-F628 PolarHBondContact O-N 3.02Å; S625-H629 PolarHBondContact O-N 3.06Å
626	N	46.4	Very low	42.8	Very low	108 Å²	108	83.9 Å²	83.9	58%	0.578	45%	0.445	S	S	*	.	H	α-helix	trans	-66.1	-37.1	179.7	-75	-30.8	0	0	0	112.9	D622 T623 I624 F628 H629 F630	D622-N626 PolarHBondContact O-N 2.86Å; D622-N626 VanDerWaalsContact O-N 3.09Å; D622-N626 PolarHBondContact O-ND2 3.4Å; T623-N626 PolarHBondContact O-N 3.3Å; I624-N626 PolarHBondContact O-N 3.48Å; N626-F628 VanDerWaalsContact C-N 3.33Å; N626-F628 PolarHBondContact O-N 3.36Å; N626-H629 PolarHBondContact O-N 3.39Å; N626-F630 PolarHBondContact O-N 3.46Å
627	L	43.2	Very low	41.8	Very low	49 Å²	49	83.1 Å²	83.1	26%	0.257	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-38.1	175.6	-83.1	156.7	0	0	0	112.6	L576 T623 I624 S625 F630 Q631	L576-L627 HydrophobicContact CD1-CD1 4.01Å; L576-L627 HydrophobicContact CD1-CD2 3.31Å; L576-L627 HydrophobicContact CD1-CG 4.25Å; T623-L627 HydrophobicContact CG2-CD1 4.36Å; T623-L627 PolarHBondContact O-N 2.89Å; I624-L627 PolarHBondContact O-N 3.11Å; S625-L627 PolarHBondContact O-N 3.16Å; L627-F630 PolarHBondContact O-N 3.15Å; L627-Q631 PolarHBondContact O-N 3.46Å
628	F	42.5	Very low	41.2	Very low	66 Å²	66	84.9 Å²	84.9	29%	0.289	47%	0.469	S	S	.	.	H	α-helix	trans	-74.1	-32.5	178.8	-80.4	-71.1	0	0	0	114.1	F593 L598 I624 S625 N626 F630 Q631 R632	F593-F628 AromaticContact CD1-CE1 3.95Å; F593-F628 HydrophobicContact CD1-CE1 3.95Å; F593-F628 AromaticContact CD1-CZ 3.61Å; F593-F628 HydrophobicContact CD1-CZ 3.61Å; F593-F628 HydrophobicContact CE1-CE1 4.23Å; F593-F628 HydrophobicContact CE1-CE2 4.45Å; F593-F628 AromaticContact CE1-CZ 3.52Å; F593-F628 HydrophobicContact CE1-CZ 3.52Å; L598-F628 HydrophobicContact CD2-CD2 3.9Å; L598-F628 HydrophobicContact CD2-CE1 4.46Å; L598-F628 HydrophobicContact CD2-CE2 3.12Å; L598-F628 HydrophobicContact CD2-CZ 3.42Å; L598-F628 VanDerWaalsContact CD2-CZ 3.42Å; I624-F628 HydrophobicContact CG2-CD2 3.93Å; I624-F628 HydrophobicContact CG2-CE2 3.63Å; I624-F628 WeakPolarHBondContact O-CD2 3.45Å; I624-F628 PolarHBondContact O-N 3.38Å; S625-F628 PolarHBondContact O-N 3.02Å; N626-F628 VanDerWaalsContact C-N 3.33Å; N626-F628 PolarHBondContact O-N 3.36Å; F628-F630 PolarHBondContact O-N 3.48Å; F628-Q631 PolarHBondContact O-N 2.59Å; F628-R632 PolarHBondContact O-N 3.22Å
629	H	42.8	Very low	40	Very low	141 Å²	141	86 Å²	86	65%	0.653	48%	0.483	S	S	*	.	H	α-helix	trans	-63	-34.6	175.5	-161.5	-55.4	0	0	0	111.3	S625 N626 T633	S625-H629 PolarHBondContact O-N 3.06Å; N626-H629 PolarHBondContact O-N 3.39Å; H629-T633 PolarHBondContact O-OG1 2.91Å; H629-T633 VanDerWaalsContact O-OG1 3.11Å
630	F	40.3	Very low	39.2	Very low	43 Å²	43	91.9 Å²	91.9	19%	0.189	50%	0.501	C	S	.	.	H	α-helix	trans	-70.6	-37.7	179.8	-159.6	-105.4	0	0	0	113	L569 N626 L627 F628 R632 T633 I634 V681	L569-F630 HydrophobicContact CB-CE1 4.36Å; L569-F630 HydrophobicContact CB-CZ 4.42Å; L569-F630 HydrophobicContact CD1-CZ 3.95Å; L569-F630 HydrophobicContact CD2-CE1 4.19Å; L569-F630 HydrophobicContact CD2-CZ 3.85Å; L569-F630 HydrophobicContact CG-CZ 4.3Å; N626-F630 PolarHBondContact O-N 3.46Å; L627-F630 PolarHBondContact O-N 3.15Å; F628-F630 PolarHBondContact O-N 3.48Å; F630-R632 VanDerWaalsContact C-N 3.32Å; F630-R632 PolarHBondContact O-N 3.28Å; F630-T633 PolarHBondContact O-N 3.45Å; F630-I634 HydrophobicContact CD1-CD1 3.8Å; F630-I634 HydrophobicContact CE1-CD1 3.61Å; F630-I634 HydrophobicContact CZ-CD1 4.45Å; F630-I634 PolarHBondContact O-N 3.47Å; F630-V681 HydrophobicContact CD2-CB 3.86Å; F630-V681 HydrophobicContact CD2-CG1 4.14Å; F630-V681 HydrophobicContact CE2-CB 3.74Å; F630-V681 HydrophobicContact CE2-CG1 4.13Å; F630-V681 HydrophobicContact CG-CG1 4.41Å; F630-V681 HydrophobicContact CZ-CB 4.37Å; F630-V681 HydrophobicContact CZ-CG1 4.37Å
631	Q	34.7	Very low	38.5	Very low	77 Å²	77	94.1 Å²	94.1	36%	0.36	51%	0.51	S	S	.	.	H	α-helix	trans	-66.2	-32.5	179.2	-144.9	177	18.2	0	0	112.4	E577 L627 F628 V635	E577-Q631 PolarHBondContact OE1-NE2 3.14Å; L627-Q631 PolarHBondContact O-N 3.46Å; F628-Q631 PolarHBondContact O-N 2.59Å; Q631-V635 WeakPolarHBondContact O-CG2 3.45Å
632	R	34.2	Very low	37.4	Very low	173 Å²	173	98.1 Å²	98.1	65%	0.653	53%	0.533	S	S	*	.	H	α-helix	trans	-66.8	-35.8	173.3	-82.4	-177.7	174.8	173.7	-1.2	112.7	F628 F630 S636	F628-R632 PolarHBondContact O-N 3.22Å; F630-R632 VanDerWaalsContact C-N 3.32Å; F630-R632 PolarHBondContact O-N 3.28Å; R632-S636 PolarHBondContact O-OG 3.46Å
633	T	35.8	Very low	36.4	Very low	89 Å²	89	102.6 Å²	102.6	55%	0.546	56%	0.556	S	S	.	*	H	α-helix	trans	-71.8	-31.9	-176.7	-42.2	0	0	0	0	112.4	H629 F630	H629-T633 PolarHBondContact O-OG1 2.91Å; H629-T633 VanDerWaalsContact O-OG1 3.11Å; F630-T633 PolarHBondContact O-N 3.45Å
634	I	36	Very low	35.6	Very low	66 Å²	66	105.4 Å²	105.4	34%	0.338	58%	0.584	S	S	.	*	H	α-helix	trans	-76.5	-36.7	-179.4	-64	173.2	0	0	0	112.3	F630 S636	F630-I634 HydrophobicContact CD1-CD1 3.8Å; F630-I634 HydrophobicContact CE1-CD1 3.61Å; F630-I634 HydrophobicContact CZ-CD1 4.45Å; F630-I634 PolarHBondContact O-N 3.47Å; I634-S636 VanDerWaalsContact C-N 3.32Å; I634-S636 PolarHBondContact O-N 2.88Å
635	V	34.4	Very low	34.8	Very low	120 Å²	120	110.1 Å²	110.1	73%	0.727	61%	0.61	S	S	*	*	H	α-helix	trans	-80.9	-11.9	-175.5	-178.2	0	0	0	0	112.8	Q631 S637	Q631-V635 WeakPolarHBondContact O-CG2 3.45Å; V635-S637 VanDerWaalsContact C-N 3.34Å; V635-S637 PolarHBondContact O-N 3.33Å
636	S	32.4	Very low	33.8	Very low	100 Å²	100	113.7 Å²	113.7	70%	0.699	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	7.2	-176.5	-53.9	0	0	0	0	114.9	R632 I634	R632-S636 PolarHBondContact O-OG 3.46Å; I634-S636 VanDerWaalsContact C-N 3.32Å; I634-S636 PolarHBondContact O-N 2.88Å
637	S	29.6	Very low	33	Very low	79 Å²	79	117.3 Å²	117.3	55%	0.552	64%	0.637	S	S	*	*	S	Bend	trans	-84	138.3	176.7	-60.8	0	0	0	0	110.5	V635 T639	V635-S637 VanDerWaalsContact C-N 3.34Å; V635-S637 PolarHBondContact O-N 3.33Å; S637-T639 PolarHBondContact O-N 3.34Å
638	P	30.4	Very low	32.4	Very low	134 Å²	134	120.7 Å²	120.7	87%	0.87	66%	0.664	S	S	*	*			trans	-68.8	108.5	-171.7	10.3	-2.5	0	0	0	110.9	H640	P638-H640 PolarHBondContact O-N 3.47Å
639	T	26.7	Very low	31.5	Very low	129 Å²	129	127.6 Å²	127.6	79%	0.791	69%	0.688	S	S	*	*			trans	-79.9	101.7	162.6	52.3	0	0	0	0	108.5	S637	S637-T639 PolarHBondContact O-N 3.34Å
640	H	30.5	Very low	31.2	Very low	176 Å²	176	125.9 Å²	125.9	82%	0.815	69%	0.687	S	S	*	*			trans	-148.3	135.9	160.6	-107.3	-72.8	0	0	0	113.8	P638	P638-H640 PolarHBondContact O-N 3.47Å
641	N	30.8	Very low	30.6	Very low	129 Å²	129	135 Å²	135	69%	0.69	72%	0.72	S	S	*	*			trans	78.5	97	164.9	-65.5	-4.1	0	0	0	119.8	N643	N641-N643 PolarHBondContact O-N 3.16Å
642	N	27.9	Very low	30.6	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	72%	0.723	S	S	*	*			trans	-60	103.5	159.7	-68.6	-46.9	0	0	0	110.4
643	N	27.4	Very low	30.8	Very low	168 Å²	168	132.9 Å²	132.9	90%	0.898	72%	0.72	S	S	*	*			trans	178.2	79.3	147.3	-91.5	-19.1	0	0	0	110.1	N641	N641-N643 PolarHBondContact O-N 3.16Å
644	A	30.4	Very low	30.9	Very low	101 Å²	101	136.2 Å²	136.2	84%	0.835	74%	0.735	S	S	*	*			trans	-157.4	106	160	0	0	0	0	0	109.3
645	N	26.5	Very low	31.3	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	74%	0.743	S	S	*	*			trans	-69.6	143.6	170.6	-80.6	-37.1	0	0	0	110.1
646	N	27.3	Very low	32.2	Very low	142 Å²	142	135 Å²	135	76%	0.759	73%	0.731	S	S	*	*			trans	76.4	55.5	159.5	-59.9	-17.5	0	0	0	119.4
647	H	28.8	Very low	33.2	Very low	185 Å²	185	131.5 Å²	131.5	86%	0.856	71%	0.705	S	S	*	*	S	Bend	trans	-144.1	118.7	144.9	-80.9	-68.2	0	0	0	111	R649	H647-R649 PolarHBondContact O-N 3.47Å; H647-R649 VanDerWaalsContact O-N 3.08Å
648	S	31.1	Very low	34.3	Very low	119 Å²	119	131.1 Å²	131.1	83%	0.832	70%	0.699	S	S	*	*			trans	13.3	74.4	168.4	59.3	0	0	0	0	118.3	V650	S648-V650 PolarHBondContact O-N 3.1Å
649	R	24.7	Very low	35.6	Very low	212 Å²	212	126.7 Å²	126.7	80%	0.8	67%	0.672	S	S	*	*			trans	-69.6	116.1	162.4	-129	178.4	-176.1	173.8	2.2	108.1	H647 R651	H647-R649 PolarHBondContact O-N 3.47Å; H647-R649 VanDerWaalsContact O-N 3.08Å; R649-R651 VanDerWaalsContact C-N 3.31Å; R649-R651 PolarHBondContact O-N 2.96Å
