A0A087XKT0_POEFO Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A087XKT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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	83.4	Confident	92.7	Very high	244 Å²	244	85.8 Å²	85.8	100%	1.202	52%	0.521	S	S	*	.				0	-45	0	-65	-52.2	-75.5	0	0	112
2	C	92.3	Very high	92.6	Very high	122 Å²	122	89.1 Å²	89.1	82%	0.824	55%	0.551	S	S	*	*			trans	-112.1	166.1	177.3	55.8	0	0	0	0	111.6
3	G	93.6	Very high	91.7	Very high	65 Å²	65	87.5 Å²	87.5	67%	0.67	56%	0.563	S	S	*	*	S	Bend	trans	102.3	139.5	179.7	0	0	0	0	0	113.1
4	S	94.1	Very high	91	Very high	82 Å²	82	84.9 Å²	84.9	57%	0.573	55%	0.548	S	S	*	.			trans	-69.1	153.9	168.7	45.4	0	0	0	0	110.8	D6	S4-D6 PolarHBondContact OG-OD2 3.19Å
5	M	95.1	Very high	90.8	Very high	105 Å²	105	84.8 Å²	84.8	52%	0.517	54%	0.536	S	S	.	.			trans	-92.5	105.7	175.1	-62.9	-65.1	103.9	0	0	109.4	T9 L10	M5-T9 HydrophobicContact CE-CG2 4.26Å; M5-T9 HydrophobicContact SD-CG2 3.75Å; M5-L10 HydrophobicContact CB-CD1 3.55Å; M5-L10 HydrophobicContact CB-CG 3.98Å; M5-L10 HydrophobicContact CG-CD1 4.31Å
6	D	94.5	Very high	90.7	Very high	56 Å²	56	86.3 Å²	86.3	30%	0.299	54%	0.539	S	S	.	.			trans	-109.4	-179.4	-177.6	-55.6	-46.5	0	0	0	111.4	S4 G8 T9 L10	S4-D6 PolarHBondContact OG-OD2 3.19Å; D6-G8 PolarHBondContact O-N 3.45Å; D6-G8 VanDerWaalsContact O-N 3.11Å; D6-T9 PolarHBondContact O-N 2.88Å; D6-L10 PolarHBondContact O-N 3.28Å
7	K	93.4	Very high	90.9	Very high	113 Å²	113	82 Å²	82	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-53.8	-31.8	176.8	-178.3	173.3	178.3	-178.2	0	113.2	T9 G11 C138 G139	K7-T9 PolarHBondContact O-N 3.05Å; K7-G11 CarbonylContact O-C 3.6Å; K7-G11 WeakPolarHBondContact O-CA 3.25Å; K7-G11 PolarHBondContact O-N 3.24Å; K7-C138 WeakPolarHBondContact CB-O 3.38Å; K7-C138 PolarHBondContact N-O 3.41Å; K7-G139 WeakPolarHBondContact CD-O 3.39Å
8	G	91.6	Very high	91.2	Very high	39 Å²	39	81.4 Å²	81.4	40%	0.402	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-22.2	176.4	0	0	0	0	0	114.5	D6 S14	D6-G8 PolarHBondContact O-N 3.45Å; D6-G8 VanDerWaalsContact O-N 3.11Å; G8-S14 WeakPolarHBondContact O-CB 3.3Å
9	T	94.4	Very high	91.5	Very high	46 Å²	46	78.6 Å²	78.6	28%	0.282	48%	0.483	S	S	.	.	H	α-helix	trans	-111	-29.5	-173.5	-42.5	0	0	0	0	112.7	M5 D6 K7 N17 I18	M5-T9 HydrophobicContact CE-CG2 4.26Å; M5-T9 HydrophobicContact SD-CG2 3.75Å; D6-T9 PolarHBondContact O-N 2.88Å; K7-T9 PolarHBondContact O-N 3.05Å; T9-N17 CarbonylContact O-C 3.56Å; T9-N17 WeakPolarHBondContact O-CA 3.3Å; T9-N17 PolarHBondContact O-OD1 3.3Å; T9-I18 PolarHBondContact O-N 3.28Å
10	L	95.4	Very high	91.7	Very high	53 Å²	53	76.6 Å²	76.6	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-114.5	-18.3	178.3	-68.9	178.4	0	0	0	114	M5 D6 N17 I18 F19 L38	M5-L10 HydrophobicContact CB-CD1 3.55Å; M5-L10 HydrophobicContact CB-CG 3.98Å; M5-L10 HydrophobicContact CG-CD1 4.31Å; D6-L10 PolarHBondContact O-N 3.28Å; L10-N17 PolarHBondContact O-ND2 3.48Å; L10-I18 HydrophobicContact CD2-CG2 3.52Å; L10-F19 HydrophobicContact CB-CE2 4.38Å; L10-F19 HydrophobicContact CD2-CE2 3.73Å; L10-F19 HydrophobicContact CD2-CZ 3.88Å; L10-L38 HydrophobicContact CD1-CD2 4.05Å; L10-L38 HydrophobicContact CD2-CD2 4.26Å
11	G	92.5	Very high	91.8	Very high	19 Å²	19	75.2 Å²	75.2	20%	0.196	46%	0.456	C	S	.	.	S	Bend	trans	-91.1	175.2	-173.6	0	0	0	0	0	114.5	K7 G13 N17	K7-G11 CarbonylContact O-C 3.6Å; K7-G11 WeakPolarHBondContact O-CA 3.25Å; K7-G11 PolarHBondContact O-N 3.24Å; G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.49Å; G11-N17 PolarHBondContact N-ND2 3.42Å; G11-N17 PolarHBondContact O-ND2 2.94Å
12	S	90.5	Very high	92.4	Very high	125 Å²	125	65.6 Å²	65.6	87%	0.874	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.5	-172.1	53.3	0	0	0	0	116.1
13	G	81	Confident	92.6	Very high	69 Å²	69	62.8 Å²	62.8	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-10.9	-166.2	0	0	0	0	0	116.6	G11	G11-G13 VanDerWaalsContact C-N 3.3Å; G11-G13 PolarHBondContact O-N 3.49Å
14	S	82.6	Confident	92.7	Very high	50 Å²	50	62.6 Å²	62.6	35%	0.35	36%	0.364	S	S	.	.			trans	-137	146	-172.4	179.4	0	0	0	0	112	G8 N16 N17	G8-S14 WeakPolarHBondContact O-CB 3.3Å; S14-N16 VanDerWaalsContact C-N 3.27Å; S14-N16 PolarHBondContact OG-N 2.98Å; S14-N17 WeakPolarHBondContact O-CB 3.32Å
15	K	87.2	Confident	92.7	Very high	84 Å²	84	60.6 Å²	60.6	37%	0.365	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.3	173.3	-61.4	-169.4	-177.5	-169.7	0	112.7	N17 Y20 M267 E268 G269	K15-N17 PolarHBondContact O-N 2.98Å; K15-Y20 HydrophobicContact CB-CD1 4.41Å; K15-Y20 HydrophobicContact CB-CE1 4.29Å; K15-Y20 WeakPolarHBondContact O-CD1 3.34Å; K15-M267 PolarHBondContact NZ-O 3.25Å; K15-E268 VanDerWaalsContact CD-O 3.26Å; K15-E268 WeakPolarHBondContact CD-O 3.42Å; K15-G269 PolarHBondContact NZ-O 3.49Å
16	N	89.4	Confident	92.7	Very high	109 Å²	109	63.1 Å²	63.1	58%	0.583	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	22.7	175.4	-65.4	-17.5	0	0	0	113.2	S14	S14-N16 VanDerWaalsContact C-N 3.27Å; S14-N16 PolarHBondContact OG-N 2.98Å
17	N	94.6	Very high	92.7	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.07	35%	0.351	C	S	.	.			trans	-79.9	135.9	179.7	-178.4	-39.7	0	0	0	110.6	T9 L10 G11 S14 K15 F19 Y20 I21	T9-N17 CarbonylContact O-C 3.56Å; T9-N17 WeakPolarHBondContact O-CA 3.3Å; T9-N17 PolarHBondContact O-OD1 3.3Å; L10-N17 PolarHBondContact O-ND2 3.48Å; G11-N17 PolarHBondContact N-ND2 3.42Å; G11-N17 PolarHBondContact O-ND2 2.94Å; S14-N17 WeakPolarHBondContact O-CB 3.32Å; K15-N17 PolarHBondContact O-N 2.98Å; N17-F19 VanDerWaalsContact C-N 3.28Å; N17-F19 PolarHBondContact O-N 2.83Å; N17-F19 WeakPolarHBondContact OD1-CA 3.28Å; N17-F19 VanDerWaalsContact OD1-CB 3.31Å; N17-F19 WeakPolarHBondContact OD1-CB 3.47Å; N17-F19 WeakPolarHBondContact OD1-CD2 3.24Å; N17-F19 PolarHBondContact OD1-N 3.04Å; N17-Y20 WeakPolarHBondContact O-CB 3.34Å; N17-Y20 PolarHBondContact O-N 3.27Å; N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 2.83Å
18	I	95.8	Very high	92.9	Very high	71 Å²	71	63.9 Å²	63.9	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-35.7	178.6	-167.4	60.1	0	0	0	113.2	T9 L10 Y20 I21 L22	T9-I18 PolarHBondContact O-N 3.28Å; L10-I18 HydrophobicContact CD2-CG2 3.52Å; I18-Y20 VanDerWaalsContact C-N 3.34Å; I18-I21 HydrophobicContact CD1-CD1 4.48Å; I18-I21 WeakPolarHBondContact O-CB 3.42Å; I18-I21 PolarHBondContact O-N 3.38Å; I18-L22 WeakPolarHBondContact O-CG 3.2Å; I18-L22 PolarHBondContact O-N 3.3Å
19	F	96.8	Very high	93.2	Very high	28 Å²	28	67.8 Å²	67.8	12%	0.123	37%	0.374	C	S	.	.	H	α-helix	trans	-68.2	-35	174.9	-55.5	-57.3	0	0	0	111.9	L10 N17 L22 L23 A34 M35 L38	L10-F19 HydrophobicContact CB-CE2 4.38Å; L10-F19 HydrophobicContact CD2-CE2 3.73Å; L10-F19 HydrophobicContact CD2-CZ 3.88Å; N17-F19 VanDerWaalsContact C-N 3.28Å; N17-F19 PolarHBondContact O-N 2.83Å; N17-F19 WeakPolarHBondContact OD1-CA 3.28Å; N17-F19 VanDerWaalsContact OD1-CB 3.31Å; N17-F19 WeakPolarHBondContact OD1-CB 3.47Å; N17-F19 WeakPolarHBondContact OD1-CD2 3.24Å; N17-F19 PolarHBondContact OD1-N 3.04Å; F19-L22 PolarHBondContact O-N 3.22Å; F19-L23 VanDerWaalsContact O-CB 3.3Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3.09Å; F19-A34 HydrophobicContact CD1-CB 4.12Å; F19-A34 HydrophobicContact CE1-CB 3.94Å; F19-M35 HydrophobicContact CB-CG 4.42Å; F19-M35 HydrophobicContact CD1-CG 3.46Å; F19-M35 VanDerWaalsContact CD1-CG 3.46Å; F19-M35 HydrophobicContact CD2-CG 4.01Å; F19-M35 HydrophobicContact CD2-SD 4.47Å; F19-M35 HydrophobicContact CE1-CB 4.34Å; F19-M35 HydrophobicContact CE1-CG 3.56Å; F19-M35 HydrophobicContact CE2-CG 4.09Å; F19-M35 HydrophobicContact CG-CG 3.7Å; F19-M35 HydrophobicContact CG-SD 4.28Å; F19-M35 HydrophobicContact CZ-CG 3.87Å; F19-L38 HydrophobicContact CE2-CD2 4.26Å; F19-L38 HydrophobicContact CZ-CD2 3.71Å