650	V	34.9	Very low	37.2	Very low	104 Å²	104	121.7 Å²	121.7	63%	0.63	64%	0.64	S	S	*	*			trans	-60.7	97.6	165.7	177.8	0	0	0	0	106.7	S648 T652	S648-V650 PolarHBondContact O-N 3.1Å; V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 HydrophobicContact CG1-CG2 4.48Å; V650-T652 PolarHBondContact O-N 3.23Å
651	R	27.6	Very low	38.5	Very low	235 Å²	235	114.4 Å²	114.4	89%	0.887	61%	0.606	S	S	*	*			trans	-74.4	87.9	175.7	-74.5	-174.6	179.9	-173.2	0.1	107.9	R649 K653	R649-R651 VanDerWaalsContact C-N 3.31Å; R649-R651 PolarHBondContact O-N 2.96Å; R651-K653 PolarHBondContact O-N 3.32Å
652	T	36.3	Very low	40.1	Very low	67 Å²	67	117 Å²	117	41%	0.411	61%	0.611	S	S	.	*			trans	-64.2	115	159.5	49.6	0	0	0	0	107.2	V650 D654	V650-T652 VanDerWaalsContact C-N 3.32Å; V650-T652 HydrophobicContact CG1-CG2 4.48Å; V650-T652 PolarHBondContact O-N 3.23Å; T652-D654 PolarHBondContact O-N 3.5Å
653	K	38	Very low	41.9	Very low	138 Å²	138	118 Å²	118	60%	0.6	61%	0.611	S	S	*	*			trans	-54.5	130.2	169.4	-80	-178.9	176.4	175.8	0	108.4	R574 R651 N655	R574-K653 PolarHBondContact NH2-O 3.4Å; R651-K653 PolarHBondContact O-N 3.32Å; K653-N655 PolarHBondContact O-N 3.09Å
654	D	37.8	Very low	44	Very low	160 Å²	160	111 Å²	111	86%	0.856	57%	0.574	S	S	*	*			trans	-69.6	53.3	167.9	-73.5	-40.1	0	0	0	110.8	T652	T652-D654 PolarHBondContact O-N 3.5Å
655	N	44.5	Very low	46.2	Very low	93 Å²	93	109.6 Å²	109.6	50%	0.497	56%	0.558	S	S	.	*			trans	-82.2	123.1	166.9	-76	0.8	0	0	0	107.4	K653 V657	K653-N655 PolarHBondContact O-N 3.09Å; N655-V657 PolarHBondContact O-N 3.39Å
656	S	52.6	Low	48.6	Very low	68 Å²	68	109.1 Å²	109.1	48%	0.476	55%	0.55	S	S	.	*			trans	-62.5	135	178.5	71.4	0	0	0	0	110	T658 S659	S656-T658 VanDerWaalsContact CB-OG1 3.23Å; S656-T658 WeakPolarHBondContact CB-OG1 3.41Å; S656-T658 PolarHBondContact O-N 3.03Å; S656-T658 PolarHBondContact OG-OG1 2.84Å; S656-S659 PolarHBondContact O-N 3.41Å; S656-S659 PolarHBondContact O-OG 2.85Å
657	V	53.4	Low	50.8	Low	26 Å²	26	103.2 Å²	103.2	16%	0.158	52%	0.52	C	S	.	.	H	α-helix	trans	-47	-26.5	174	-178.6	0	0	0	0	112.9	E577 A578 N655 S659 D660 Q661	E577-V657 HydrophobicContact CB-CG1 4.32Å; A578-V657 HydrophobicContact CB-CG1 4.22Å; N655-V657 PolarHBondContact O-N 3.39Å; V657-S659 PolarHBondContact O-N 3.25Å; V657-D660 PolarHBondContact O-N 2.88Å; V657-Q661 PolarHBondContact O-N 2.94Å
658	T	52	Low	53.2	Low	71 Å²	71	97.2 Å²	97.2	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-25.8	173.4	17	0	0	0	0	116.1	S656	S656-T658 VanDerWaalsContact CB-OG1 3.23Å; S656-T658 WeakPolarHBondContact CB-OG1 3.41Å; S656-T658 PolarHBondContact O-N 3.03Å; S656-T658 PolarHBondContact OG-OG1 2.84Å
659	S	59.1	Low	55.3	Low	41 Å²	41	96.2 Å²	96.2	29%	0.287	48%	0.481	S	S	.	.	H	α-helix	trans	-76.6	-38.2	174.2	54.4	0	0	0	0	111.5	S656 V657 Q661 K662 H663	S656-S659 PolarHBondContact O-N 3.41Å; S656-S659 PolarHBondContact O-OG 2.85Å; V657-S659 PolarHBondContact O-N 3.25Å; S659-Q661 VanDerWaalsContact C-N 3.35Å; S659-Q661 PolarHBondContact O-N 2.73Å; S659-K662 PolarHBondContact O-N 3.29Å; S659-H663 PolarHBondContact O-CD2 3.38Å
660	D	59	Low	57.6	Low	24 Å²	24	92.2 Å²	92.2	13%	0.128	47%	0.471	C	S	.	.	H	α-helix	trans	-75.3	-31.2	-170.5	-55	-20.5	0	0	0	111.2	V657 K662 H663 W732	V657-D660 PolarHBondContact O-N 2.88Å; D660-K662 PolarHBondContact O-N 3.12Å; D660-H663 PolarHBondContact O-N 3.41Å; D660-H663 VanDerWaalsContact O-N 3.14Å; D660-W732 HydrophobicContact CB-CD2 4.41Å; D660-W732 HydrophobicContact CB-CH2 3.81Å; D660-W732 HydrophobicContact CB-CZ2 3.44Å; D660-W732 VanDerWaalsContact CB-CZ2 3.44Å; D660-W732 HydrophobicContact CB-CZ3 4.38Å
661	Q	59.4	Low	59.4	Low	22 Å²	22	87.9 Å²	87.9	10%	0.103	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35	172.8	-172.8	-178.3	-7.4	0	0	113.5	E585 V657 S659 H663 L664	E585-Q661 PolarHBondContact OE1-NE2 3.03Å; E585-Q661 PolarHBondContact OE2-NE2 3.24Å; V657-Q661 PolarHBondContact O-N 2.94Å; S659-Q661 VanDerWaalsContact C-N 3.35Å; S659-Q661 PolarHBondContact O-N 2.73Å; Q661-H663 PolarHBondContact O-N 3.14Å; Q661-L664 PolarHBondContact O-N 3.48Å
662	K	63.7	Low	61.8	Low	183 Å²	183	78.3 Å²	78.3	80%	0.796	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.9	-178	-67.5	-175.6	179.3	-179.3	0	113.7	S659 D660	S659-K662 PolarHBondContact O-N 3.29Å; D660-K662 PolarHBondContact O-N 3.12Å
663	H	66.3	Low	63.7	Low	163 Å²	163	81 Å²	81	76%	0.755	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-98.4	-3.8	-178.3	-67.2	-69	0	0	0	113.2	S659 D660 Q661	S659-H663 PolarHBondContact O-CD2 3.38Å; D660-H663 PolarHBondContact O-N 3.41Å; D660-H663 VanDerWaalsContact O-N 3.14Å; Q661-H663 PolarHBondContact O-N 3.14Å
664	L	70.3	Confident	65.4	Low	23 Å²	23	75.1 Å²	75.1	12%	0.12	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-93.2	131.3	-178.1	-64.8	173.3	0	0	0	111.4	L575 A578 Q582 Q661 W732	L575-L664 HydrophobicContact CD1-CD2 4.33Å; A578-L664 HydrophobicContact CB-CD1 3.73Å; Q582-L664 PolarHBondContact NE2-O 3.41Å; Q661-L664 PolarHBondContact O-N 3.48Å; L664-W732 HydrophobicContact CD1-CZ2 4.31Å
665	S	77.1	Confident	67.3	Low	71 Å²	71	67.9 Å²	67.9	50%	0.497	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.9	158.1	168.4	60.6	0	0	0	0	111.1	R579 Q582	R579-S665 PolarHBondContact NH1-O 2.87Å; Q582-S665 PolarHBondContact NE2-O 2.83Å
666	Q	75.7	Confident	68.9	Low	144 Å²	144	67.1 Å²	67.1	67%	0.673	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-58.1	127.8	170.7	-173	173.3	-2.8	0	0	109.4	L586	L586-Q666 HydrophobicContact CD1-CG 4.15Å
667	P	75.1	Confident	70	Confident	19 Å²	19	67.2 Å²	67.2	12%	0.123	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-80.9	144	-172.5	30.5	-32.2	0	0	0	111.6	L672	P667-L672 HydrophobicContact CB-CD1 4.34Å; P667-L672 HydrophobicContact CB-CD2 3.86Å; P667-L672 HydrophobicContact CB-CG 3.89Å; P667-L672 HydrophobicContact CG-CD1 4.34Å; P667-L672 HydrophobicContact CG-CD2 4.15Å; P667-L672 HydrophobicContact CG-CG 4.35Å
668	T	78.9	Confident	71.2	Confident	59 Å²	59	66.3 Å²	66.3	36%	0.362	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-84.5	162.7	163.2	65.9	0	0	0	0	110.6	E670 Q671 L672	T668-E670 PolarHBondContact O-N 2.85Å; T668-Q671 PolarHBondContact O-N 2.8Å; T668-Q671 VanDerWaalsContact OG1-CB 3.29Å; T668-Q671 WeakPolarHBondContact OG1-CB 3.46Å; T668-Q671 PolarHBondContact OG1-N 3.45Å; T668-L672 PolarHBondContact O-N 3.47Å
669	I	75.3	Confident	72.6	Confident	98 Å²	98	63.3 Å²	63.3	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-39.9	175.5	-67.7	174.7	0	0	0	109.9	Q671 L672 K673	I669-Q671 VanDerWaalsContact C-N 3.34Å; I669-L672 PolarHBondContact O-N 3.47Å; I669-K673 HydrophobicContact CG2-CD 4.25Å; I669-K673 WeakPolarHBondContact O-CG 3.23Å; I669-K673 PolarHBondContact O-N 3.2Å
670	E	72	Confident	73.6	Confident	127 Å²	127	63.5 Å²	63.5	59%	0.593	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177.7	-63.5	67.6	-145.9	0	0	111.1	T668 K673 C674	T668-E670 PolarHBondContact O-N 2.85Å; E670-K673 PolarHBondContact O-N 2.92Å; E670-C674 WeakPolarHBondContact O-CB 3.46Å; E670-C674 PolarHBondContact O-N 3.33Å
671	Q	73.9	Confident	74.4	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.065	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-45	176.1	-179.1	168.5	21.5	0	0	111.6	T668 I669 K673 C674 E675 Y755	T668-Q671 PolarHBondContact O-N 2.8Å; T668-Q671 VanDerWaalsContact OG1-CB 3.29Å; T668-Q671 WeakPolarHBondContact OG1-CB 3.46Å; T668-Q671 PolarHBondContact OG1-N 3.45Å; I669-Q671 VanDerWaalsContact C-N 3.34Å; Q671-K673 PolarHBondContact O-N 3.34Å; Q671-C674 PolarHBondContact O-N 3.34Å; Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 WeakPolarHBondContact CG-OE1 3.27Å; Q671-E675 PolarHBondContact NE2-OE1 3.27Å; Q671-E675 VanDerWaalsContact NE2-OE1 3.15Å; Q671-E675 WeakPolarHBondContact O-CB 3.32Å; Q671-E675 WeakPolarHBondContact O-CG 3.36Å; Q671-E675 PolarHBondContact O-N 3.04Å; Q671-Y755 HydrophobicContact CB-CE2 4.5Å; Q671-Y755 PolarHBondContact OE1-OH 3.44Å; Q671-Y755 VanDerWaalsContact OE1-OH 3.08Å
672	L	77.4	Confident	75.1	Confident	34 Å²	34	70 Å²	70	18%	0.178	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-42.1	176.9	-67.4	170.8	0	0	0	111.6	R579 L583 P667 T668 I669 E675 M676	R579-L672 HydrophobicContact CB-CD2 4.31Å; R579-L672 HydrophobicContact CG-CD2 4.23Å; L583-L672 HydrophobicContact CD1-CD1 4.22Å; L583-L672 HydrophobicContact CD2-CD1 4.25Å; P667-L672 HydrophobicContact CB-CD1 4.34Å; P667-L672 HydrophobicContact CB-CD2 3.86Å; P667-L672 HydrophobicContact CB-CG 3.89Å; P667-L672 HydrophobicContact CG-CD1 4.34Å; P667-L672 HydrophobicContact CG-CD2 4.15Å; P667-L672 HydrophobicContact CG-CG 4.35Å; T668-L672 PolarHBondContact O-N 3.47Å; I669-L672 PolarHBondContact O-N 3.47Å; L672-E675 PolarHBondContact O-N 3.18Å; L672-M676 HydrophobicContact CB-SD 4.48Å; L672-M676 WeakPolarHBondContact O-CB 3.41Å; L672-M676 WeakPolarHBondContact O-CG 3.47Å; L672-M676 PolarHBondContact O-N 3.46Å; L672-M676 VanDerWaalsContact O-SD 3.41Å
673	K	75.7	Confident	75.8	Confident	123 Å²	123	63.7 Å²	63.7	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.6	-74	179.2	177.8	-177.4	0	112.1	I669 E670 Q671 S677	I669-K673 HydrophobicContact CG2-CD 4.25Å; I669-K673 WeakPolarHBondContact O-CG 3.23Å; I669-K673 PolarHBondContact O-N 3.2Å; E670-K673 PolarHBondContact O-N 2.92Å; Q671-K673 PolarHBondContact O-N 3.34Å; K673-S677 WeakPolarHBondContact O-CB 3.38Å; K673-S677 PolarHBondContact O-N 3.2Å; K673-S677 PolarHBondContact O-OG 3.07Å
674	C	74.1	Confident	76.1	Confident	15 Å²	15	58.5 Å²	58.5	10%	0.101	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-50.2	175.4	167.4	0	0	0	0	109.8	E670 Q671 M676 S677 I678 C753	E670-C674 WeakPolarHBondContact O-CB 3.46Å; E670-C674 PolarHBondContact O-N 3.33Å; Q671-C674 PolarHBondContact O-N 3.34Å; C674-M676 PolarHBondContact O-N 3.03Å; C674-S677 PolarHBondContact O-N 3.15Å; C674-S677 PolarHBondContact O-OG 3.33Å; C674-I678 WeakPolarHBondContact O-CB 3.37Å; C674-I678 PolarHBondContact O-N 3.16Å; C674-C753 HydrophobicContact CB-CB 4.42Å; C674-C753 WeakPolarHBondContact CB-SG 3.25Å; C674-C753 WeakPolarHBondContact SG-CB 3.49Å; C674-C753 CovalentContact SG-SG 2.07Å; C674-C753 PolarHBondContact SG-SG 3.43Å
675	E	77.8	Confident	75.9	Confident	7 Å²	7	65 Å²	65	3%	0.033	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-46	179.8	-73.2	172.3	-175.3	0	0	111.8	H572 L575 R579 Q671 L672 S677 I678	H572-E675 PolarHBondContact CE1-O 3.44Å; L575-E675 HydrophobicContact CD2-CG 4.33Å; R579-E675 WeakPolarHBondContact CG-OE2 3.3Å; R579-E675 IonicContact CZ-OE1 3.14Å; R579-E675 IonicContact CZ-OE2 2.81Å; R579-E675 IonicContact NE-OE1 3.75Å; R579-E675 PolarHBondContact NE-OE1 2.95Å; R579-E675 IonicContact NE-OE2 3.61Å; R579-E675 PolarHBondContact NE-OE2 2.91Å; R579-E675 IonicContact NH2-OE1 3.42Å; R579-E675 PolarHBondContact NH2-OE1 3.45Å; R579-E675 IonicContact NH2-OE2 2.73Å; Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 WeakPolarHBondContact CG-OE1 3.27Å; Q671-E675 PolarHBondContact NE2-OE1 3.27Å; Q671-E675 VanDerWaalsContact NE2-OE1 3.15Å; Q671-E675 WeakPolarHBondContact O-CB 3.32Å; Q671-E675 WeakPolarHBondContact O-CG 3.36Å; Q671-E675 PolarHBondContact O-N 3.04Å; L672-E675 PolarHBondContact O-N 3.18Å; E675-S677 VanDerWaalsContact C-N 3.26Å; E675-S677 PolarHBondContact O-N 3.23Å; E675-I678 VanDerWaalsContact O-CG2 3.27Å; E675-I678 WeakPolarHBondContact O-CG2 3.5Å; E675-I678 PolarHBondContact O-N 3.01Å
676	M	78.3	Confident	75.2	Confident	77 Å²	77	63.2 Å²	63.2	38%	0.379	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-23.5	179.3	-70.8	160.4	65.7	0	0	114.4	L576 T623 L672 C674	L576-M676 HydrophobicContact CD2-CG 4.28Å; T623-M676 HydrophobicContact CG2-CE 3.21Å; L672-M676 HydrophobicContact CB-SD 4.48Å; L672-M676 WeakPolarHBondContact O-CB 3.41Å; L672-M676 WeakPolarHBondContact O-CG 3.47Å; L672-M676 PolarHBondContact O-N 3.46Å; L672-M676 VanDerWaalsContact O-SD 3.41Å; C674-M676 PolarHBondContact O-N 3.03Å
677	S	76.1	Confident	74.2	Confident	71 Å²	71	62.8 Å²	62.8	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-103.3	-2.6	-175.7	57.2	0	0	0	0	114.1	K673 C674 E675	K673-S677 WeakPolarHBondContact O-CB 3.38Å; K673-S677 PolarHBondContact O-N 3.2Å; K673-S677 PolarHBondContact O-OG 3.07Å; C674-S677 PolarHBondContact O-N 3.15Å; C674-S677 PolarHBondContact O-OG 3.33Å; E675-S677 VanDerWaalsContact C-N 3.26Å; E675-S677 PolarHBondContact O-N 3.23Å
678	I	78	Confident	73.3	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.031	35%	0.35	C	S	.	.	S	Bend	trans	-80.7	-33.1	-167.5	-155.6	149.8	0	0	0	114.5	C674 E675 S711 I728 L749	C674-I678 WeakPolarHBondContact O-CB 3.37Å; C674-I678 PolarHBondContact O-N 3.16Å; E675-I678 VanDerWaalsContact O-CG2 3.27Å; E675-I678 WeakPolarHBondContact O-CG2 3.5Å; E675-I678 PolarHBondContact O-N 3.01Å; I678-S711 WeakPolarHBondContact O-CA 3.34Å; I678-I728 HydrophobicContact CD1-CB 4.17Å; I678-I728 HydrophobicContact CD1-CD1 3.55Å; I678-I728 HydrophobicContact CD1-CG1 3.67Å; I678-I728 HydrophobicContact CD1-CG2 3.47Å; I678-I728 VanDerWaalsContact CD1-CG2 3.47Å; I678-I728 HydrophobicContact CG1-CD1 3.6Å; I678-I728 HydrophobicContact CG1-CG1 4.29Å; I678-I728 HydrophobicContact CG1-CG2 4.41Å; I678-L749 HydrophobicContact CD1-CD2 3.95Å; I678-L749 HydrophobicContact CG1-CD2 3.83Å
679	I	80.6	Confident	72	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.046	36%	0.364	C	S	.	.	S	Bend	trans	-115.4	124.2	178	-55.7	-56.1	0	0	0	109.9	T568 L569 H572 H710 V739	T568-I679 HydrophobicContact CG2-CD1 3.66Å; T568-I679 HydrophobicContact CG2-CG1 4.19Å; L569-I679 HydrophobicContact CD2-CG2 3.69Å; L569-I679 HydrophobicContact CG-CG2 4.26Å; H572-I679 HydrophobicContact CB-CB 4.27Å; H572-I679 HydrophobicContact CB-CG1 3.91Å; I679-H710 CarbonylContact C-O 3.52Å; I679-H710 WeakPolarHBondContact CA-O 3.42Å; I679-H710 HydrophobicContact CD1-CB 4.06Å; I679-V739 HydrophobicContact CD1-CG1 4.35Å
680	N	81.9	Confident	71.5	Confident	44 Å²	44	68.6 Å²	68.6	24%	0.235	36%	0.362	C	S	.	.			trans	-76.2	129.4	172.4	-148.4	-67.2	0	0	0	110.7	N682 W683 H710 S711 C712	N680-N682 WeakPolarHBondContact OD1-CA 3.41Å; N680-N682 WeakPolarHBondContact OD1-CB 3.25Å; N680-N682 PolarHBondContact OD1-N 3.36Å; N680-N682 PolarHBondContact OD1-O 3.46Å; N680-N682 VanDerWaalsContact OD1-O 3.09Å; N680-W683 VanDerWaalsContact O-CD1 3.28Å; N680-W683 PolarHBondContact O-NE1 3.37Å; N680-H710 PolarHBondContact N-O 2.88Å; N680-S711 VanDerWaalsContact CB-O 3.3Å; N680-S711 WeakPolarHBondContact CB-O 3.37Å; N680-S711 PolarHBondContact ND2-O 3.35Å; N680-S711 VanDerWaalsContact ND2-O 3.12Å; N680-C712 PolarHBondContact ND2-O 3.49Å
681	V	75.2	Confident	71.6	Confident	58 Å²	58	63.8 Å²	63.8	35%	0.352	34%	0.342	S	S	.	.	S	Bend	trans	-84	-15.1	172.4	-67.1	0	0	0	0	113.2	L569 F630	L569-V681 HydrophobicContact CD2-CG1 4.07Å; F630-V681 HydrophobicContact CD2-CB 3.86Å; F630-V681 HydrophobicContact CD2-CG1 4.14Å; F630-V681 HydrophobicContact CE2-CB 3.74Å; F630-V681 HydrophobicContact CE2-CG1 4.13Å; F630-V681 HydrophobicContact CG-CG1 4.41Å; F630-V681 HydrophobicContact CZ-CB 4.37Å; F630-V681 HydrophobicContact CZ-CG1 4.37Å
682	N	74.7	Confident	71.9	Confident	126 Å²	126	67.4 Å²	67.4	67%	0.674	36%	0.361	S	S	*	.			trans	-113.9	87.4	-174.5	-70.5	-25.1	0	0	0	111.2	N680	N680-N682 WeakPolarHBondContact OD1-CA 3.41Å; N680-N682 WeakPolarHBondContact OD1-CB 3.25Å; N680-N682 PolarHBondContact OD1-N 3.36Å; N680-N682 PolarHBondContact OD1-O 3.46Å; N680-N682 VanDerWaalsContact OD1-O 3.09Å
683	W	76.7	Confident	72.2	Confident	50 Å²	50	65.8 Å²	65.8	19%	0.189	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-83.3	142.2	177.7	-69.9	22.1	0	0	0	111.4	N680 H708 H710	N680-W683 VanDerWaalsContact O-CD1 3.28Å; N680-W683 PolarHBondContact O-NE1 3.37Å; W683-H708 HydrophobicContact CD2-CB 3.8Å; W683-H708 AromaticContact CD2-CG 3.89Å; W683-H708 HydrophobicContact CE3-CB 3.42Å; W683-H708 VanDerWaalsContact CE3-CB 3.42Å; W683-H708 AromaticContact CE3-CD2 3.99Å; W683-H708 AromaticContact CE3-CG 3.32Å; W683-H708 AromaticContact CE3-ND1 3.55Å; W683-H708 HydrophobicContact CH2-CB 3.83Å; W683-H708 HydrophobicContact CZ2-CB 4.25Å; W683-H708 HydrophobicContact CZ3-CB 3.44Å; W683-H708 VanDerWaalsContact CZ3-CB 3.44Å; W683-H708 AromaticContact CZ3-CG 3.72Å; W683-H708 AromaticContact CZ3-ND1 3.8Å; W683-H710 AromaticContact CH2-CD2 3.95Å; W683-H710 AromaticContact CH2-CE1 3.71Å; W683-H710 AromaticContact CH2-NE2 3.6Å; W683-H710 AromaticContact CZ2-CD2 3.57Å; W683-H710 AromaticContact CZ2-CG 3.87Å; W683-H710 AromaticContact CZ2-NE2 3.74Å