20	Y	95.6	Very high	93.4	Very high	39 Å²	39	69.7 Å²	69.7	15%	0.153	38%	0.379	C	S	.	.	H	α-helix	trans	-67.7	-39.9	173.8	-175.4	-94.7	0	0	0	111.2	K15 N17 I18 L23 R24 M267 E268	K15-Y20 HydrophobicContact CB-CD1 4.41Å; K15-Y20 HydrophobicContact CB-CE1 4.29Å; K15-Y20 WeakPolarHBondContact O-CD1 3.34Å; N17-Y20 WeakPolarHBondContact O-CB 3.34Å; N17-Y20 PolarHBondContact O-N 3.27Å; I18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-L23 WeakPolarHBondContact O-CB 3.44Å; Y20-L23 PolarHBondContact O-N 2.91Å; Y20-R24 HydrophobicContact CD1-CG 4.11Å; Y20-R24 HydrophobicContact CE1-CG 3.69Å; Y20-R24 HydrophobicContact CE2-CG 4.3Å; Y20-R24 WeakPolarHBondContact O-CB 3.14Å; Y20-R24 WeakPolarHBondContact O-CG 3.42Å; Y20-R24 PolarHBondContact O-N 2.93Å; Y20-R24 PolarHBondContact OH-NE 3.01Å; Y20-M267 PolarHBondContact OH-O 2.8Å; Y20-E268 HydrophobicContact CE1-CG 4.4Å; Y20-E268 WeakPolarHBondContact OH-CA 3.28Å
21	I	94.8	Very high	93.4	Very high	48 Å²	48	67.4 Å²	67.4	25%	0.246	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-49.2	172.8	-66.3	171.3	0	0	0	110.4	N17 I18 L23 R24 D25	N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 2.83Å; I18-I21 HydrophobicContact CD1-CD1 4.48Å; I18-I21 WeakPolarHBondContact O-CB 3.42Å; I18-I21 PolarHBondContact O-N 3.38Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.13Å; I21-R24 PolarHBondContact O-N 3.1Å; I21-D25 WeakPolarHBondContact O-CB 3.25Å; I21-D25 PolarHBondContact O-N 3.28Å
22	L	96.3	Very high	93.7	Very high	42 Å²	42	68.8 Å²	68.8	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-45	176.6	-71.7	175.1	0	0	0	111.9	I18 F19 R24 W26 G27 A31 A34	I18-L22 WeakPolarHBondContact O-CG 3.2Å; I18-L22 PolarHBondContact O-N 3.3Å; F19-L22 PolarHBondContact O-N 3.22Å; L22-R24 PolarHBondContact O-N 3.12Å; L22-W26 HydrophobicContact CD2-CG 4.5Å; L22-W26 CarbonylContact O-C 3.56Å; L22-W26 WeakPolarHBondContact O-CA 3.23Å; L22-W26 WeakPolarHBondContact O-CB 3.48Å; L22-W26 PolarHBondContact O-N 3.38Å; L22-G27 PolarHBondContact O-N 3.05Å; L22-A31 HydrophobicContact CB-CB 4.08Å; L22-A34 HydrophobicContact CD1-CB 3.58Å
23	L	96.2	Very high	94	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-58.6	-45.8	178	173.3	63.5	0	0	0	112.2	F19 Y20 I21 G27 Q28 A31	F19-L23 VanDerWaalsContact O-CB 3.3Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3.09Å; Y20-L23 WeakPolarHBondContact O-CB 3.44Å; Y20-L23 PolarHBondContact O-N 2.91Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 3.13Å; L23-G27 WeakPolarHBondContact O-CA 3.45Å; L23-G27 PolarHBondContact O-N 3.27Å; L23-Q28 HydrophobicContact CD1-CB 4.1Å; L23-Q28 HydrophobicContact CD1-CG 3.37Å; L23-A31 HydrophobicContact CB-CB 4.14Å
24	R	94.4	Very high	94.9	Very high	61 Å²	61	63.1 Å²	63.1	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-79.9	-27.3	-174.1	-69	-68	169.5	-162.4	-8.7	114.5	Y20 I21 L22 A265 E268 K376	Y20-R24 HydrophobicContact CD1-CG 4.11Å; Y20-R24 HydrophobicContact CE1-CG 3.69Å; Y20-R24 HydrophobicContact CE2-CG 4.3Å; Y20-R24 WeakPolarHBondContact O-CB 3.14Å; Y20-R24 WeakPolarHBondContact O-CG 3.42Å; Y20-R24 PolarHBondContact O-N 2.93Å; Y20-R24 PolarHBondContact OH-NE 3.01Å; I21-R24 PolarHBondContact O-N 3.1Å; L22-R24 PolarHBondContact O-N 3.12Å; R24-A265 PolarHBondContact NH2-O 3.13Å; R24-E268 HydrophobicContact CG-CG 4.18Å; R24-K376 PolarHBondContact O-NZ 3.43Å
25	D	94.8	Very high	95.6	Very high	41 Å²	41	65.2 Å²	65.2	22%	0.219	33%	0.33	C	S	.	.	H	α-helix	trans	-105.2	-33.5	-173.8	-64.1	-15.7	0	0	0	112.7	I21 R278 N282 K376	I21-D25 WeakPolarHBondContact O-CB 3.25Å; I21-D25 PolarHBondContact O-N 3.28Å; D25-R278 VanDerWaalsContact CG-NH2 3.25Å; D25-R278 IonicContact OD1-NH2 2.83Å; D25-R278 PolarHBondContact OD1-NH2 3.46Å; D25-R278 IonicContact OD2-CZ 2.78Å; D25-R278 IonicContact OD2-NH2 3.28Å; D25-R278 PolarHBondContact OD2-NH2 3.23Å; D25-N282 PolarHBondContact OD2-ND2 2.73Å; D25-K376 IonicContact OD1-NZ 3.98Å; D25-K376 PolarHBondContact OD1-NZ 2.92Å
26	W	95.1	Very high	96.1	Very high	157 Å²	157	64.4 Å²	64.4	60%	0.595	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-12.3	-171.8	-54.8	93.1	0	0	0	113.9	L22 E30 V286	L22-W26 HydrophobicContact CD2-CG 4.5Å; L22-W26 CarbonylContact O-C 3.56Å; L22-W26 WeakPolarHBondContact O-CA 3.23Å; L22-W26 WeakPolarHBondContact O-CB 3.48Å; L22-W26 PolarHBondContact O-N 3.38Å; W26-E30 HydrophobicContact CB-CB 4.38Å; W26-E30 HydrophobicContact CB-CG 4.45Å; W26-V286 HydrophobicContact CZ2-CG2 4.39Å
27	G	95.2	Very high	96.5	Very high	29 Å²	29	66.8 Å²	66.8	30%	0.299	34%	0.336	S	S	.	.			trans	105.3	172.4	173.5	0	0	0	0	0	114.8	L22 L23 L29 A31	L22-G27 PolarHBondContact O-N 3.05Å; L23-G27 WeakPolarHBondContact O-CA 3.45Å; L23-G27 PolarHBondContact O-N 3.27Å; G27-L29 PolarHBondContact O-N 2.96Å; G27-A31 PolarHBondContact O-N 2.94Å
28	Q	97.3	Very high	96.6	Very high	157 Å²	157	69.3 Å²	69.3	73%	0.734	35%	0.349	S	S	*	.	H	α-helix	trans	-65.7	-39.6	-171.9	-68	169.7	7.7	0	0	113.2	L23 E30 A31 A32	L23-Q28 HydrophobicContact CD1-CB 4.1Å; L23-Q28 HydrophobicContact CD1-CG 3.37Å; Q28-E30 PolarHBondContact O-N 3.45Å; Q28-A31 PolarHBondContact O-N 2.66Å; Q28-A32 PolarHBondContact O-N 2.9Å
29	L	97.8	Very high	96.7	Very high	121 Å²	121	69.3 Å²	69.3	63%	0.634	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-42.8	-176	-175.5	63	0	0	0	112	G27 A32 N33	G27-L29 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 2.9Å; L29-N33 WeakPolarHBondContact O-CB 3.46Å; L29-N33 VanDerWaalsContact O-CG 3.24Å; L29-N33 PolarHBondContact O-N 3.32Å; L29-N33 PolarHBondContact O-ND2 3.12Å
30	E	97.4	Very high	96.8	Very high	85 Å²	85	77.4 Å²	77.4	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-39.6	179.4	-67.2	-52.9	141.8	0	0	112.2	W26 Q28 A32 N33 A34	W26-E30 HydrophobicContact CB-CB 4.38Å; W26-E30 HydrophobicContact CB-CG 4.45Å; Q28-E30 PolarHBondContact O-N 3.45Å; E30-A32 PolarHBondContact O-N 2.93Å; E30-N33 PolarHBondContact O-N 2.88Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.3Å
31	A	97.1	Very high	96.9	Very high	6 Å²	6	81.2 Å²	81.2	5%	0.05	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-45.6	173.3	0	0	0	0	0	111.4	L22 L23 G27 Q28 A34 M35	L22-A31 HydrophobicContact CB-CB 4.08Å; L23-A31 HydrophobicContact CB-CB 4.14Å; G27-A31 PolarHBondContact O-N 2.94Å; Q28-A31 PolarHBondContact O-N 2.66Å; A31-A34 PolarHBondContact O-N 2.88Å; A31-M35 WeakPolarHBondContact O-CG 3.18Å; A31-M35 PolarHBondContact O-N 3.17Å
32	A	97.8	Very high	97	Very high	48 Å²	48	81 Å²	81	40%	0.397	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-42	177.9	0	0	0	0	0	112.6	Q28 L29 E30 M35 S36	Q28-A32 PolarHBondContact O-N 2.9Å; L29-A32 PolarHBondContact O-N 2.9Å; E30-A32 PolarHBondContact O-N 2.93Å; A32-M35 PolarHBondContact O-N 3.27Å; A32-S36 PolarHBondContact O-N 3Å; A32-S36 PolarHBondContact O-OG 3.45Å
33	N	98.1	Very high	97.1	Very high	53 Å²	53	82.6 Å²	82.6	28%	0.283	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-42.1	175.7	-73.8	-24.1	0	0	0	112	L29 E30 S36 R37	L29-N33 WeakPolarHBondContact O-CB 3.46Å; L29-N33 VanDerWaalsContact O-CG 3.24Å; L29-N33 PolarHBondContact O-N 3.32Å; L29-N33 PolarHBondContact O-ND2 3.12Å; E30-N33 PolarHBondContact O-N 2.88Å; N33-S36 PolarHBondContact O-N 3.22Å; N33-S36 PolarHBondContact O-OG 3.02Å; N33-R37 WeakPolarHBondContact O-CD 3.26Å; N33-R37 VanDerWaalsContact O-CG 3.23Å; N33-R37 WeakPolarHBondContact O-CG 3.32Å; N33-R37 PolarHBondContact O-N 3.29Å; N33-R37 VanDerWaalsContact O-N 3.09Å
34	A	97.9	Very high	97.2	Very high	22 Å²	22	83.8 Å²	83.8	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-64.3	-42.8	176.7	0	0	0	0	0	112.1	F19 L22 E30 A31 R37 L38	F19-A34 HydrophobicContact CD1-CB 4.12Å; F19-A34 HydrophobicContact CE1-CB 3.94Å; L22-A34 HydrophobicContact CD1-CB 3.58Å; E30-A34 WeakPolarHBondContact O-CB 3.49Å; E30-A34 PolarHBondContact O-N 3.3Å; A31-A34 PolarHBondContact O-N 2.88Å; A34-R37 PolarHBondContact O-N 2.66Å; A34-L38 PolarHBondContact O-N 3.4Å
35	M	97.4	Very high	97.4	Very high	93 Å²	93	88 Å²	88	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-62	-44.4	176.6	-73.2	-173.2	-74.3	0	0	112	F19 A31 A32 R37 L38 A39	F19-M35 HydrophobicContact CB-CG 4.42Å; F19-M35 HydrophobicContact CD1-CG 3.46Å; F19-M35 VanDerWaalsContact CD1-CG 3.46Å; F19-M35 HydrophobicContact CD2-CG 4.01Å; F19-M35 HydrophobicContact CD2-SD 4.47Å; F19-M35 HydrophobicContact CE1-CB 4.34Å; F19-M35 HydrophobicContact CE1-CG 3.56Å; F19-M35 HydrophobicContact CE2-CG 4.09Å; F19-M35 HydrophobicContact CG-CG 3.7Å; F19-M35 HydrophobicContact CG-SD 4.28Å; F19-M35 HydrophobicContact CZ-CG 3.87Å; A31-M35 WeakPolarHBondContact O-CG 3.18Å; A31-M35 PolarHBondContact O-N 3.17Å; A32-M35 PolarHBondContact O-N 3.27Å; M35-R37 VanDerWaalsContact C-N 3.35Å; M35-R37 PolarHBondContact O-N 3.4Å; M35-L38 PolarHBondContact O-N 2.65Å; M35-A39 WeakPolarHBondContact O-CB 3.23Å; M35-A39 PolarHBondContact O-N 3.2Å
36	S	98.1	Very high	97.5	Very high	68 Å²	68	90.2 Å²	90.2	48%	0.476	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-37	179.4	69.8	0	0	0	0	112.7	A32 N33 A39 R40	A32-S36 PolarHBondContact O-N 3Å; A32-S36 PolarHBondContact O-OG 3.45Å; N33-S36 PolarHBondContact O-N 3.22Å; N33-S36 PolarHBondContact O-OG 3.02Å; S36-A39 PolarHBondContact O-N 2.62Å; S36-R40 PolarHBondContact O-N 3.24Å; S36-R40 VanDerWaalsContact O-N 3.09Å
37	R	98.2	Very high	97.6	Very high	159 Å²	159	86.8 Å²	86.8	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-63.1	-46.2	173.4	-71.2	168.3	-172.4	158.4	4.5	111.5	N33 A34 M35 A39 R40 L41	N33-R37 WeakPolarHBondContact O-CD 3.26Å; N33-R37 VanDerWaalsContact O-CG 3.23Å; N33-R37 WeakPolarHBondContact O-CG 3.32Å; N33-R37 PolarHBondContact O-N 3.29Å; N33-R37 VanDerWaalsContact O-N 3.09Å; A34-R37 PolarHBondContact O-N 2.66Å; M35-R37 VanDerWaalsContact C-N 3.35Å; M35-R37 PolarHBondContact O-N 3.4Å; R37-A39 PolarHBondContact O-N 3.31Å; R37-R40 PolarHBondContact O-N 3.42Å; R37-R40 VanDerWaalsContact O-N 3.16Å; R37-L41 WeakPolarHBondContact O-CB 3.43Å; R37-L41 PolarHBondContact O-N 3.47Å
38	L	97.4	Very high	97.7	Very high	66 Å²	66	91.7 Å²	91.7	35%	0.346	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177.3	-179	63.5	0	0	0	111.3	L10 F19 A34 M35 R40 L41 A42	L10-L38 HydrophobicContact CD1-CD2 4.05Å; L10-L38 HydrophobicContact CD2-CD2 4.26Å; F19-L38 HydrophobicContact CE2-CD2 4.26Å; F19-L38 HydrophobicContact CZ-CD2 3.71Å; A34-L38 PolarHBondContact O-N 3.4Å; M35-L38 PolarHBondContact O-N 2.65Å; L38-R40 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 3.47Å; L38-A42 HydrophobicContact CD1-CB 4.3Å; L38-A42 WeakPolarHBondContact O-CB 3.07Å; L38-A42 PolarHBondContact O-N 3.35Å
39	A	97.7	Very high	97.7	Very high	70 Å²	70	91.1 Å²	91.1	58%	0.579	48%	0.478	S	S	*	.	H	α-helix	trans	-62.2	-23.4	177.3	0	0	0	0	0	113.1	M35 S36 R37 P43	M35-A39 WeakPolarHBondContact O-CB 3.23Å; M35-A39 PolarHBondContact O-N 3.2Å; S36-A39 PolarHBondContact O-N 2.62Å; R37-A39 PolarHBondContact O-N 3.31Å; A39-P43 WeakPolarHBondContact O-CD 3.37Å; A39-P43 WeakPolarHBondContact O-CG 3.44Å
40	R	97.6	Very high	97.6	Very high	199 Å²	199	87.2 Å²	87.2	75%	0.751	47%	0.468	S	S	*	.	H	α-helix	trans	-86	-41.4	173.8	-168.6	68.6	63.9	175.5	2	112.7	S36 R37 L38 V44	S36-R40 PolarHBondContact O-N 3.24Å; S36-R40 VanDerWaalsContact O-N 3.09Å; R37-R40 PolarHBondContact O-N 3.42Å; R37-R40 VanDerWaalsContact O-N 3.16Å; L38-R40 PolarHBondContact O-N 2.83Å; R40-V44 WeakPolarHBondContact O-CG2 3.31Å
41	L	98.2	Very high	97.6	Very high	118 Å²	118	86.8 Å²	86.8	62%	0.618	46%	0.464	S	S	*	.	H	α-helix	trans	-74.8	-47.5	-174.7	-174.1	157.7	0	0	0	112.1	R37 L38 V44 Y45	R37-L41 WeakPolarHBondContact O-CB 3.43Å; R37-L41 PolarHBondContact O-N 3.47Å; L38-L41 PolarHBondContact O-N 3.47Å; L41-V44 PolarHBondContact O-N 3.19Å; L41-Y45 PolarHBondContact O-N 3.49Å; L41-Y45 VanDerWaalsContact O-N 3.07Å
42	A	97.2	Very high	97.5	Very high	44 Å²	44	90.9 Å²	90.9	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-42.5	-172.9	0	0	0	0	0	113.2	L38 V44 Y45 L46	L38-A42 HydrophobicContact CD1-CB 4.3Å; L38-A42 WeakPolarHBondContact O-CB 3.07Å; L38-A42 PolarHBondContact O-N 3.35Å; A42-V44 PolarHBondContact O-N 3.04Å; A42-Y45 PolarHBondContact O-N 2.99Å; A42-L46 VanDerWaalsContact O-CB 3.27Å; A42-L46 WeakPolarHBondContact O-CB 3.4Å; A42-L46 PolarHBondContact O-N 3.44Å
43	P	98.1	Very high	97.5	Very high	75 Å²	75	93.4 Å²	93.4	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-61.7	-43	175.8	-25.7	36.8	0	0	0	113.3	A39 Y45 L46 S47	A39-P43 WeakPolarHBondContact O-CD 3.37Å; A39-P43 WeakPolarHBondContact O-CG 3.44Å; P43-Y45 VanDerWaalsContact C-N 3.34Å; P43-Y45 PolarHBondContact O-N 2.86Å; P43-L46 PolarHBondContact O-N 3.38Å; P43-S47 WeakPolarHBondContact O-CB 3.5Å; P43-S47 PolarHBondContact O-N 3.28Å; P43-S47 PolarHBondContact O-OG 3.3Å
44	V	98.3	Very high	97.4	Very high	87 Å²	87	92.7 Å²	92.7	53%	0.527	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-41.5	179.8	176.5	0	0	0	0	111	R40 L41 A42 S47 N48	R40-V44 WeakPolarHBondContact O-CG2 3.31Å; L41-V44 PolarHBondContact O-N 3.19Å; A42-V44 PolarHBondContact O-N 3.04Å; V44-S47 PolarHBondContact O-OG 2.93Å; V44-S47 VanDerWaalsContact O-OG 3.14Å; V44-N48 WeakPolarHBondContact O-CB 3.32Å; V44-N48 PolarHBondContact O-N 2.88Å; V44-N48 PolarHBondContact O-OD1 2.89Å; V44-N48 VanDerWaalsContact O-OD1 3.11Å
45	Y	98.1	Very high	97.3	Very high	149 Å²	149	97.6 Å²	97.6	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-47.9	175.7	-180	-100.2	0	0	0	111.7	L41 A42 P43 N48 R49	L41-Y45 PolarHBondContact O-N 3.49Å; L41-Y45 VanDerWaalsContact O-N 3.07Å; A42-Y45 PolarHBondContact O-N 2.99Å; P43-Y45 VanDerWaalsContact C-N 3.34Å; P43-Y45 PolarHBondContact O-N 2.86Å; Y45-N48 PolarHBondContact O-N 3.22Å; Y45-R49 WeakPolarHBondContact O-CB 3.27Å; Y45-R49 PolarHBondContact O-N 3.31Å
46	L	97.5	Very high	97.1	Very high	89 Å²	89	95.8 Å²	95.8	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-67.6	-38.8	-175.2	-168.6	65	0	0	0	112.1	A42 P43 N48 G50 F51	A42-L46 VanDerWaalsContact O-CB 3.27Å; A42-L46 WeakPolarHBondContact O-CB 3.4Å; A42-L46 PolarHBondContact O-N 3.44Å; P43-L46 PolarHBondContact O-N 3.38Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-G50 PolarHBondContact O-N 2.73Å; L46-F51 HydrophobicContact CD1-CB 3.69Å; L46-F51 HydrophobicContact CD1-CG 4.3Å; L46-F51 HydrophobicContact CG-CB 4.35Å