684	T	73.9	Confident	72.8	Confident	54 Å²	54	61.8 Å²	61.8	33%	0.331	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-64.7	146.9	175.5	45.8	0	0	0	0	111.9	C686 H708 G713 L714	T684-C686 PolarHBondContact O-N 3.18Å; T684-H708 PolarHBondContact O-NE2 3.26Å; T684-G713 PolarHBondContact N-O 2.61Å; T684-G713 PolarHBondContact OG1-O 3.26Å; T684-L714 HydrophobicContact CG2-CD2 3.51Å
685	H	65.7	Low	73.5	Confident	160 Å²	160	63.9 Å²	63.9	74%	0.741	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-70.7	125.6	177.6	-88.4	-76.6	0	0	0	111.8	F687	H685-F687 PolarHBondContact O-N 3.39Å; H685-F687 VanDerWaalsContact O-N 3.14Å
686	C	61.6	Low	73.9	Confident	32 Å²	32	66.1 Å²	66.1	22%	0.216	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.7	-178.5	-45	0	0	0	0	114.8	T684 K688 H708	T684-C686 PolarHBondContact O-N 3.18Å; C686-K688 PolarHBondContact O-N 3.48Å; C686-H708 PolarHBondContact SG-CE1 2.99Å
687	F	54.7	Low	74.1	Confident	136 Å²	136	68 Å²	68	60%	0.596	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	14	-160.8	-66.4	-76.1	0	0	0	116.1	R535 H685 S689	R535-F687 PolarHBondContact NH2-O 3.13Å; H685-F687 PolarHBondContact O-N 3.39Å; H685-F687 VanDerWaalsContact O-N 3.14Å; F687-S689 PolarHBondContact O-N 3.46Å
688	K	56.8	Low	74.1	Confident	161 Å²	161	66.5 Å²	66.5	70%	0.7	37%	0.369	S	S	*	.			trans	-82.9	111.6	174.6	-84.1	-174.9	175.9	178.7	0	111.4	C686 G690 S691	C686-K688 PolarHBondContact O-N 3.48Å; K688-G690 PolarHBondContact O-N 3.17Å; K688-G690 VanDerWaalsContact O-N 3.15Å; K688-S691 PolarHBondContact O-N 3.38Å; K688-S691 VanDerWaalsContact O-N 3.08Å; K688-S691 PolarHBondContact O-OG 3.15Å
689	S	52.6	Low	73.8	Confident	93 Å²	93	67.7 Å²	67.7	65%	0.65	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	115.5	162.2	36.8	0	0	0	0	108.8	F687	F687-S689 PolarHBondContact O-N 3.46Å
690	G	64.3	Low	73.4	Confident	44 Å²	44	67.7 Å²	67.7	45%	0.454	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	0.8	-172	0	0	0	0	0	115.4	K688 L692	K688-G690 PolarHBondContact O-N 3.17Å; K688-G690 VanDerWaalsContact O-N 3.15Å; G690-L692 PolarHBondContact O-N 2.98Å
691	S	72.8	Confident	72.6	Confident	26 Å²	26	67.7 Å²	67.7	18%	0.182	38%	0.381	C	S	.	.			trans	-56.7	129.2	177.2	-64.6	0	0	0	0	111.8	K688 L700	K688-S691 PolarHBondContact O-N 3.38Å; K688-S691 VanDerWaalsContact O-N 3.08Å; K688-S691 PolarHBondContact O-OG 3.15Å; S691-L700 WeakPolarHBondContact O-CB 3.34Å; S691-L700 WeakPolarHBondContact O-CG 3.49Å; S691-L700 PolarHBondContact O-N 3.15Å
692	L	81.1	Confident	71.8	Confident	90 Å²	90	70.2 Å²	70.2	47%	0.471	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-104.5	148.3	-179.8	-56.3	173.3	0	0	0	109.6	G690 C694 N697 S698 L699	G690-L692 PolarHBondContact O-N 2.98Å; L692-C694 PolarHBondContact O-N 3.38Å; L692-N697 WeakPolarHBondContact CD2-O 3.48Å; L692-S698 CarbonylContact C-O 3.55Å; L692-S698 WeakPolarHBondContact CA-O 3.27Å; L692-L699 HydrophobicContact CD2-CD1 4.31Å
693	C	84.2	Confident	71.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.363	C	S	.	.			trans	-63.3	129.5	169.3	174.5	0	0	0	0	110	V695 C696 N697 S698 L700 C717	C693-V695 PolarHBondContact O-N 2.77Å; C693-V695 PolarHBondContact SG-N 3.07Å; C693-V695 VanDerWaalsContact SG-N 3.45Å; C693-C696 VanDerWaalsContact CB-SG 3.55Å; C693-N697 VanDerWaalsContact O-CA 3.26Å; C693-N697 WeakPolarHBondContact O-CA 3.38Å; C693-N697 PolarHBondContact O-N 2.86Å; C693-N697 PolarHBondContact O-OD1 2.89Å; C693-S698 PolarHBondContact N-O 3.26Å; C693-L700 HydrophobicContact CB-CD2 3.83Å; C693-C717 HydrophobicContact CB-CB 4.02Å; C693-C717 PolarHBondContact SG-N 2.85Å
694	C	88.1	Confident	70.6	Confident	39 Å²	39	67.9 Å²	67.9	26%	0.264	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.1	179.5	69.5	0	0	0	0	115.4	L692 L714 L715	L692-C694 PolarHBondContact O-N 3.38Å; C694-L714 HydrophobicContact CB-CB 3.57Å; C694-L714 HydrophobicContact CB-CD1 3.65Å; C694-L714 HydrophobicContact CB-CG 4.27Å; C694-L715 PolarHBondContact N-O 3.36Å
695	V	87.7	Confident	70.5	Confident	58 Å²	58	69.6 Å²	69.6	35%	0.352	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-55.9	-179.1	-178.1	0	0	0	0	111.1	C693 C720 C742	C693-V695 PolarHBondContact O-N 2.77Å; C693-V695 PolarHBondContact SG-N 3.07Å; C693-V695 VanDerWaalsContact SG-N 3.45Å; V695-C720 HydrophobicContact CB-CB 3.68Å; V695-C720 HydrophobicContact CG1-CB 4.07Å; V695-C720 HydrophobicContact CG2-CB 3.88Å; V695-C742 HydrophobicContact CG2-CB 3.65Å
696	C	87.3	Confident	71	Confident	55 Å²	55	62.5 Å²	62.5	37%	0.372	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.3	-172.8	67.6	0	0	0	0	114.3	C693 S698 C717	C693-C696 VanDerWaalsContact CB-SG 3.55Å; C696-S698 PolarHBondContact O-N 3.1Å; C696-S698 WeakPolarHBondContact SG-CB 3.46Å; C696-S698 PolarHBondContact SG-OG 2.81Å; C696-C717 VanDerWaalsContact SG-SG 3.65Å
697	N	82.3	Confident	72	Confident	116 Å²	116	61.4 Å²	61.4	62%	0.62	35%	0.349	S	S	*	.			trans	53.3	18.8	-174.2	-76	-18.4	0	0	0	114.8	L692 C693	L692-N697 WeakPolarHBondContact CD2-O 3.48Å; C693-N697 VanDerWaalsContact O-CA 3.26Å; C693-N697 WeakPolarHBondContact O-CA 3.38Å; C693-N697 PolarHBondContact O-N 2.86Å; C693-N697 PolarHBondContact O-OD1 2.89Å
698	S	75.6	Confident	73.5	Confident	39 Å²	39	55 Å²	55	27%	0.273	32%	0.321	S	S	.	.			trans	-70.7	140.4	174.4	-68.2	0	0	0	0	110.6	L692 C693 C696 L700	L692-S698 CarbonylContact C-O 3.55Å; L692-S698 WeakPolarHBondContact CA-O 3.27Å; C693-S698 PolarHBondContact N-O 3.26Å; C696-S698 PolarHBondContact O-N 3.1Å; C696-S698 WeakPolarHBondContact SG-CB 3.46Å; C696-S698 PolarHBondContact SG-OG 2.81Å; S698-L700 PolarHBondContact O-N 3.38Å
699	L	71	Confident	75	Confident	32 Å²	32	47.4 Å²	47.4	17%	0.168	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-62.7	115.7	174.9	-174.8	67.7	0	0	0	110.3	L292 L692 A701 L702	L292-L699 HydrophobicContact CD1-CD2 4.27Å; L292-L699 HydrophobicContact CD2-CD2 4.08Å; L692-L699 HydrophobicContact CD2-CD1 4.31Å; L699-A701 HydrophobicContact CD2-CB 4.18Å; L699-A701 HydrophobicContact CG-CB 4Å; L699-A701 PolarHBondContact O-N 3.36Å; L699-L702 HydrophobicContact CB-CD1 4.24Å; L699-L702 HydrophobicContact CB-CG 4.36Å; L699-L702 HydrophobicContact CD2-CD1 4.24Å; L699-L702 HydrophobicContact CD2-CG 4.12Å; L699-L702 HydrophobicContact CG-CG 4.47Å; L699-L702 WeakPolarHBondContact O-CB 3.22Å; L699-L702 PolarHBondContact O-N 3.33Å
700	L	73.5	Confident	76.5	Confident	9 Å²	9	43 Å²	43	5%	0.047	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67.7	-21.4	-175.3	-65.7	173.5	0	0	0	113	S691 C693 S698 L702 S703 L715 C717	S691-L700 WeakPolarHBondContact O-CB 3.34Å; S691-L700 WeakPolarHBondContact O-CG 3.49Å; S691-L700 PolarHBondContact O-N 3.15Å; C693-L700 HydrophobicContact CB-CD2 3.83Å; S698-L700 PolarHBondContact O-N 3.38Å; L700-L702 PolarHBondContact O-N 3.49Å; L700-L702 VanDerWaalsContact O-N 3.13Å; L700-S703 WeakPolarHBondContact O-CB 3.32Å; L700-S703 PolarHBondContact O-N 3.44Å; L700-L715 HydrophobicContact CD1-CB 3.28Å; L700-L715 HydrophobicContact CD1-CD1 3.8Å; L700-L715 HydrophobicContact CD1-CG 4.1Å; L700-C717 HydrophobicContact CD2-CB 3.66Å
701	A	63.8	Low	77.5	Confident	43 Å²	43	41.8 Å²	41.8	36%	0.355	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.8	-20.9	171.4	0	0	0	0	0	113.2	L699	L699-A701 HydrophobicContact CD2-CB 4.18Å; L699-A701 HydrophobicContact CG-CB 4Å; L699-A701 PolarHBondContact O-N 3.36Å