47	S	97.7	Very high	97	Very high	84 Å²	84	94.3 Å²	94.3	59%	0.587	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-37.6	176.4	61	0	0	0	0	112.4	P43 V44	P43-S47 WeakPolarHBondContact O-CB 3.5Å; P43-S47 PolarHBondContact O-N 3.28Å; P43-S47 PolarHBondContact O-OG 3.3Å; V44-S47 PolarHBondContact O-OG 2.93Å; V44-S47 VanDerWaalsContact O-OG 3.14Å
48	N	97.9	Very high	96.8	Very high	133 Å²	133	87.7 Å²	87.7	71%	0.711	50%	0.495	S	S	*	.	H	α-helix	trans	-83.3	-30.6	-176.3	-68.6	27.4	0	0	0	112.5	V44 Y45 L46	V44-N48 WeakPolarHBondContact O-CB 3.32Å; V44-N48 PolarHBondContact O-N 2.88Å; V44-N48 PolarHBondContact O-OD1 2.89Å; V44-N48 VanDerWaalsContact O-OD1 3.11Å; Y45-N48 PolarHBondContact O-N 3.22Å; L46-N48 VanDerWaalsContact C-N 3.34Å
49	R	96.9	Very high	96.7	Very high	144 Å²	144	87.1 Å²	87.1	54%	0.543	49%	0.494	S	S	.	.	H	α-helix	trans	-72.2	-37.8	172.1	-176.4	-179.8	178.6	-84	4	111.6	Y45	Y45-R49 WeakPolarHBondContact O-CB 3.27Å; Y45-R49 PolarHBondContact O-N 3.31Å
50	G	95.9	Very high	96.6	Very high	40 Å²	40	84.8 Å²	84.8	41%	0.412	47%	0.473	S	S	.	.			trans	77.7	135.3	-167	0	0	0	0	0	111.6	L46	L46-G50 PolarHBondContact O-N 2.73Å
51	F	96.8	Very high	96.4	Very high	75 Å²	75	76.5 Å²	76.5	33%	0.329	45%	0.45	S	S	.	.			trans	-143.4	116.6	171.7	-173.1	-96.7	0	0	0	107.7	L46 I134 M135	L46-F51 HydrophobicContact CD1-CB 3.69Å; L46-F51 HydrophobicContact CD1-CG 4.3Å; L46-F51 HydrophobicContact CG-CB 4.35Å; F51-I134 HydrophobicContact CE2-CB 4.46Å; F51-I134 HydrophobicContact CE2-CD1 4.35Å; F51-I134 HydrophobicContact CE2-CG2 4.29Å; F51-M135 HydrophobicContact CE1-CG 3.95Å; F51-M135 HydrophobicContact CE1-SD 3.85Å; F51-M135 HydrophobicContact CZ-CG 3.81Å; F51-M135 HydrophobicContact CZ-SD 4.19Å
52	S	95.9	Very high	96.1	Very high	93 Å²	93	76.2 Å²	76.2	65%	0.65	45%	0.453	S	S	*	.			trans	-136.5	152	-174	-171.1	0	0	0	0	109.8	S131	S52-S131 WeakPolarHBondContact O-CB 3.17Å; S52-S131 PolarHBondContact O-OG 3.24Å
53	I	96.3	Very high	95.8	Very high	101 Å²	101	75.9 Å²	75.9	52%	0.518	45%	0.454	S	S	.	.			trans	-116.4	132.5	172.2	-174.7	178.7	0	0	0	108.1	D57 P132	I53-D57 WeakPolarHBondContact CA-OD2 3.43Å; I53-D57 HydrophobicContact CG1-CB 4.36Å; I53-P132 HydrophobicContact CD1-CG 3.66Å; I53-P132 HydrophobicContact CG1-CG 4.12Å
54	G	95.6	Very high	95.6	Very high	38 Å²	38	72.5 Å²	72.5	39%	0.392	43%	0.432	S	S	.	.			trans	-125.8	175.4	178.2	0	0	0	0	0	112.7	G56 D57	G54-G56 PolarHBondContact O-N 3.49Å; G54-D57 PolarHBondContact N-OD2 2.89Å; G54-D57 WeakPolarHBondContact O-CB 3.4Å; G54-D57 PolarHBondContact O-N 3.38Å
55	I	96	Very high	95.3	Very high	124 Å²	124	72.6 Å²	72.6	64%	0.636	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-64.3	-27.3	174.6	-166.5	62	0	0	0	112.4	D57 V58 T59 Y194	I55-D57 VanDerWaalsContact C-N 3.25Å; I55-D57 PolarHBondContact O-N 3.02Å; I55-V58 HydrophobicContact CD1-CG2 3.92Å; I55-V58 WeakPolarHBondContact O-CG2 3.45Å; I55-V58 PolarHBondContact O-N 3.49Å; I55-T59 PolarHBondContact O-N 3.36Å; I55-T59 VanDerWaalsContact O-N 3.15Å; I55-T59 PolarHBondContact O-OG1 2.96Å; I55-Y194 HydrophobicContact CD1-CD2 3.91Å; I55-Y194 HydrophobicContact CD1-CE2 3.8Å; I55-Y194 HydrophobicContact CG1-CE2 3.92Å
56	G	94.4	Very high	95.1	Very high	56 Å²	56	72.6 Å²	72.6	58%	0.577	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-63.7	-29	176	0	0	0	0	0	113.5	G54 V58	G54-G56 PolarHBondContact O-N 3.49Å; G56-V58 PolarHBondContact O-N 2.97Å
57	D	94.6	Very high	94.9	Very high	36 Å²	36	69.9 Å²	69.9	19%	0.193	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-71.9	-20	-179.3	-67.9	-35.1	0	0	0	113.1	I53 G54 I55 N130 P132	I53-D57 WeakPolarHBondContact CA-OD2 3.43Å; I53-D57 HydrophobicContact CG1-CB 4.36Å; G54-D57 PolarHBondContact N-OD2 2.89Å; G54-D57 WeakPolarHBondContact O-CB 3.4Å; G54-D57 PolarHBondContact O-N 3.38Å; I55-D57 VanDerWaalsContact C-N 3.25Å; I55-D57 PolarHBondContact O-N 3.02Å; D57-N130 WeakPolarHBondContact CB-OD1 3.35Å; D57-N130 VanDerWaalsContact CG-OD1 3.27Å; D57-N130 PolarHBondContact O-ND2 3.44Å; D57-N130 PolarHBondContact OD1-OD1 3.35Å; D57-N130 VanDerWaalsContact OD1-OD1 3.13Å; D57-P132 HydrophobicContact CB-CG 4.24Å
58	V	95.4	Very high	94.7	Very high	21 Å²	21	67 Å²	67	13%	0.127	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-116.8	2.8	-178	-63.3	0	0	0	0	113.4	I55 G56 M150 I151 Y194	I55-V58 HydrophobicContact CD1-CG2 3.92Å; I55-V58 WeakPolarHBondContact O-CG2 3.45Å; I55-V58 PolarHBondContact O-N 3.49Å; G56-V58 PolarHBondContact O-N 2.97Å; V58-M150 HydrophobicContact CG1-CB 4.5Å; V58-I151 HydrophobicContact CB-CG1 4.08Å; V58-I151 HydrophobicContact CG1-CG1 4.37Å; V58-Y194 HydrophobicContact CG2-CD2 4.13Å; V58-Y194 WeakPolarHBondContact O-CD2 3.49Å
59	T	95	Very high	94.5	Very high	54 Å²	54	65.3 Å²	65.3	33%	0.331	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-72.9	124.1	174.9	-61.4	0	0	0	0	109.5	I55 Y194	I55-T59 PolarHBondContact O-N 3.36Å; I55-T59 VanDerWaalsContact O-N 3.15Å; I55-T59 PolarHBondContact O-OG1 2.96Å; T59-Y194 HydrophobicContact CG2-CE1 4.44Å; T59-Y194 HydrophobicContact CG2-CE2 4.31Å; T59-Y194 WeakPolarHBondContact CG2-OH 3.29Å; T59-Y194 VanDerWaalsContact OG1-CE2 3.26Å; T59-Y194 WeakPolarHBondContact OG1-CE2 3.36Å; T59-Y194 PolarHBondContact OG1-OH 2.68Å
60	P	94.9	Very high	94.4	Very high	20 Å²	20	63.7 Å²	63.7	13%	0.13	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-69.5	134.5	176.4	28.7	-33.7	0	0	0	110.8	L64 L65 I151 Y194	P60-L64 HydrophobicContact CB-CD2 3.89Å; P60-L65 HydrophobicContact CB-CD2 4.16Å; P60-L65 HydrophobicContact CB-CG 4.28Å; P60-L65 HydrophobicContact CG-CD2 4.01Å; P60-L65 HydrophobicContact CG-CG 4.38Å; P60-I151 HydrophobicContact CB-CG2 3.93Å; P60-Y194 HydrophobicContact CG-CD1 4.01Å; P60-Y194 HydrophobicContact CG-CE1 4.24Å
61	G	93.1	Very high	94.3	Very high	26 Å²	26	63.5 Å²	63.5	27%	0.268	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-72.1	162.9	173	0	0	0	0	0	112.5	G63 L64 L65 E125	G61-G63 PolarHBondContact O-N 3.41Å; G61-L64 PolarHBondContact O-N 3.22Å; G61-L65 PolarHBondContact O-N 3.48Å; G61-L65 VanDerWaalsContact O-N 3.11Å; G61-E125 VanDerWaalsContact CA-OE1 3.28Å; G61-E125 WeakPolarHBondContact CA-OE1 3.38Å
62	T	92.1	Very high	94.1	Very high	111 Å²	111	60.4 Å²	60.4	68%	0.681	37%	0.366	S	S	*	.	H	α-helix	trans	-67	-25.7	-178.6	61.8	0	0	0	0	112.8	K66	T62-K66 PolarHBondContact O-N 3.27Å
63	G	92.3	Very high	94	Very high	38 Å²	38	59.9 Å²	59.9	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-48.4	174.3	0	0	0	0	0	111.3	G61 L65 K66 A67 E125	G61-G63 PolarHBondContact O-N 3.41Å; G63-L65 PolarHBondContact O-N 3.47Å; G63-K66 PolarHBondContact O-N 3.41Å; G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 3.21Å; G63-E125 PolarHBondContact N-OE1 3.33Å
64	L	92.7	Very high	94	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-42.9	175.8	178.3	61.4	0	0	0	112.6	P60 G61 K66 A67 K68 A121 C122 E125 I151 A152	P60-L64 HydrophobicContact CB-CD2 3.89Å; G61-L64 PolarHBondContact O-N 3.22Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 2.57Å; L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 PolarHBondContact O-N 2.69Å; L64-A121 HydrophobicContact CD1-CB 3.99Å; L64-C122 HydrophobicContact CD1-CB 4Å; L64-C122 HydrophobicContact CD2-CB 3.77Å; L64-E125 WeakPolarHBondContact CA-OE2 3.37Å; L64-E125 WeakPolarHBondContact CB-OE2 3.44Å; L64-E125 PolarHBondContact N-OE2 3.04Å; L64-I151 HydrophobicContact CD2-CG2 3.72Å; L64-A152 HydrophobicContact CD1-CB 4.24Å; L64-A152 HydrophobicContact CD2-CB 4.17Å
65	L	93.1	Very high	93.9	Very high	88 Å²	88	55.6 Å²	55.6	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-42.9	-179.6	-71.9	173.6	0	0	0	112.1	P60 G61 G63 Q69	P60-L65 HydrophobicContact CB-CD2 4.16Å; P60-L65 HydrophobicContact CB-CG 4.28Å; P60-L65 HydrophobicContact CG-CD2 4.01Å; P60-L65 HydrophobicContact CG-CG 4.38Å; G61-L65 PolarHBondContact O-N 3.48Å; G61-L65 VanDerWaalsContact O-N 3.11Å; G63-L65 PolarHBondContact O-N 3.47Å; L65-Q69 PolarHBondContact O-N 3.18Å; L65-Q69 VanDerWaalsContact O-N 3.09Å
66	K	93.4	Very high	93.8	Very high	149 Å²	149	52.3 Å²	52.3	65%	0.648	31%	0.305	S	S	*	.	H	α-helix	trans	-64.6	-50.7	175.3	-70	177.5	180	178.8	0	111.3	T62 G63 L64 K68 Q69 D70	T62-K66 PolarHBondContact O-N 3.27Å; G63-K66 PolarHBondContact O-N 3.41Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-K66 PolarHBondContact O-N 3.39Å; K66-K68 VanDerWaalsContact C-N 3.27Å; K66-K68 PolarHBondContact O-N 3.31Å; K66-Q69 PolarHBondContact O-N 3.3Å; K66-Q69 VanDerWaalsContact O-N 3.16Å; K66-D70 PolarHBondContact O-N 3.13Å
67	A	93.1	Very high	93.9	Very high	32 Å²	32	56.5 Å²	56.5	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-37.1	179.3	0	0	0	0	0	112.5	G63 L64 L71	G63-A67 WeakPolarHBondContact O-CB 3.41Å; G63-A67 PolarHBondContact O-N 3.21Å; L64-A67 PolarHBondContact O-N 2.57Å; A67-L71 WeakPolarHBondContact O-CB 3.25Å; A67-L71 WeakPolarHBondContact O-CD1 3.48Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.37Å; A67-L71 VanDerWaalsContact O-N 3.07Å
68	K	93.9	Very high	93.9	Very high	23 Å²	23	57.4 Å²	57.4	10%	0.1	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-48.6	175.4	175.9	-174.5	173.8	172.7	0	110.7	L64 K66 L71 L72 A152 A190	L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 PolarHBondContact O-N 2.69Å; K66-K68 VanDerWaalsContact C-N 3.27Å; K66-K68 PolarHBondContact O-N 3.31Å; K68-L71 PolarHBondContact O-N 3.26Å; K68-L72 HydrophobicContact CG-CD1 3.94Å; K68-L72 HydrophobicContact CG-CG 4.46Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 2.95Å; K68-A152 WeakPolarHBondContact CD-O 3.39Å; K68-A152 VanDerWaalsContact CE-O 3.25Å; K68-A152 WeakPolarHBondContact CE-O 3.33Å; K68-A152 PolarHBondContact NZ-O 2.93Å; K68-A190 WeakPolarHBondContact CE-O 3.49Å; K68-A190 PolarHBondContact NZ-O 3.17Å
69	Q	93.2	Very high	93.8	Very high	98 Å²	98	56.4 Å²	56.4	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-46.9	-179	-168.1	61	37.2	0	0	111.1	L65 K66 L71 L72 D73	L65-Q69 PolarHBondContact O-N 3.18Å; L65-Q69 VanDerWaalsContact O-N 3.09Å; K66-Q69 PolarHBondContact O-N 3.3Å; K66-Q69 VanDerWaalsContact O-N 3.16Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.4Å; Q69-L72 PolarHBondContact O-N 3.34Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; Q69-D73 PolarHBondContact NE2-OD1 3.01Å; Q69-D73 PolarHBondContact NE2-OD2 2.86Å; Q69-D73 VanDerWaalsContact O-CG 3.29Å; Q69-D73 PolarHBondContact O-N 3Å
70	D	94.3	Very high	93.8	Very high	111 Å²	111	57.4 Å²	57.4	59%	0.594	30%	0.303	S	S	*	.	H	α-helix	trans	-59	-39.3	177.5	-63.6	-23	0	0	0	112.1	K66 D74	K66-D70 PolarHBondContact O-N 3.13Å; D70-D74 WeakPolarHBondContact O-CB 3.38Å; D70-D74 PolarHBondContact O-N 2.99Å; D70-D74 VanDerWaalsContact O-N 3.09Å
71	L	93.9	Very high	93.8	Very high	35 Å²	35	61.3 Å²	61.3	18%	0.183	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-38.3	177.5	-74.4	171	0	0	0	112.8	A67 K68 Q69 G75 R117 A118	A67-L71 WeakPolarHBondContact O-CB 3.25Å; A67-L71 WeakPolarHBondContact O-CD1 3.48Å; A67-L71 WeakPolarHBondContact O-CG 3.43Å; A67-L71 PolarHBondContact O-N 3.37Å; A67-L71 VanDerWaalsContact O-N 3.07Å; K68-L71 PolarHBondContact O-N 3.26Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.4Å; L71-G75 PolarHBondContact O-N 3.46Å; L71-R117 HydrophobicContact CD1-CB 3.81Å; L71-R117 HydrophobicContact CD2-CB 4.11Å; L71-A118 HydrophobicContact CD1-CB 4.31Å
72	L	93.4	Very high	93.8	Very high	10 Å²	10	63 Å²	63	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-46.5	177	-74.9	171.1	0	0	0	110.7	K68 Q69 G75 Y76 I114 F188 A190	K68-L72 HydrophobicContact CG-CD1 3.94Å; K68-L72 HydrophobicContact CG-CG 4.46Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 2.95Å; Q69-L72 PolarHBondContact O-N 3.34Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; L72-G75 PolarHBondContact O-N 3.01Å; L72-Y76 HydrophobicContact CD2-CE1 4.32Å; L72-Y76 WeakPolarHBondContact O-CB 3.11Å; L72-Y76 VanDerWaalsContact O-CG 3.3Å; L72-Y76 PolarHBondContact O-N 3.23Å; L72-I114 HydrophobicContact CD2-CG2 3.91Å; L72-F188 HydrophobicContact CD2-CE1 3.79Å; L72-F188 HydrophobicContact CD2-CZ 4.25Å; L72-A190 HydrophobicContact CD1-CB 4.2Å; L72-A190 HydrophobicContact CD2-CB 4.19Å
73	D	94.2	Very high	93.9	Very high	83 Å²	83	58.7 Å²	58.7	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-42.7	-178.9	-65.3	-19.9	0	0	0	111.1	Q69 R77	Q69-D73 PolarHBondContact NE2-OD1 3.01Å; Q69-D73 PolarHBondContact NE2-OD2 2.86Å; Q69-D73 VanDerWaalsContact O-CG 3.29Å; Q69-D73 PolarHBondContact O-N 3Å; D73-R77 VanDerWaalsContact O-CB 3.3Å; D73-R77 WeakPolarHBondContact O-CB 3.39Å; D73-R77 PolarHBondContact O-N 2.96Å; D73-R77 VanDerWaalsContact O-N 3.09Å
74	D	94.6	Very high	93.9	Very high	45 Å²	45	62.8 Å²	62.8	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.8	-173.7	52.8	0	0	0	112.4	D70 R77 K78	D70-D74 WeakPolarHBondContact O-CB 3.38Å; D70-D74 PolarHBondContact O-N 2.99Å; D70-D74 VanDerWaalsContact O-N 3.09Å; D74-R77 IonicContact OD1-CZ 3.64Å; D74-R77 IonicContact OD1-NE 3.24Å; D74-R77 IonicContact OD1-NH2 3.74Å; D74-R77 PolarHBondContact OD1-NH2 2.81Å; D74-K78 WeakPolarHBondContact O-CG 3.19Å; D74-K78 PolarHBondContact O-N 3.4Å; D74-K78 IonicContact OD1-NZ 3.93Å; D74-K78 WeakPolarHBondContact OD2-CE 3.37Å; D74-K78 IonicContact OD2-NZ 3.96Å; D74-K78 PolarHBondContact OD2-NZ 3.34Å
75	G	93.9	Very high	94	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-41.8	-179.4	0	0	0	0	0	113.3	L71 L72 K78 C79	L71-G75 PolarHBondContact O-N 3.46Å; L72-G75 PolarHBondContact O-N 3.01Å; G75-K78 PolarHBondContact O-N 3.36Å; G75-C79 PolarHBondContact O-N 3.46Å; G75-C79 VanDerWaalsContact O-N 3.08Å; G75-C79 PolarHBondContact O-SG 2.94Å
76	Y	94.7	Very high	93.9	Very high	56 Å²	56	61.4 Å²	61.4	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-67.7	-42.8	177	-72.3	-5.3	0	0	0	111.7	L72 K78 C79 D80 L111 P183 F188	L72-Y76 HydrophobicContact CD2-CE1 4.32Å; L72-Y76 WeakPolarHBondContact O-CB 3.11Å; L72-Y76 VanDerWaalsContact O-CG 3.3Å; L72-Y76 PolarHBondContact O-N 3.23Å; Y76-K78 VanDerWaalsContact C-N 3.29Å; Y76-K78 PolarHBondContact O-N 3.42Å; Y76-C79 WeakPolarHBondContact O-CB 3.5Å; Y76-C79 PolarHBondContact O-N 2.95Å; Y76-D80 PolarHBondContact O-N 2.8Å; Y76-L111 HydrophobicContact CE1-CD2 4.38Å; Y76-P183 HydrophobicContact CD1-CB 4.2Å; Y76-P183 HydrophobicContact CD1-CG 3.86Å; Y76-P183 HydrophobicContact CE1-CB 3.76Å; Y76-P183 HydrophobicContact CE1-CG 3.96Å; Y76-F188 AromaticContact CE1-CD1 3.93Å; Y76-F188 HydrophobicContact CE1-CD1 3.93Å; Y76-F188 AromaticContact CE1-CE1 3.94Å; Y76-F188 HydrophobicContact CE1-CE1 3.94Å; Y76-F188 WeakPolarHBondContact OH-CD1 3.45Å; Y76-F188 WeakPolarHBondContact OH-CE1 3.33Å