702	L	60.4	Low	78.2	Confident	112 Å²	112	42.3 Å²	42.3	59%	0.586	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-99.6	0.2	176.3	-54.4	176.4	0	0	0	112.7	L548 L699 L700	L548-L702 HydrophobicContact CD2-CD2 3.91Å; L699-L702 HydrophobicContact CB-CD1 4.24Å; L699-L702 HydrophobicContact CB-CG 4.36Å; L699-L702 HydrophobicContact CD2-CD1 4.24Å; L699-L702 HydrophobicContact CD2-CG 4.12Å; L699-L702 HydrophobicContact CG-CG 4.47Å; L699-L702 WeakPolarHBondContact O-CB 3.22Å; L699-L702 PolarHBondContact O-N 3.33Å; L700-L702 PolarHBondContact O-N 3.49Å; L700-L702 VanDerWaalsContact O-N 3.13Å
703	S	63.6	Low	78.5	Confident	8 Å²	8	38 Å²	38	6%	0.056	22%	0.223	C	C	.	.	S	Bend	trans	-90.4	133.1	178.7	-168.8	0	0	0	0	110	P549 L700 Q705	P549-S703 WeakPolarHBondContact CG-O 3.42Å; L700-S703 WeakPolarHBondContact O-CB 3.32Å; L700-S703 PolarHBondContact O-N 3.44Å; S703-Q705 PolarHBondContact O-N 3.14Å; S703-Q705 PolarHBondContact OG-O 3.24Å
704	N	62.1	Low	78.7	Confident	119 Å²	119	41.5 Å²	41.5	64%	0.636	24%	0.241	S	C	*	.	S	Bend	trans	-57.3	-32.3	175.5	-68.7	-4.6	0	0	0	112.3
705	Q	70.8	Confident	78.6	Confident	89 Å²	89	40 Å²	40	42%	0.416	23%	0.23	S	C	.	.			trans	-149.7	144.6	177.9	-172.1	179	10.6	0	0	109.7	S703 V707 S718	S703-Q705 PolarHBondContact O-N 3.14Å; S703-Q705 PolarHBondContact OG-O 3.24Å; Q705-V707 HydrophobicContact CG-CG1 4.47Å; Q705-S718 PolarHBondContact O-N 3.5Å
706	S	77.4	Confident	78.6	Confident	11 Å²	11	37.3 Å²	37.3	8%	0.077	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.6	171.7	59.9	0	0	0	0	108.8	H558 T716	H558-S706 PolarHBondContact CE1-OG 3.37Å; S706-T716 WeakPolarHBondContact CA-O 3.41Å
707	V	81.6	Confident	78.4	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	160.2	179.8	-58.7	0	0	0	0	109.6	D561 Q705 L715 T716 I721 Q740	D561-V707 WeakPolarHBondContact OD1-CB 3.49Å; Q705-V707 HydrophobicContact CG-CG1 4.47Å; V707-L715 WeakPolarHBondContact O-CA 3.39Å; V707-T716 HydrophobicContact CG2-CG2 3.65Å; V707-T716 PolarHBondContact N-O 3.24Å; V707-T716 VanDerWaalsContact N-O 3.07Å; V707-T716 WeakPolarHBondContact O-CG2 3.25Å; V707-T716 PolarHBondContact O-N 2.92Å; V707-I721 HydrophobicContact CB-CD1 4.37Å; V707-I721 HydrophobicContact CG1-CD1 4.17Å; V707-I721 HydrophobicContact CG2-CD1 3.33Å; V707-I721 HydrophobicContact CG2-CG1 3.62Å; V707-Q740 HydrophobicContact CB-CB 4.48Å; V707-Q740 HydrophobicContact CB-CG 4.42Å; V707-Q740 HydrophobicContact CG2-CB 3.79Å; V707-Q740 HydrophobicContact CG2-CG 4.05Å
708	H	86.7	Confident	78.5	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.4	169.3	-68.8	82.8	0	0	0	110.7	D561 W683 T684 C686 H710 G713 L715	D561-H708 PolarHBondContact OD1-N 3.09Å; D561-H708 IonicContact OD2-CE1 3.6Å; D561-H708 IonicContact OD2-CG 2.76Å; D561-H708 PolarHBondContact OD2-N 3.12Å; D561-H708 IonicContact OD2-ND1 3.51Å; D561-H708 PolarHBondContact OD2-ND1 3.48Å; W683-H708 HydrophobicContact CD2-CB 3.8Å; W683-H708 AromaticContact CD2-CG 3.89Å; W683-H708 HydrophobicContact CE3-CB 3.42Å; W683-H708 VanDerWaalsContact CE3-CB 3.42Å; W683-H708 AromaticContact CE3-CD2 3.99Å; W683-H708 AromaticContact CE3-CG 3.32Å; W683-H708 AromaticContact CE3-ND1 3.55Å; W683-H708 HydrophobicContact CH2-CB 3.83Å; W683-H708 HydrophobicContact CZ2-CB 4.25Å; W683-H708 HydrophobicContact CZ3-CB 3.44Å; W683-H708 VanDerWaalsContact CZ3-CB 3.44Å; W683-H708 AromaticContact CZ3-CG 3.72Å; W683-H708 AromaticContact CZ3-ND1 3.8Å; T684-H708 PolarHBondContact O-NE2 3.26Å; C686-H708 PolarHBondContact SG-CE1 2.99Å; H708-H710 PolarHBondContact O-N 3.31Å; H708-H710 PolarHBondContact O-ND1 3.06Å; H708-G713 PolarHBondContact CD2-O 3.35Å; H708-L715 VanDerWaalsContact CE1-CD2 3.45Å; H708-L715 WeakPolarHBondContact CE1-CD2 3.17Å
709	C	88	Confident	78.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.			trans	-69.5	122.6	161.6	177.9	0	0	0	0	108.4	S711 C712 G713 L714 Q740 C742	C709-S711 PolarHBondContact O-N 2.76Å; C709-C712 WeakPolarHBondContact CB-SG 3.4Å; C709-C712 VanDerWaalsContact SG-SG 3.61Å; C709-G713 VanDerWaalsContact O-CA 3.3Å; C709-G713 WeakPolarHBondContact O-CA 3.29Å; C709-G713 PolarHBondContact O-N 3.34Å; C709-L714 PolarHBondContact N-O 3.45Å; C709-Q740 WeakPolarHBondContact CA-O 3.29Å; C709-C742 HydrophobicContact CB-CB 4.04Å; C709-C742 PolarHBondContact SG-N 2.94Å
710	H	84.6	Confident	79.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-21.5	-177.8	-75.1	66.9	0	0	0	113	T568 I679 N680 W683 H708 V739 Q740 F741	T568-H710 PolarHBondContact OG1-NE2 3.01Å; I679-H710 CarbonylContact C-O 3.52Å; I679-H710 WeakPolarHBondContact CA-O 3.42Å; I679-H710 HydrophobicContact CD1-CB 4.06Å; N680-H710 PolarHBondContact N-O 2.88Å; W683-H710 AromaticContact CH2-CD2 3.95Å; W683-H710 AromaticContact CH2-CE1 3.71Å; W683-H710 AromaticContact CH2-NE2 3.6Å; W683-H710 AromaticContact CZ2-CD2 3.57Å; W683-H710 AromaticContact CZ2-CG 3.87Å; W683-H710 AromaticContact CZ2-NE2 3.74Å; H708-H710 PolarHBondContact O-N 3.31Å; H708-H710 PolarHBondContact O-ND1 3.06Å; H710-V739 HydrophobicContact CB-CG1 3.57Å; H710-V739 VanDerWaalsContact CG-CG1 3.48Å; H710-Q740 PolarHBondContact N-O 3.42Å; H710-Q740 PolarHBondContact ND1-N 3.29Å; H710-Q740 VanDerWaalsContact ND1-N 3.16Å; H710-Q740 PolarHBondContact ND1-O 3.5Å; H710-Q740 VanDerWaalsContact ND1-O 3.1Å; H710-F741 HydrophobicContact CB-CE1 4.12Å; H710-F741 HydrophobicContact CB-CZ 4.36Å
711	S	85.2	Confident	80.2	Confident	19 Å²	19	38.4 Å²	38.4	13%	0.133	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-43.7	179.1	169.9	0	0	0	0	113.6	I678 N680 C709	I678-S711 WeakPolarHBondContact O-CA 3.34Å; N680-S711 VanDerWaalsContact CB-O 3.3Å; N680-S711 WeakPolarHBondContact CB-O 3.37Å; N680-S711 PolarHBondContact ND2-O 3.35Å; N680-S711 VanDerWaalsContact ND2-O 3.12Å; C709-S711 PolarHBondContact O-N 2.76Å
712	C	87.8	Confident	81.2	Confident	37 Å²	37	37.9 Å²	37.9	25%	0.25	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-10.2	-179.9	67.8	0	0	0	0	114.8	N680 C709 L714 C745	N680-C712 PolarHBondContact ND2-O 3.49Å; C709-C712 WeakPolarHBondContact CB-SG 3.4Å; C709-C712 VanDerWaalsContact SG-SG 3.61Å; C712-L714 HydrophobicContact CB-CG 4.31Å; C712-L714 PolarHBondContact O-N 3.48Å; C712-L714 VanDerWaalsContact O-N 3.15Å; C712-C745 VanDerWaalsContact CB-SG 3.58Å
713	G	85.8	Confident	81.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.			trans	69.1	4.9	-177.2	0	0	0	0	0	114.4	T684 H708 C709	T684-G713 PolarHBondContact N-O 2.61Å; T684-G713 PolarHBondContact OG1-O 3.26Å; H708-G713 PolarHBondContact CD2-O 3.35Å; C709-G713 VanDerWaalsContact O-CA 3.3Å; C709-G713 WeakPolarHBondContact O-CA 3.29Å; C709-G713 PolarHBondContact O-N 3.34Å
714	L	88.6	Confident	82.2	Confident	74 Å²	74	43.5 Å²	43.5	39%	0.387	23%	0.233	S	C	.	.			trans	-91.3	150	178.8	-54.7	178.3	0	0	0	111.5	T684 C694 C709 C712	T684-L714 HydrophobicContact CG2-CD2 3.51Å; C694-L714 HydrophobicContact CB-CB 3.57Å; C694-L714 HydrophobicContact CB-CD1 3.65Å; C694-L714 HydrophobicContact CB-CG 4.27Å; C709-L714 PolarHBondContact N-O 3.45Å; C712-L714 HydrophobicContact CB-CG 4.31Å; C712-L714 PolarHBondContact O-N 3.48Å; C712-L714 VanDerWaalsContact O-N 3.15Å
715	L	86.7	Confident	82.5	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.5	174.2	-72.3	162.3	0	0	0	112.3	C694 L700 V707 H708	C694-L715 PolarHBondContact N-O 3.36Å; L700-L715 HydrophobicContact CD1-CB 3.28Å; L700-L715 HydrophobicContact CD1-CD1 3.8Å; L700-L715 HydrophobicContact CD1-CG 4.1Å; V707-L715 WeakPolarHBondContact O-CA 3.39Å; H708-L715 VanDerWaalsContact CE1-CD2 3.45Å; H708-L715 WeakPolarHBondContact CE1-CD2 3.17Å
716	T	87.8	Confident	82.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143	175.2	-172.6	0	0	0	0	111	S706 V707 C720 I721 C742	S706-T716 WeakPolarHBondContact CA-O 3.41Å; V707-T716 HydrophobicContact CG2-CG2 3.65Å; V707-T716 PolarHBondContact N-O 3.24Å; V707-T716 VanDerWaalsContact N-O 3.07Å; V707-T716 WeakPolarHBondContact O-CG2 3.25Å; V707-T716 PolarHBondContact O-N 2.92Å; T716-C720 WeakPolarHBondContact OG1-CB 3.25Å; T716-C720 PolarHBondContact OG1-O 3.18Å; T716-I721 HydrophobicContact CG2-CG1 3.59Å; T716-C742 HydrophobicContact CG2-CB 4.46Å