77	R	95.6	Very high	93.8	Very high	143 Å²	143	61.7 Å²	61.7	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-55.2	-44.7	174.1	179.9	178.7	58.5	173.8	-2.1	112.2	D73 D74 D80 E81	D73-R77 VanDerWaalsContact O-CB 3.3Å; D73-R77 WeakPolarHBondContact O-CB 3.39Å; D73-R77 PolarHBondContact O-N 2.96Å; D73-R77 VanDerWaalsContact O-N 3.09Å; D74-R77 IonicContact OD1-CZ 3.64Å; D74-R77 IonicContact OD1-NE 3.24Å; D74-R77 IonicContact OD1-NH2 3.74Å; D74-R77 PolarHBondContact OD1-NH2 2.81Å; R77-D80 PolarHBondContact O-N 2.82Å; R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3Å
78	K	94.4	Very high	93.7	Very high	56 Å²	56	64 Å²	64	24%	0.243	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-39.9	175.7	-73.8	168.5	178	161.3	0	112.8	D74 G75 Y76 D80 E81 Y82	D74-K78 WeakPolarHBondContact O-CG 3.19Å; D74-K78 PolarHBondContact O-N 3.4Å; D74-K78 IonicContact OD1-NZ 3.93Å; D74-K78 WeakPolarHBondContact OD2-CE 3.37Å; D74-K78 IonicContact OD2-NZ 3.96Å; D74-K78 PolarHBondContact OD2-NZ 3.34Å; G75-K78 PolarHBondContact O-N 3.36Å; Y76-K78 VanDerWaalsContact C-N 3.29Å; Y76-K78 PolarHBondContact O-N 3.42Å; K78-D80 VanDerWaalsContact C-N 3.31Å; K78-E81 PolarHBondContact O-N 2.87Å; K78-Y82 WeakPolarHBondContact O-CD2 3.41Å; K78-Y82 PolarHBondContact O-N 3.12Å; K78-Y82 VanDerWaalsContact O-N 3.1Å
79	C	94.2	Very high	93.4	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-41.8	175.6	-66.3	0	0	0	0	111.1	G75 Y76 Y82 I83 P183	G75-C79 PolarHBondContact O-N 3.46Å; G75-C79 VanDerWaalsContact O-N 3.08Å; G75-C79 PolarHBondContact O-SG 2.94Å; Y76-C79 WeakPolarHBondContact O-CB 3.5Å; Y76-C79 PolarHBondContact O-N 2.95Å; C79-Y82 PolarHBondContact O-N 3.41Å; C79-I83 VanDerWaalsContact O-CG1 3.28Å; C79-I83 WeakPolarHBondContact O-CG1 3.46Å; C79-I83 PolarHBondContact O-N 2.78Å; C79-P183 HydrophobicContact CB-CG 4.02Å
80	D	94.3	Very high	93.3	Very high	74 Å²	74	69.6 Å²	69.6	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-41.1	177.8	-66.3	-26.1	0	0	0	111.5	Y76 R77 K78 Y82 I83 E84 L182	Y76-D80 PolarHBondContact O-N 2.8Å; R77-D80 PolarHBondContact O-N 2.82Å; K78-D80 VanDerWaalsContact C-N 3.31Å; D80-Y82 VanDerWaalsContact C-N 3.31Å; D80-Y82 PolarHBondContact O-N 3.13Å; D80-I83 PolarHBondContact O-N 3.45Å; D80-I83 VanDerWaalsContact O-N 3.16Å; D80-E84 WeakPolarHBondContact O-CB 3.38Å; D80-E84 PolarHBondContact O-N 3.35Å; D80-L182 WeakPolarHBondContact OD1-CD2 3.43Å
81	E	94.6	Very high	93.1	Very high	103 Å²	103	65.3 Å²	65.3	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-57.8	-41.6	172.6	-73.6	170.9	-167.7	0	0	112	R77 K78 A85	R77-E81 WeakPolarHBondContact O-CG 3.42Å; R77-E81 PolarHBondContact O-N 3Å; K78-E81 PolarHBondContact O-N 2.87Å; E81-A85 VanDerWaalsContact O-CB 3.31Å; E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 2.81Å
82	Y	94	Very high	92.8	Very high	61 Å²	61	71.6 Å²	71.6	24%	0.239	36%	0.358	C	S	.	.	H	α-helix	trans	-69.7	-35.7	176.3	-60.6	-38.5	0	0	0	112.9	K78 C79 D80 A85 L86 L106 E110	K78-Y82 WeakPolarHBondContact O-CD2 3.41Å; K78-Y82 PolarHBondContact O-N 3.12Å; K78-Y82 VanDerWaalsContact O-N 3.1Å; C79-Y82 PolarHBondContact O-N 3.41Å; D80-Y82 VanDerWaalsContact C-N 3.31Å; D80-Y82 PolarHBondContact O-N 3.13Å; Y82-A85 PolarHBondContact O-N 3.48Å; Y82-L86 PolarHBondContact O-N 3.37Å; Y82-L106 HydrophobicContact CD1-CD1 4.4Å; Y82-L106 HydrophobicContact CD2-CB 4.09Å; Y82-L106 HydrophobicContact CE2-CB 4.15Å; Y82-L106 HydrophobicContact CG-CD1 4.48Å; Y82-E110 HydrophobicContact CE2-CG 3.95Å
83	I	93.7	Very high	92.4	Very high	21 Å²	21	76.6 Å²	76.6	11%	0.108	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-44	175.7	-68.9	165.9	0	0	0	109.9	C79 D80 L86 Q87 L103 I107 K181 L182	C79-I83 VanDerWaalsContact O-CG1 3.28Å; C79-I83 WeakPolarHBondContact O-CG1 3.46Å; C79-I83 PolarHBondContact O-N 2.78Å; D80-I83 PolarHBondContact O-N 3.45Å; D80-I83 VanDerWaalsContact O-N 3.16Å; I83-L86 PolarHBondContact O-N 3.5Å; I83-Q87 WeakPolarHBondContact O-CG 3.35Å; I83-Q87 PolarHBondContact O-N 2.7Å; I83-L103 HydrophobicContact CG1-CD1 4.43Å; I83-L103 HydrophobicContact CG1-CD2 4.26Å; I83-I107 HydrophobicContact CG1-CD1 4.36Å; I83-K181 HydrophobicContact CD1-CB 4.3Å; I83-K181 HydrophobicContact CG1-CB 4.38Å; I83-L182 HydrophobicContact CD1-CD2 3.96Å
84	E	93.8	Very high	91.7	Very high	123 Å²	123	75.6 Å²	75.6	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-41.1	175.1	-170.9	179.7	-177.2	0	0	111.2	D80 L86 Q87 T88	D80-E84 WeakPolarHBondContact O-CB 3.38Å; D80-E84 PolarHBondContact O-N 3.35Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.02Å; E84-Q87 PolarHBondContact O-N 3.17Å; E84-T88 HydrophobicContact CG-CG2 4.37Å; E84-T88 WeakPolarHBondContact O-CB 3.49Å; E84-T88 WeakPolarHBondContact O-CG2 3.39Å; E84-T88 PolarHBondContact O-N 3.24Å; E84-T88 PolarHBondContact O-OG1 3.4Å
85	A	93.3	Very high	90.6	Very high	23 Å²	23	78.8 Å²	78.8	19%	0.19	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-35.2	174.6	0	0	0	0	0	112.5	E81 Y82 T88 G89 K90 L91	E81-A85 VanDerWaalsContact O-CB 3.31Å; E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 2.81Å; Y82-A85 PolarHBondContact O-N 3.48Å; A85-T88 WeakPolarHBondContact CA-OG1 3.48Å; A85-T88 PolarHBondContact O-OG1 2.98Å; A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 2.84Å; A85-G89 VanDerWaalsContact O-N 3.16Å; A85-K90 PolarHBondContact O-N 3.46Å; A85-L91 HydrophobicContact CB-CB 4.25Å; A85-L91 HydrophobicContact CB-CD1 4.21Å; A85-L91 PolarHBondContact O-N 2.9Å
86	L	92	Very high	89.6	Confident	40 Å²	40	80.5 Å²	80.5	21%	0.209	41%	0.414	C	S	.	.	H	α-helix	trans	-69.6	-46.9	174	-177.5	67.2	0	0	0	111.2	Y82 I83 E84 T88 G89 L91 A99 L103	Y82-L86 PolarHBondContact O-N 3.37Å; I83-L86 PolarHBondContact O-N 3.5Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.02Å; L86-T88 VanDerWaalsContact C-N 3.27Å; L86-T88 PolarHBondContact O-N 3.13Å; L86-G89 PolarHBondContact O-N 3.04Å; L86-L91 HydrophobicContact CB-CD2 4.25Å; L86-L91 HydrophobicContact CD1-CD2 4.03Å; L86-A99 HydrophobicContact CD1-CB 3.65Å; L86-L103 HydrophobicContact CB-CD2 4.29Å; L86-L103 HydrophobicContact CD2-CB 4.37Å; L86-L103 HydrophobicContact CD2-CD2 3.41Å; L86-L103 VanDerWaalsContact CD2-CD2 3.41Å; L86-L103 HydrophobicContact CD2-CG 4.47Å; L86-L103 HydrophobicContact CG-CD2 4.44Å
87	Q	90.1	Very high	88.8	Confident	156 Å²	156	78.6 Å²	78.6	73%	0.729	41%	0.409	S	S	*	.	H	α-helix	trans	-62.3	-36	179.8	-71.8	177.7	-1.7	0	0	112.4	I83 E84 G89	I83-Q87 WeakPolarHBondContact O-CG 3.35Å; I83-Q87 PolarHBondContact O-N 2.7Å; E84-Q87 PolarHBondContact O-N 3.17Å; Q87-G89 VanDerWaalsContact C-N 3.3Å
88	T	91.3	Very high	88.4	Confident	80 Å²	80	74.3 Å²	74.3	49%	0.491	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.3	176.3	58.4	0	0	0	0	113.6	E84 A85 L86 K90	E84-T88 HydrophobicContact CG-CG2 4.37Å; E84-T88 WeakPolarHBondContact O-CB 3.49Å; E84-T88 WeakPolarHBondContact O-CG2 3.39Å; E84-T88 PolarHBondContact O-N 3.24Å; E84-T88 PolarHBondContact O-OG1 3.4Å; A85-T88 WeakPolarHBondContact CA-OG1 3.48Å; A85-T88 PolarHBondContact O-OG1 2.98Å; L86-T88 VanDerWaalsContact C-N 3.27Å; L86-T88 PolarHBondContact O-N 3.13Å; T88-K90 PolarHBondContact O-N 3.27Å
89	G	88.9	Confident	88.1	Confident	66 Å²	66	72.8 Å²	72.8	68%	0.68	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	11.2	179.2	0	0	0	0	0	115.2	A85 L86 Q87	A85-G89 CarbonylContact O-C 3.57Å; A85-G89 PolarHBondContact O-N 2.84Å; A85-G89 VanDerWaalsContact O-N 3.16Å; L86-G89 PolarHBondContact O-N 3.04Å; Q87-G89 VanDerWaalsContact C-N 3.3Å
90	K	90.4	Very high	87.8	Confident	172 Å²	172	78.3 Å²	78.3	75%	0.748	42%	0.424	S	S	*	.			trans	-91.2	-2.6	-178.2	-68.7	-177.5	178.8	175.7	0	114	A85 T88 Q92	A85-K90 PolarHBondContact O-N 3.46Å; T88-K90 PolarHBondContact O-N 3.27Å; K90-Q92 PolarHBondContact O-N 3.02Å
91	L	90.1	Very high	87.5	Confident	22 Å²	22	80 Å²	80	12%	0.115	43%	0.43	C	S	.	.			trans	-64.1	122.4	-178	-173.8	68.2	0	0	0	111.3	A85 L86 Q93 A99 T102 L103 L106	A85-L91 HydrophobicContact CB-CB 4.25Å; A85-L91 HydrophobicContact CB-CD1 4.21Å; A85-L91 PolarHBondContact O-N 2.9Å; L86-L91 HydrophobicContact CB-CD2 4.25Å; L86-L91 HydrophobicContact CD1-CD2 4.03Å; L91-Q93 PolarHBondContact O-N 3.37Å; L91-Q93 VanDerWaalsContact O-N 3.17Å; L91-A99 WeakPolarHBondContact CD2-O 3.38Å; L91-T102 HydrophobicContact CD2-CG2 4.47Å; L91-L103 HydrophobicContact CD2-CB 3.96Å; L91-L106 HydrophobicContact CD1-CD1 4.02Å
92	Q	86.9	Confident	87.1	Confident	166 Å²	166	75.1 Å²	75.1	78%	0.776	41%	0.407	S	S	*	.			trans	-68.7	111.8	174.7	-174.4	66	29.6	0	0	109.8	K90	K90-Q92 PolarHBondContact O-N 3.02Å
93	Q	84.9	Confident	87	Confident	116 Å²	116	72.2 Å²	72.2	54%	0.542	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71	138.5	-179.7	-62.8	-179.3	-0	0	0	111.3	L91 A99	L91-Q93 PolarHBondContact O-N 3.37Å; L91-Q93 VanDerWaalsContact O-N 3.17Å; Q93-A99 HydrophobicContact CG-CB 4.17Å
94	Q	79.6	Confident	86.7	Confident	61 Å²	61	73.2 Å²	73.2	29%	0.285	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-76.6	146.7	170.9	-78.3	178.4	12	0	0	110.4	G96 C97 T102	Q94-G96 PolarHBondContact O-N 3.11Å; Q94-C97 PolarHBondContact O-N 2.85Å; Q94-T102 HydrophobicContact CB-CG2 4.06Å; Q94-T102 HydrophobicContact CG-CG2 3.8Å; Q94-T102 PolarHBondContact N-OG1 2.68Å
95	P	72.6	Confident	86.3	Confident	112 Å²	112	69 Å²	69	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	122.9	-176.8	25.4	-33.6	0	0	0	111.3
96	G	72.1	Confident	86.1	Confident	39 Å²	39	69.2 Å²	69.2	40%	0.402	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	4.6	176.9	0	0	0	0	0	115.4	Q94 S415 R564	Q94-G96 PolarHBondContact O-N 3.11Å; G96-S415 WeakPolarHBondContact O-CB 3.43Å; G96-R564 PolarHBondContact O-NH2 2.81Å
97	C	77.1	Confident	86.1	Confident	17 Å²	17	67.3 Å²	67.3	12%	0.115	37%	0.374	C	S	.	.	S	Bend	trans	-117.6	151.5	175	-59.2	0	0	0	0	110.5	Q94 E101	Q94-C97 PolarHBondContact O-N 2.85Å; C97-E101 HydrophobicContact CB-CB 3.97Å
98	S	87.3	Confident	86	Confident	52 Å²	52	62.7 Å²	62.7	36%	0.364	35%	0.354	S	S	.	.			trans	-67.7	167.2	166.9	64.3	0	0	0	0	111.7	E100 E101 T102	S98-E100 PolarHBondContact O-N 3.34Å; S98-E101 PolarHBondContact N-OE2 3.28Å; S98-E101 PolarHBondContact O-N 3.4Å; S98-E101 WeakPolarHBondContact OG-CB 3.49Å; S98-E101 VanDerWaalsContact OG-CD 3.29Å; S98-E101 VanDerWaalsContact OG-CG 3.24Å; S98-E101 WeakPolarHBondContact OG-CG 3.42Å; S98-E101 PolarHBondContact OG-N 3.09Å; S98-E101 PolarHBondContact OG-OE2 2.85Å; S98-T102 WeakPolarHBondContact O-CB 3.2Å; S98-T102 PolarHBondContact O-N 3.03Å; S98-T102 PolarHBondContact O-OG1 3.24Å
99	A	88.8	Confident	85.8	Confident	24 Å²	24	66.9 Å²	66.9	20%	0.198	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-38.4	174.8	0	0	0	0	0	112.3	L86 L91 Q93 L103	L86-A99 HydrophobicContact CD1-CB 3.65Å; L91-A99 WeakPolarHBondContact CD2-O 3.38Å; Q93-A99 HydrophobicContact CG-CB 4.17Å; A99-L103 PolarHBondContact O-N 3.43Å
100	E	88.4	Confident	85.9	Confident	116 Å²	116	65.1 Å²	65.1	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-71.5	-44.7	179.6	-63.9	-162.4	-161.6	0	0	112.5	S98 T102 L103 E104 K181	S98-E100 PolarHBondContact O-N 3.34Å; E100-T102 VanDerWaalsContact C-N 3.27Å; E100-T102 PolarHBondContact O-N 3.4Å; E100-L103 WeakPolarHBondContact O-CB 3.49Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.15Å; E100-E104 WeakPolarHBondContact O-CG 3.28Å; E100-E104 PolarHBondContact O-N 3.42Å; E100-K181 IonicContact OE2-NZ 2.88Å; E100-K181 PolarHBondContact OE2-NZ 2.77Å
101	E	86.5	Confident	85.9	Confident	111 Å²	111	57 Å²	57	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-37.1	175.4	-72.3	165.3	156.2	0	0	111.5	C97 S98 L103 E104 A105	C97-E101 HydrophobicContact CB-CB 3.97Å; S98-E101 PolarHBondContact N-OE2 3.28Å; S98-E101 PolarHBondContact O-N 3.4Å; S98-E101 WeakPolarHBondContact OG-CB 3.49Å; S98-E101 VanDerWaalsContact OG-CD 3.29Å; S98-E101 VanDerWaalsContact OG-CG 3.24Å; S98-E101 WeakPolarHBondContact OG-CG 3.42Å; S98-E101 PolarHBondContact OG-N 3.09Å; S98-E101 PolarHBondContact OG-OE2 2.85Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.89Å; E101-E104 PolarHBondContact O-N 2.8Å; E101-A105 PolarHBondContact O-N 3.03Å
102	T	88.1	Confident	85.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-44.7	173.5	-60	0	0	0	0	110.8	L91 Q94 S98 E100 A105 L106	L91-T102 HydrophobicContact CD2-CG2 4.47Å; Q94-T102 HydrophobicContact CB-CG2 4.06Å; Q94-T102 HydrophobicContact CG-CG2 3.8Å; Q94-T102 PolarHBondContact N-OG1 2.68Å; S98-T102 WeakPolarHBondContact O-CB 3.2Å; S98-T102 PolarHBondContact O-N 3.03Å; S98-T102 PolarHBondContact O-OG1 3.24Å; E100-T102 VanDerWaalsContact C-N 3.27Å; E100-T102 PolarHBondContact O-N 3.4Å; T102-A105 PolarHBondContact O-N 3.26Å; T102-L106 HydrophobicContact CG2-CD1 4.11Å; T102-L106 HydrophobicContact CG2-CG 4.45Å; T102-L106 WeakPolarHBondContact O-CG 3.36Å; T102-L106 PolarHBondContact O-N 2.97Å
103	L	90.5	Very high	86	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.5	179.2	65.8	0	0	0	111.4	I83 L86 L91 A99 E100 E101 A105 L106 I107 K181	I83-L103 HydrophobicContact CG1-CD1 4.43Å; I83-L103 HydrophobicContact CG1-CD2 4.26Å; L86-L103 HydrophobicContact CB-CD2 4.29Å; L86-L103 HydrophobicContact CD2-CB 4.37Å; L86-L103 HydrophobicContact CD2-CD2 3.41Å; L86-L103 VanDerWaalsContact CD2-CD2 3.41Å; L86-L103 HydrophobicContact CD2-CG 4.47Å; L86-L103 HydrophobicContact CG-CD2 4.44Å; L91-L103 HydrophobicContact CD2-CB 3.96Å; A99-L103 PolarHBondContact O-N 3.43Å; E100-L103 WeakPolarHBondContact O-CB 3.49Å; E100-L103 PolarHBondContact O-N 2.89Å; E100-L103 VanDerWaalsContact O-N 3.15Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.89Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 2.72Å; L103-L106 PolarHBondContact O-N 2.85Å; L103-I107 HydrophobicContact CD1-CD1 3.82Å; L103-I107 HydrophobicContact CD1-CG1 4.05Å; L103-I107 HydrophobicContact CD2-CD1 4.25Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.2Å; L103-K181 HydrophobicContact CD2-CB 4.45Å; L103-K181 HydrophobicContact CD2-CD 3.69Å