717	C	83.9	Confident	81.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	157.1	174.8	76.2	0	0	0	0	110.4	C693 C696 L700 R719 C720 I721	C693-C717 HydrophobicContact CB-CB 4.02Å; C693-C717 PolarHBondContact SG-N 2.85Å; C696-C717 VanDerWaalsContact SG-SG 3.65Å; L700-C717 HydrophobicContact CD2-CB 3.66Å; C717-R719 PolarHBondContact O-N 3.18Å; C717-C720 PolarHBondContact O-N 3.4Å; C717-I721 PolarHBondContact O-N 2.07Å
718	S	83.4	Confident	80.5	Confident	48 Å²	48	42.4 Å²	42.4	34%	0.336	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-27	179.6	57.6	0	0	0	0	115	Q705	Q705-S718 PolarHBondContact O-N 3.5Å
719	R	83.1	Confident	78.9	Confident	183 Å²	183	45.6 Å²	45.6	69%	0.691	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.4	177	-65.5	-179.3	-80.2	178	-4.8	114	C717	C717-R719 PolarHBondContact O-N 3.18Å
720	C	88.5	Confident	77.4	Confident	12 Å²	12	47.1 Å²	47.1	8%	0.081	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	2.7	-176.5	-64.1	0	0	0	0	113.1	V695 T716 C717 C742 N743	V695-C720 HydrophobicContact CB-CB 3.68Å; V695-C720 HydrophobicContact CG1-CB 4.07Å; V695-C720 HydrophobicContact CG2-CB 3.88Å; T716-C720 WeakPolarHBondContact OG1-CB 3.25Å; T716-C720 PolarHBondContact OG1-O 3.18Å; C717-C720 PolarHBondContact O-N 3.4Å; C720-C742 WeakPolarHBondContact O-CA 3.41Å; C720-N743 PolarHBondContact O-N 3.4Å; C720-N743 VanDerWaalsContact O-N 3.14Å
721	I	85	Confident	76.3	Confident	30 Å²	30	48.1 Å²	48.1	15%	0.154	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-70.6	131.1	164.9	-65	170.8	0	0	0	107.7	V707 T716 C717	V707-I721 HydrophobicContact CB-CD1 4.37Å; V707-I721 HydrophobicContact CG1-CD1 4.17Å; V707-I721 HydrophobicContact CG2-CD1 3.33Å; V707-I721 HydrophobicContact CG2-CG1 3.62Å; T716-I721 HydrophobicContact CG2-CG1 3.59Å; C717-I721 PolarHBondContact O-N 2.07Å
722	H	84.8	Confident	75.1	Confident	32 Å²	32	49.9 Å²	49.9	15%	0.148	28%	0.278	C	S	.	.			trans	-74.8	126.6	173.1	-166.4	-80.4	0	0	0	109.6	D724 F741 N743 V746 R750	H722-D724 VanDerWaalsContact C-N 3.31Å; H722-D724 PolarHBondContact CE1-O 3.38Å; H722-D724 PolarHBondContact ND1-N 3.19Å; H722-D724 VanDerWaalsContact ND1-N 3.17Å; H722-D724 PolarHBondContact ND1-O 3.26Å; H722-D724 PolarHBondContact O-N 2.89Å; H722-F741 PolarHBondContact N-O 3.31Å; H722-N743 WeakPolarHBondContact CA-OD1 3.45Å; H722-N743 WeakPolarHBondContact CB-OD1 3.4Å; H722-V746 HydrophobicContact CB-CB 4.36Å; H722-V746 HydrophobicContact CB-CG2 3.6Å; H722-R750 PolarHBondContact CE1-NH2 3.32Å
723	S	74.7	Confident	73.4	Confident	121 Å²	121	49 Å²	49	85%	0.846	27%	0.272	S	S	*	.	S	Bend	trans	-72.2	-21.8	-173.4	53.3	0	0	0	0	114.5
724	D	70.5	Confident	71.6	Confident	117 Å²	117	56.1 Å²	56.1	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-140.8	75.2	-175.8	-172.3	30.6	0	0	0	111.4	H722	H722-D724 VanDerWaalsContact C-N 3.31Å; H722-D724 PolarHBondContact CE1-O 3.38Å; H722-D724 PolarHBondContact ND1-N 3.19Å; H722-D724 VanDerWaalsContact ND1-N 3.17Å; H722-D724 PolarHBondContact ND1-O 3.26Å; H722-D724 PolarHBondContact O-N 2.89Å
725	P	67.7	Low	69.6	Low	34 Å²	34	59.5 Å²	59.5	22%	0.221	32%	0.324	C	S	.	.			trans	-66.8	150.5	-177.3	29.2	-34.2	0	0	0	111.5	T727 F741	P725-T727 PolarHBondContact O-N 3.41Å; P725-F741 HydrophobicContact CB-CD2 3.43Å; P725-F741 VanDerWaalsContact CB-CD2 3.43Å; P725-F741 HydrophobicContact CB-CE2 4.01Å; P725-F741 HydrophobicContact CB-CG 4.45Å; P725-F741 HydrophobicContact CG-CD2 4.29Å
726	P	62.3	Low	67.7	Low	46 Å²	46	65.9 Å²	65.9	30%	0.299	35%	0.353	S	S	.	.			trans	-57.8	135.5	177.4	23.9	-31.9	0	0	0	110.1	I728 L749	P726-I728 PolarHBondContact O-N 2.94Å; P726-L749 HydrophobicContact CG-CB 4.44Å
727	T	61.6	Low	66	Low	103 Å²	103	73.8 Å²	73.8	63%	0.632	38%	0.383	S	S	*	.			trans	-58.5	114.8	169.1	37.2	0	0	0	0	108.4	P725 P729	P725-T727 PolarHBondContact O-N 3.41Å; T727-P729 VanDerWaalsContact O-CD 3.22Å; T727-P729 WeakPolarHBondContact O-CD 3.37Å
728	I	63.3	Low	64.8	Low	23 Å²	23	74.9 Å²	74.9	12%	0.118	39%	0.391	C	S	.	.			trans	-79.5	113.1	175.2	-55.3	176.6	0	0	0	107.3	I678 P726 S730 L731 F741	I678-I728 HydrophobicContact CD1-CB 4.17Å; I678-I728 HydrophobicContact CD1-CD1 3.55Å; I678-I728 HydrophobicContact CD1-CG1 3.67Å; I678-I728 HydrophobicContact CD1-CG2 3.47Å; I678-I728 VanDerWaalsContact CD1-CG2 3.47Å; I678-I728 HydrophobicContact CG1-CD1 3.6Å; I678-I728 HydrophobicContact CG1-CG1 4.29Å; I678-I728 HydrophobicContact CG1-CG2 4.41Å; P726-I728 PolarHBondContact O-N 2.94Å; I728-S730 PolarHBondContact O-N 2.75Å; I728-L731 HydrophobicContact CB-CD1 3.68Å; I728-L731 HydrophobicContact CD1-CD1 3.88Å; I728-L731 HydrophobicContact CG1-CD1 4.38Å; I728-L731 HydrophobicContact CG2-CD1 3.36Å; I728-F741 HydrophobicContact CD1-CE2 3.98Å; I728-F741 HydrophobicContact CD1-CZ 3.47Å; I728-F741 VanDerWaalsContact CD1-CZ 3.47Å
729	P	53.6	Low	64.3	Low	70 Å²	70	73.5 Å²	73.5	46%	0.455	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	136.6	176.5	-19	32.7	0	0	0	108.8	T727 L731	T727-P729 VanDerWaalsContact O-CD 3.22Å; T727-P729 WeakPolarHBondContact O-CD 3.37Å; P729-L731 PolarHBondContact O-N 3.34Å
730	S	56.6	Low	64.3	Low	32 Å²	32	67.4 Å²	67.4	22%	0.224	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-0.5	170.2	-24	0	0	0	0	118.3	I728 W732	I728-S730 PolarHBondContact O-N 2.75Å; S730-W732 PolarHBondContact O-N 3.49Å
731	L	61.3	Low	64.2	Low	20 Å²	20	66.9 Å²	66.9	11%	0.105	36%	0.356	C	S	.	.			trans	-73.4	116.2	165.6	-101.8	115	0	0	0	109.4	T568 D571 I728 P729 S733	T568-L731 HydrophobicContact CG2-CD2 3.83Å; D571-L731 HydrophobicContact CB-CD2 4.2Å; I728-L731 HydrophobicContact CB-CD1 3.68Å; I728-L731 HydrophobicContact CD1-CD1 3.88Å; I728-L731 HydrophobicContact CG1-CD1 4.38Å; I728-L731 HydrophobicContact CG2-CD1 3.36Å; P729-L731 PolarHBondContact O-N 3.34Å; L731-S733 PolarHBondContact O-N 3.42Å
732	W	59.1	Low	64.5	Low	57 Å²	57	65.5 Å²	65.5	22%	0.216	35%	0.349	C	S	.	.			trans	-75.1	23.6	-173.6	-59.7	-57.2	0	0	0	115.9	R574 L575 A578 D660 L664 S730 N734	R574-W732 VanDerWaalsContact C-CH2 3.5Å; R574-W732 HydrophobicContact CB-CE3 3.57Å; R574-W732 HydrophobicContact CB-CH2 4.47Å; R574-W732 HydrophobicContact CB-CZ3 3.27Å; R574-W732 WeakPolarHBondContact O-CH2 3.22Å; R574-W732 WeakPolarHBondContact O-CZ3 3.27Å; L575-W732 VanDerWaalsContact CA-CH2 3.41Å; L575-W732 HydrophobicContact CB-CH2 4.38Å; L575-W732 HydrophobicContact CB-CZ3 4.42Å; L575-W732 HydrophobicContact CD1-CZ2 4.31Å; A578-W732 HydrophobicContact CB-CH2 3.48Å; A578-W732 VanDerWaalsContact CB-CH2 3.48Å; A578-W732 HydrophobicContact CB-CZ2 3.98Å; D660-W732 HydrophobicContact CB-CD2 4.41Å; D660-W732 HydrophobicContact CB-CH2 3.81Å; D660-W732 HydrophobicContact CB-CZ2 3.44Å; D660-W732 VanDerWaalsContact CB-CZ2 3.44Å; D660-W732 HydrophobicContact CB-CZ3 4.38Å; L664-W732 HydrophobicContact CD1-CZ2 4.31Å; S730-W732 PolarHBondContact O-N 3.49Å; W732-N734 PolarHBondContact O-N 3.41Å
733	S	53.2	Low	64.6	Low	19 Å²	19	66.8 Å²	66.8	13%	0.133	36%	0.357	C	S	.	.			trans	-70.2	111.5	170.3	167.5	0	0	0	0	109.4	L731 E735	L731-S733 PolarHBondContact O-N 3.42Å; S733-E735 PolarHBondContact O-N 2.89Å; S733-E735 VanDerWaalsContact O-N 3.16Å; S733-E735 WeakPolarHBondContact OG-CA 3.33Å; S733-E735 PolarHBondContact OG-N 3.32Å; S733-E735 VanDerWaalsContact OG-N 3.11Å; S733-E735 PolarHBondContact OG-O 3.12Å
734	N	46.9	Very low	65.2	Low	149 Å²	149	64.1 Å²	64.1	80%	0.797	34%	0.338	S	S	*	.	S	Bend	trans	-66.6	-5.4	166.9	-73.5	-49.8	0	0	0	112.3	W732	W732-N734 PolarHBondContact O-N 3.41Å
735	E	46.9	Very low	66	Low	145 Å²	145	58.8 Å²	58.8	68%	0.678	31%	0.311	S	S	*	.			trans	-120.4	58.4	-177.1	-62.1	-174.5	175.4	0	0	109.8	S733 R737 S738	S733-E735 PolarHBondContact O-N 2.89Å; S733-E735 VanDerWaalsContact O-N 3.16Å; S733-E735 WeakPolarHBondContact OG-CA 3.33Å; S733-E735 PolarHBondContact OG-N 3.32Å; S733-E735 VanDerWaalsContact OG-N 3.11Å; S733-E735 PolarHBondContact OG-O 3.12Å; E735-R737 PolarHBondContact O-N 3.21Å; E735-S738 PolarHBondContact O-N 2.78Å; E735-S738 VanDerWaalsContact O-N 3.14Å
736	Q	48.2	Very low	66.7	Low	141 Å²	141	57.2 Å²	57.2	66%	0.659	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-1.9	-178.5	-75.3	-168.7	-24.8	0	0	116.9
737	R	51	Low	67.6	Low	167 Å²	167	58.5 Å²	58.5	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.7	171.4	-67.8	-176.9	175.3	-165.8	-5.5	115.6	E735 H766	E735-R737 PolarHBondContact O-N 3.21Å; R737-H766 PolarHBondContact NE-NE2 3.2Å
738	S	59.9	Low	68.3	Low	23 Å²	23	59 Å²	59	16%	0.161	31%	0.306	C	S	.	.			trans	-91.3	-17.9	-167.5	63	0	0	0	0	116.7	S564 E735	S564-S738 PolarHBondContact OG-O 3.02Å; S564-S738 VanDerWaalsContact OG-O 3.12Å; E735-S738 PolarHBondContact O-N 2.78Å; E735-S738 VanDerWaalsContact O-N 3.14Å
739	V	72.8	Confident	68.7	Low	19 Å²	19	58.6 Å²	58.6	12%	0.115	30%	0.303	C	S	.	.			trans	-91.4	119.5	-173.3	-161.3	0	0	0	0	111.1	T568 I679 H710 F741	T568-V739 HydrophobicContact CG2-CG1 4.29Å; T568-V739 HydrophobicContact CG2-CG2 4.03Å; I679-V739 HydrophobicContact CD1-CG1 4.35Å; H710-V739 HydrophobicContact CB-CG1 3.57Å; H710-V739 VanDerWaalsContact CG-CG1 3.48Å; V739-F741 HydrophobicContact CB-CE2 3.86Å; V739-F741 HydrophobicContact CB-CZ 4.32Å; V739-F741 HydrophobicContact CG1-CD2 4.17Å; V739-F741 HydrophobicContact CG1-CE1 4.23Å; V739-F741 HydrophobicContact CG1-CE2 3.29Å; V739-F741 HydrophobicContact CG1-CZ 3.3Å
740	Q	82.2	Confident	69.5	Low	55 Å²	55	61.8 Å²	61.8	26%	0.257	31%	0.306	S	S	.	.			trans	-102.9	129.5	-177.8	-59.7	-63.1	-29.6	0	0	110.6	V707 C709 H710	V707-Q740 HydrophobicContact CB-CB 4.48Å; V707-Q740 HydrophobicContact CB-CG 4.42Å; V707-Q740 HydrophobicContact CG2-CB 3.79Å; V707-Q740 HydrophobicContact CG2-CG 4.05Å; C709-Q740 WeakPolarHBondContact CA-O 3.29Å; H710-Q740 PolarHBondContact N-O 3.42Å; H710-Q740 PolarHBondContact ND1-N 3.29Å; H710-Q740 VanDerWaalsContact ND1-N 3.16Å; H710-Q740 PolarHBondContact ND1-O 3.5Å; H710-Q740 VanDerWaalsContact ND1-O 3.1Å
741	F	87	Confident	70	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	33%	0.33	C	S	.	.			trans	-124.7	145	176.4	-63.6	-83.4	0	0	0	111	H710 H722 P725 I728 V739 V746 L749	H710-F741 HydrophobicContact CB-CE1 4.12Å; H710-F741 HydrophobicContact CB-CZ 4.36Å; H722-F741 PolarHBondContact N-O 3.31Å; P725-F741 HydrophobicContact CB-CD2 3.43Å; P725-F741 VanDerWaalsContact CB-CD2 3.43Å; P725-F741 HydrophobicContact CB-CE2 4.01Å; P725-F741 HydrophobicContact CB-CG 4.45Å; P725-F741 HydrophobicContact CG-CD2 4.29Å; I728-F741 HydrophobicContact CD1-CE2 3.98Å; I728-F741 HydrophobicContact CD1-CZ 3.47Å; I728-F741 VanDerWaalsContact CD1-CZ 3.47Å; V739-F741 HydrophobicContact CB-CE2 3.86Å; V739-F741 HydrophobicContact CB-CZ 4.32Å; V739-F741 HydrophobicContact CG1-CD2 4.17Å; V739-F741 HydrophobicContact CG1-CE1 4.23Å; V739-F741 HydrophobicContact CG1-CE2 3.29Å; V739-F741 HydrophobicContact CG1-CZ 3.3Å; F741-V746 HydrophobicContact CB-CG2 3.36Å; F741-V746 HydrophobicContact CG-CG2 4.18Å; F741-L749 HydrophobicContact CD1-CD1 3.8Å; F741-L749 HydrophobicContact CE1-CD1 3.78Å; F741-L749 HydrophobicContact CG-CD1 4.43Å; F741-L749 HydrophobicContact CZ-CD1 4.36Å
742	C	90	Very high	69.9	Low	2 Å²	2	69.9 Å²	69.9	1%	0.014	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-77.1	154.1	169	77.9	0	0	0	0	110.3	V695 C709 T716 C720 S744 C745 V746	V695-C742 HydrophobicContact CG2-CB 3.65Å; C709-C742 HydrophobicContact CB-CB 4.04Å; C709-C742 PolarHBondContact SG-N 2.94Å; T716-C742 HydrophobicContact CG2-CB 4.46Å; C720-C742 WeakPolarHBondContact O-CA 3.41Å; C742-S744 PolarHBondContact O-N 3.4Å; C742-S744 VanDerWaalsContact O-N 3.1Å; C742-C745 PolarHBondContact O-N 2.88Å; C742-C745 VanDerWaalsContact O-N 3.15Å; C742-C745 PolarHBondContact SG-N 3.06Å; C742-C745 VanDerWaalsContact SG-N 3.41Å; C742-C745 PolarHBondContact SG-SG 3.28Å; C742-V746 PolarHBondContact O-N 3.37Å; C742-V746 VanDerWaalsContact O-N 3.07Å
743	N	86.9	Confident	69.8	Low	58 Å²	58	69 Å²	69	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-54.8	-31.3	179.9	-69.6	-23.3	0	0	0	113.7	C720 H722 S747	C720-N743 PolarHBondContact O-N 3.4Å; C720-N743 VanDerWaalsContact O-N 3.14Å; H722-N743 WeakPolarHBondContact CA-OD1 3.45Å; H722-N743 WeakPolarHBondContact CB-OD1 3.4Å; N743-S747 PolarHBondContact O-N 3.07Å; N743-S747 PolarHBondContact O-OG 3.24Å
744	S	87.1	Confident	69.5	Low	65 Å²	65	73.6 Å²	73.6	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-53.5	176.5	-162.2	0	0	0	0	111.6	C742 V746 S747 E748	C742-S744 PolarHBondContact O-N 3.4Å; C742-S744 VanDerWaalsContact O-N 3.1Å; S744-V746 VanDerWaalsContact C-N 3.33Å; S744-V746 PolarHBondContact O-N 3.05Å; S744-S747 WeakPolarHBondContact O-CB 3.25Å; S744-S747 PolarHBondContact O-N 2.92Å; S744-S747 VanDerWaalsContact O-N 3.12Å; S744-E748 PolarHBondContact O-N 2.87Å
745	C	87.5	Confident	69.3	Low	6 Å²	6	72.1 Å²	72.1	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-64.6	-35.4	-179.4	-67.3	0	0	0	0	112.4	C712 C742 S747 E748 L749	C712-C745 VanDerWaalsContact CB-SG 3.58Å; C742-C745 PolarHBondContact O-N 2.88Å; C742-C745 VanDerWaalsContact O-N 3.15Å; C742-C745 PolarHBondContact SG-N 3.06Å; C742-C745 VanDerWaalsContact SG-N 3.41Å; C742-C745 PolarHBondContact SG-SG 3.28Å; C745-S747 VanDerWaalsContact C-N 3.28Å; C745-S747 PolarHBondContact O-N 2.85Å; C745-E748 PolarHBondContact O-N 3.15Å; C745-L749 WeakPolarHBondContact O-CB 3.45Å; C745-L749 VanDerWaalsContact O-CG 3.25Å; C745-L749 WeakPolarHBondContact O-CG 3.38Å; C745-L749 PolarHBondContact O-N 3.42Å
746	V	83.7	Confident	68.5	Low	1 Å²	1	73 Å²	73	1%	0.006	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-38.3	175	174.4	0	0	0	0	111.5	H722 F741 C742 S744 E748 L749 R750	H722-V746 HydrophobicContact CB-CB 4.36Å; H722-V746 HydrophobicContact CB-CG2 3.6Å; F741-V746 HydrophobicContact CB-CG2 3.36Å; F741-V746 HydrophobicContact CG-CG2 4.18Å; C742-V746 PolarHBondContact O-N 3.37Å; C742-V746 VanDerWaalsContact O-N 3.07Å; S744-V746 VanDerWaalsContact C-N 3.33Å; S744-V746 PolarHBondContact O-N 3.05Å; V746-E748 VanDerWaalsContact C-N 3.33Å; V746-L749 PolarHBondContact O-N 3.18Å; V746-R750 HydrophobicContact CG1-CG 4.42Å; V746-R750 WeakPolarHBondContact O-CG 3.38Å; V746-R750 PolarHBondContact O-N 3.2Å
747	S	79.8	Confident	67.7	Low	72 Å²	72	71.2 Å²	71.2	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-39.8	178.2	-57	0	0	0	0	111.5	N743 S744 C745 N751	N743-S747 PolarHBondContact O-N 3.07Å; N743-S747 PolarHBondContact O-OG 3.24Å; S744-S747 WeakPolarHBondContact O-CB 3.25Å; S744-S747 PolarHBondContact O-N 2.92Å; S744-S747 VanDerWaalsContact O-N 3.12Å; C745-S747 VanDerWaalsContact C-N 3.28Å; C745-S747 PolarHBondContact O-N 2.85Å; S747-N751 PolarHBondContact O-ND2 2.91Å
748	E	76.5	Confident	66.5	Low	115 Å²	115	68.3 Å²	68.3	54%	0.537	38%	0.382	S	S	.	.	H	α-helix	trans	-68.8	-44.3	174.2	-71.3	173.7	178.7	0	0	112.5	S744 C745 V746 R750 N751 T752	S744-E748 PolarHBondContact O-N 2.87Å; C745-E748 PolarHBondContact O-N 3.15Å; V746-E748 VanDerWaalsContact C-N 3.33Å; E748-R750 VanDerWaalsContact C-N 3.31Å; E748-R750 PolarHBondContact O-N 2.77Å; E748-N751 WeakPolarHBondContact O-CB 3.27Å; E748-N751 PolarHBondContact O-N 3.49Å; E748-T752 PolarHBondContact O-N 3.4Å; E748-T752 VanDerWaalsContact O-N 3.12Å; E748-T752 PolarHBondContact O-OG1 2.73Å
749	L	73	Confident	64.9	Low	14 Å²	14	73.2 Å²	73.2	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-38.4	179.7	-74.6	168.6	0	0	0	112.3	I678 P726 F741 C745 V746 N751 T752 C753	I678-L749 HydrophobicContact CD1-CD2 3.95Å; I678-L749 HydrophobicContact CG1-CD2 3.83Å; P726-L749 HydrophobicContact CG-CB 4.44Å; F741-L749 HydrophobicContact CD1-CD1 3.8Å; F741-L749 HydrophobicContact CE1-CD1 3.78Å; F741-L749 HydrophobicContact CG-CD1 4.43Å; F741-L749 HydrophobicContact CZ-CD1 4.36Å; C745-L749 WeakPolarHBondContact O-CB 3.45Å; C745-L749 VanDerWaalsContact O-CG 3.25Å; C745-L749 WeakPolarHBondContact O-CG 3.38Å; C745-L749 PolarHBondContact O-N 3.42Å; V746-L749 PolarHBondContact O-N 3.18Å; L749-N751 VanDerWaalsContact C-N 3.25Å; L749-N751 PolarHBondContact O-N 3.08Å; L749-T752 PolarHBondContact O-N 3Å; L749-C753 PolarHBondContact O-N 3.37Å
750	R	70.8	Confident	62.7	Low	136 Å²	136	77.1 Å²	77.1	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-64	-29.4	175.6	-77	-180	177.2	172.4	2.5	113.1	H722 V746 E748	H722-R750 PolarHBondContact CE1-NH2 3.32Å; V746-R750 HydrophobicContact CG1-CG 4.42Å; V746-R750 WeakPolarHBondContact O-CG 3.38Å; V746-R750 PolarHBondContact O-N 3.2Å; E748-R750 VanDerWaalsContact C-N 3.31Å; E748-R750 PolarHBondContact O-N 2.77Å
751	N	65.2	Low	59.9	Low	134 Å²	134	79.6 Å²	79.6	72%	0.717	46%	0.463	S	S	*	.	H	α-helix	trans	-80.6	-26.1	176.6	-66.6	-23.5	0	0	0	112.5	S747 E748 L749	S747-N751 PolarHBondContact O-ND2 2.91Å; E748-N751 WeakPolarHBondContact O-CB 3.27Å; E748-N751 PolarHBondContact O-N 3.49Å; L749-N751 VanDerWaalsContact C-N 3.25Å; L749-N751 PolarHBondContact O-N 3.08Å
752	T	60.6	Low	57.1	Low	88 Å²	88	88.9 Å²	88.9	54%	0.54	50%	0.503	S	S	.	.	H	α-helix	trans	-97.9	-30	-170.7	-35.6	0	0	0	0	113	E748 L749	E748-T752 PolarHBondContact O-N 3.4Å; E748-T752 VanDerWaalsContact O-N 3.12Å; E748-T752 PolarHBondContact O-OG1 2.73Å; L749-T752 PolarHBondContact O-N 3Å
753	C	56	Low	54	Low	38 Å²	38	97.7 Å²	97.7	26%	0.257	54%	0.544	S	S	.	.			trans	-116	40.7	-171.5	-46.1	0	0	0	0	112.1	C674 L749 Y755	C674-C753 HydrophobicContact CB-CB 4.42Å; C674-C753 WeakPolarHBondContact CB-SG 3.25Å; C674-C753 WeakPolarHBondContact SG-CB 3.49Å; C674-C753 CovalentContact SG-SG 2.07Å; C674-C753 PolarHBondContact SG-SG 3.43Å; L749-C753 PolarHBondContact O-N 3.37Å; C753-Y755 VanDerWaalsContact C-N 3.29Å; C753-Y755 PolarHBondContact O-N 3.04Å
754	T	47.4	Very low	51.1	Low	116 Å²	116	101.1 Å²	101.1	71%	0.712	57%	0.567	S	S	*	*			trans	-61.5	83.9	175.4	38.6	0	0	0	0	111.8
755	Y	42.2	Very low	48.1	Very low	119 Å²	119	107.4 Å²	107.4	47%	0.467	59%	0.586	S	S	.	*			trans	-99.8	111.8	167.7	-104	-89.5	0	0	0	109.9	Q671 C753 S757	Q671-Y755 HydrophobicContact CB-CE2 4.5Å; Q671-Y755 PolarHBondContact OE1-OH 3.44Å; Q671-Y755 VanDerWaalsContact OE1-OH 3.08Å; C753-Y755 VanDerWaalsContact C-N 3.29Å; C753-Y755 PolarHBondContact O-N 3.04Å; Y755-S757 PolarHBondContact O-N 3.2Å
756	N	31	Very low	45.2	Very low	163 Å²	163	113 Å²	113	87%	0.872	61%	0.611	S	S	*	*			trans	-63.2	100.6	163.5	-79	-25.5	0	0	0	109
757	S	31.9	Very low	42.3	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	65%	0.651	S	S	*	*			trans	-109.8	68.8	168.9	51.9	0	0	0	0	110.4	Y755 T759	Y755-S757 PolarHBondContact O-N 3.2Å; S757-T759 VanDerWaalsContact C-N 3.33Å; S757-T759 PolarHBondContact O-N 3.03Å
758	S	24.7	Very low	39.7	Very low	105 Å²	105	123.4 Å²	123.4	73%	0.734	66%	0.656	S	S	*	*			trans	-72.1	91	152.2	53.3	0	0	0	0	107.6
759	T	26.7	Very low	37.2	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	67%	0.666	S	S	*	*			trans	177	132	147.7	23.1	0	0	0	0	113.2	S757	S757-T759 VanDerWaalsContact C-N 3.33Å; S757-T759 PolarHBondContact O-N 3.03Å
760	S	27	Very low	35	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	70%	0.701	S	S	*	*			trans	68.3	99.9	154.7	58.2	0	0	0	0	119.9
761	S	23.6	Very low	32.8	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	72%	0.715	S	S	*	*			trans	-45.1	130.2	149.2	55.3	0	0	0	0	113.8
762	F	27.6	Very low	30.9	Very low	195 Å²	195	131.4 Å²	131.4	86%	0.855	71%	0.711	S	S	*	*			trans	-138.8	111.4	149.3	-96.6	-82.4	0	0	0	110.2
763	H	24	Very low	29.2	Very low	188 Å²	188	135.3 Å²	135.3	87%	0.87	73%	0.728	S	S	*	*			trans	-58.7	126.7	169.3	-95.3	-82	0	0	0	111
764	V	26.8	Very low	27.7	Very low	130 Å²	130	141.2 Å²	141.2	79%	0.788	75%	0.751	S	S	*	*			trans	-128.5	121.1	158.8	-178.5	0	0	0	0	108.9	H766	V764-H766 PolarHBondContact O-N 3.39Å
765	K	24.3	Very low	26.7	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	75%	0.754	S	S	*	*			trans	-63.8	121.5	-178.3	-70.7	173.2	173.7	176.6	0	110.7	F767	K765-F767 PolarHBondContact O-N 3.12Å
766	H	26	Very low	25.8	Very low	124 Å²	124	141.9 Å²	141.9	57%	0.574	76%	0.762	S	S	*	*			trans	-78.8	116.7	168.4	-96.3	-72.9	0	0	0	110.7	R737 V764 T768	R737-H766 PolarHBondContact NE-NE2 3.2Å; V764-H766 PolarHBondContact O-N 3.39Å; H766-T768 PolarHBondContact O-N 2.96Å
767	F	23.5	Very low	25.6	Very low	191 Å²	191	137.9 Å²	137.9	84%	0.838	75%	0.752	S	S	*	*			trans	-73.7	106	156.1	-102.3	-95.6	0	0	0	108.3	K765	K765-F767 PolarHBondContact O-N 3.12Å
768	T	25.6	Very low	25.3	Very low	100 Å²	100	141.2 Å²	141.2	61%	0.613	75%	0.754	S	S	*	*			trans	-93.4	98.4	162.4	43.6	0	0	0	0	108.5	H766	H766-T768 PolarHBondContact O-N 2.96Å
769	Q	23.6	Very low	25.4	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.752	75%	0.753	S	S	*	*			trans	-113.2	74.3	155.4	-86.4	-171.7	-2.2	0	0	108.2	K771	Q769-K771 VanDerWaalsContact C-N 3.26Å; Q769-K771 PolarHBondContact O-N 3.36Å; Q769-K771 VanDerWaalsContact O-N 3.16Å
770	T	26.7	Very low	25.5	Very low	131 Å²	131	140.2 Å²	140.2	80%	0.804	74%	0.744	S	S	*	*			trans	-73.5	90.4	151.5	37.9	0	0	0	0	106.6	S772	T770-S772 VanDerWaalsContact C-N 3.31Å; T770-S772 PolarHBondContact O-N 3.03Å; T770-S772 VanDerWaalsContact O-N 3.09Å
771	K	24.8	Very low	25.4	Very low	184 Å²	184	141.9 Å²	141.9	80%	0.8	75%	0.749	S	S	*	*			trans	-65.7	103.6	154.4	-88.3	-173.8	175.3	-177.6	0	105.9	Q769 L773	Q769-K771 VanDerWaalsContact C-N 3.26Å; Q769-K771 PolarHBondContact O-N 3.36Å; Q769-K771 VanDerWaalsContact O-N 3.16Å; K771-L773 PolarHBondContact O-N 3.34Å
772	S	25.5	Very low	25.6	Very low	91 Å²	91	144 Å²	144	64%	0.636	77%	0.773	S	S	*	*			trans	-45.5	109.4	156.5	33.4	0	0	0	0	108.2	T770 E774	T770-S772 VanDerWaalsContact C-N 3.31Å; T770-S772 PolarHBondContact O-N 3.03Å; T770-S772 VanDerWaalsContact O-N 3.09Å; S772-E774 PolarHBondContact O-N 3.36Å
773	L	24.2	Very low	25.6	Very low	170 Å²	170	141.4 Å²	141.4	89%	0.89	77%	0.769	S	S	*	*			trans	-69.1	84.2	153.8	-92.6	148.3	0	0	0	105.2	K771 I775	K771-L773 PolarHBondContact O-N 3.34Å; L773-I775 VanDerWaalsContact C-N 3.32Å; L773-I775 PolarHBondContact O-N 3.39Å
774	E	24.2	Very low	25.6	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	76%	0.764	S	S	*	*			trans	-56.6	103.1	160.2	-73.2	179.6	168.4	0	0	106.4	S772 P776	S772-E774 PolarHBondContact O-N 3.36Å; E774-P776 WeakPolarHBondContact O-CD 3.49Å
775	I	26.5	Very low	25.6	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	76%	0.762	S	S	*	*			trans	-57.2	118.6	158.7	-62	170.4	0	0	0	104.5	L773 A777	L773-I775 VanDerWaalsContact C-N 3.32Å; L773-I775 PolarHBondContact O-N 3.39Å; I775-A777 PolarHBondContact O-N 3.07Å
776	P	24.2	Very low	25.6	Very low	98 Å²	98	136.1 Å²	136.1	64%	0.636	76%	0.757	S	S	*	*			trans	-58.4	120.2	178.5	-17	28.8	0	0	0	107.2	E774 F778	E774-P776 WeakPolarHBondContact O-CD 3.49Å; P776-F778 PolarHBondContact O-N 3.29Å
777	A	25.9	Very low	25.6	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	77%	0.768	S	S	*	*			trans	-54.6	111.5	159.1	0	0	0	0	0	105.6	I775 T779	I775-A777 PolarHBondContact O-N 3.07Å; A777-T779 PolarHBondContact O-N 2.72Å; A777-T779 PolarHBondContact O-OG1 3.43Å
778	F	27	Very low	25.8	Very low	174 Å²	174	133.2 Å²	133.2	76%	0.763	76%	0.764	S	S	*	*			trans	-60.6	88	167.6	-88.5	-87.8	0	0	0	107.1	P776 T780	P776-F778 PolarHBondContact O-N 3.29Å; F778-T780 VanDerWaalsContact C-N 3.29Å; F778-T780 PolarHBondContact O-N 3.18Å; F778-T780 VanDerWaalsContact O-N 3.12Å
779	T	26.7	Very low	25.8	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.724	77%	0.774	S	S	*	*			trans	-73.4	92.4	164.3	21.3	0	0	0	0	104.9	A777 T781	A777-T779 PolarHBondContact O-N 2.72Å; A777-T779 PolarHBondContact O-OG1 3.43Å; T779-T781 PolarHBondContact O-N 3.04Å
780	T	27.3	Very low	25.9	Very low	93 Å²	93	133.6 Å²	133.6	57%	0.571	78%	0.776	S	S	*	*			trans	-67.2	94.1	159.5	25.5	0	0	0	0	106.1	F778 A782	F778-T780 VanDerWaalsContact C-N 3.29Å; F778-T780 PolarHBondContact O-N 3.18Å; F778-T780 VanDerWaalsContact O-N 3.12Å; T780-A782 PolarHBondContact O-N 3.41Å
781	T	26.3	Very low	25.9	Very low	135 Å²	135	133.8 Å²	133.8	83%	0.828	77%	0.774	S	S	*	*			trans	-68.2	118.4	165.6	32	0	0	0	0	107.2	T779	T779-T781 PolarHBondContact O-N 3.04Å
782	A	27.9	Very low	26	Very low	151 Å²	151	129.3 Å²	129.3	100%	1.248	77%	0.771	S	S	*	*			trans	-83.3	0	153.8	0	0	0	0	0	109.4	T780	T780-A782 PolarHBondContact O-N 3.41Å

Retrieved 782 of 782 residues in 149.4 ms (Link to these results)

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