104	E	88.4	Confident	86.3	Confident	41 Å²	41	47.1 Å²	47.1	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-42.7	178.7	-68.8	-58.9	139.4	0	0	111.9	E100 E101 I107 L108 R163	E100-E104 WeakPolarHBondContact O-CG 3.28Å; E100-E104 PolarHBondContact O-N 3.42Å; E101-E104 PolarHBondContact O-N 2.8Å; E104-I107 PolarHBondContact O-N 3.06Å; E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 VanDerWaalsContact O-CG 3.32Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 3.13Å; E104-R163 VanDerWaalsContact CD-NH1 3.31Å; E104-R163 IonicContact OE1-NH1 2.73Å; E104-R163 PolarHBondContact OE1-NH1 2.91Å; E104-R163 VanDerWaalsContact OE1-NH1 3.11Å; E104-R163 VanDerWaalsContact OE2-CD 3.23Å; E104-R163 WeakPolarHBondContact OE2-CD 3.46Å; E104-R163 IonicContact OE2-CZ 3.77Å; E104-R163 IonicContact OE2-NE 2.75Å; E104-R163 IonicContact OE2-NH1 2.7Å; E104-R163 PolarHBondContact OE2-NH1 3.33Å
105	A	85.6	Confident	86.7	Confident	34 Å²	34	47.6 Å²	47.6	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177.1	0	0	0	0	0	112.5	E101 T102 L103 R109	E101-A105 PolarHBondContact O-N 3.03Å; T102-A105 PolarHBondContact O-N 3.26Å; L103-A105 VanDerWaalsContact C-N 3.32Å; L103-A105 PolarHBondContact O-N 2.72Å; A105-R109 WeakPolarHBondContact O-CB 3.32Å; A105-R109 PolarHBondContact O-N 3.34Å
106	L	89.3	Confident	87.5	Confident	29 Å²	29	45.9 Å²	45.9	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-46.1	177.2	-70.5	175.1	0	0	0	111.7	Y82 L91 T102 L103 R109 E110	Y82-L106 HydrophobicContact CD1-CD1 4.4Å; Y82-L106 HydrophobicContact CD2-CB 4.09Å; Y82-L106 HydrophobicContact CE2-CB 4.15Å; Y82-L106 HydrophobicContact CG-CD1 4.48Å; L91-L106 HydrophobicContact CD1-CD1 4.02Å; T102-L106 HydrophobicContact CG2-CD1 4.11Å; T102-L106 HydrophobicContact CG2-CG 4.45Å; T102-L106 WeakPolarHBondContact O-CG 3.36Å; T102-L106 PolarHBondContact O-N 2.97Å; L103-L106 PolarHBondContact O-N 2.85Å; L106-R109 WeakPolarHBondContact O-CB 3.26Å; L106-R109 PolarHBondContact O-N 2.9Å; L106-E110 PolarHBondContact O-N 3.5Å; L106-E110 VanDerWaalsContact O-N 3.09Å
107	I	90.9	Very high	88.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-49.7	177.6	-68.9	174.2	0	0	0	110	I83 L103 E104 R109 E110 L111	I83-I107 HydrophobicContact CG1-CD1 4.36Å; L103-I107 HydrophobicContact CD1-CD1 3.82Å; L103-I107 HydrophobicContact CD1-CG1 4.05Å; L103-I107 HydrophobicContact CD2-CD1 4.25Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.31Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.2Å; E104-I107 PolarHBondContact O-N 3.06Å; I107-R109 PolarHBondContact O-N 2.84Å; I107-E110 PolarHBondContact O-N 3.15Å; I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.03Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.5Å; I107-L111 PolarHBondContact O-N 3.33Å
108	L	88	Confident	89	Confident	58 Å²	58	50 Å²	50	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-57.3	-39.3	178.6	-79.6	173.8	0	0	0	112.6	E104 S112 Q156 R163	E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 VanDerWaalsContact O-CG 3.32Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 3.13Å; L108-S112 WeakPolarHBondContact O-CB 3.5Å; L108-S112 PolarHBondContact O-N 3.07Å; L108-Q156 HydrophobicContact CD2-CG 3.81Å; L108-R163 HydrophobicContact CD1-CG 4.5Å; L108-R163 HydrophobicContact CD2-CG 3.6Å; L108-R163 HydrophobicContact CG-CG 4.04Å
109	R	87.7	Confident	89.1	Confident	168 Å²	168	47.8 Å²	47.8	63%	0.634	23%	0.232	S	C	*	.	H	α-helix	trans	-61.1	-51	176	-179.9	-178.7	174.3	174	-0.9	111.4	A105 L106 I107 L111 S112 V113	A105-R109 WeakPolarHBondContact O-CB 3.32Å; A105-R109 PolarHBondContact O-N 3.34Å; L106-R109 WeakPolarHBondContact O-CB 3.26Å; L106-R109 PolarHBondContact O-N 2.9Å; I107-R109 PolarHBondContact O-N 2.84Å; R109-L111 PolarHBondContact O-N 3.5Å; R109-S112 PolarHBondContact O-N 2.8Å; R109-V113 WeakPolarHBondContact O-CG2 3.44Å; R109-V113 PolarHBondContact O-N 2.98Å; R109-V113 VanDerWaalsContact O-N 3.11Å
110	E	91.6	Very high	89.3	Confident	30 Å²	30	49.8 Å²	49.8	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-45	178.9	-67.6	-55	136.3	0	0	111.4	Y82 L106 I107 S112 V113 I114	Y82-E110 HydrophobicContact CE2-CG 3.95Å; L106-E110 PolarHBondContact O-N 3.5Å; L106-E110 VanDerWaalsContact O-N 3.09Å; I107-E110 PolarHBondContact O-N 3.15Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 2.88Å; E110-V113 WeakPolarHBondContact O-CB 3.46Å; E110-V113 PolarHBondContact O-N 3.38Å; E110-V113 VanDerWaalsContact O-N 3.07Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 3.39Å
111	L	90.3	Very high	89.4	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-33.4	179.5	-62.6	-179.4	0	0	0	112.9	Y76 I107 R109 I114 R115 Q156 P183 F188	Y76-L111 HydrophobicContact CE1-CD2 4.38Å; I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.03Å; I107-L111 VanDerWaalsContact O-CG 3.25Å; I107-L111 WeakPolarHBondContact O-CG 3.5Å; I107-L111 PolarHBondContact O-N 3.33Å; R109-L111 PolarHBondContact O-N 3.5Å; L111-I114 HydrophobicContact CD2-CD1 3.93Å; L111-R115 PolarHBondContact O-N 2.88Å; L111-Q156 VanDerWaalsContact CD1-OE1 3.25Å; L111-P183 HydrophobicContact CD1-CB 4.1Å; L111-P183 HydrophobicContact CD2-CB 3.86Å; L111-P183 HydrophobicContact CD2-CG 3.99Å; L111-F188 HydrophobicContact CB-CD2 3.86Å; L111-F188 HydrophobicContact CB-CE2 3.82Å; L111-F188 HydrophobicContact CD1-CB 4.16Å; L111-F188 HydrophobicContact CD1-CD2 3.77Å; L111-F188 HydrophobicContact CD1-CG 4.17Å; L111-F188 HydrophobicContact CD2-CD1 4.41Å; L111-F188 HydrophobicContact CD2-CD2 3.72Å; L111-F188 HydrophobicContact CD2-CE1 4.5Å; L111-F188 HydrophobicContact CD2-CE2 3.83Å; L111-F188 HydrophobicContact CD2-CG 4.02Å; L111-F188 HydrophobicContact CD2-CZ 4.22Å; L111-F188 HydrophobicContact CG-CD2 3.96Å; L111-F188 HydrophobicContact CG-CE2 4.23Å
112	S	88.1	Confident	89.6	Confident	42 Å²	42	39.7 Å²	39.7	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-41.2	172	-167.6	0	0	0	0	111.5	L108 R109 E110 I114 R115 D116	L108-S112 WeakPolarHBondContact O-CB 3.5Å; L108-S112 PolarHBondContact O-N 3.07Å; R109-S112 PolarHBondContact O-N 2.8Å; E110-S112 VanDerWaalsContact C-N 3.31Å; E110-S112 PolarHBondContact O-N 2.88Å; S112-I114 VanDerWaalsContact C-N 3.32Å; S112-I114 PolarHBondContact O-N 3.23Å; S112-R115 PolarHBondContact O-N 3.39Å; S112-R115 PolarHBondContact OG-NH2 3.48Å; S112-D116 PolarHBondContact O-N 2.77Å; S112-D116 PolarHBondContact OG-OD2 3Å
113	V	90.6	Very high	89.7	Confident	47 Å²	47	42.1 Å²	42.1	29%	0.285	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-40.5	178.2	171.5	0	0	0	0	111.2	R109 E110 R115 D116 R117	R109-V113 WeakPolarHBondContact O-CG2 3.44Å; R109-V113 PolarHBondContact O-N 2.98Å; R109-V113 VanDerWaalsContact O-N 3.11Å; E110-V113 WeakPolarHBondContact O-CB 3.46Å; E110-V113 PolarHBondContact O-N 3.38Å; E110-V113 VanDerWaalsContact O-N 3.07Å; V113-R115 PolarHBondContact O-N 3.19Å; V113-D116 PolarHBondContact O-N 3Å; V113-R117 HydrophobicContact CG1-CG 4.13Å; V113-R117 WeakPolarHBondContact O-CB 3.19Å; V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-N 3.11Å
114	I	90.6	Very high	89.7	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-56.4	-51.9	175.9	-64.6	171	0	0	0	110.1	L72 E110 L111 S112 D116 R117 A118 F188	L72-I114 HydrophobicContact CD2-CG2 3.91Å; E110-I114 WeakPolarHBondContact O-CG1 3.46Å; E110-I114 PolarHBondContact O-N 3.39Å; L111-I114 HydrophobicContact CD2-CD1 3.93Å; S112-I114 VanDerWaalsContact C-N 3.32Å; S112-I114 PolarHBondContact O-N 3.23Å; I114-D116 PolarHBondContact O-N 2.77Å; I114-R117 PolarHBondContact O-N 3.47Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.04Å; I114-F188 HydrophobicContact CD1-CZ 4.44Å; I114-F188 HydrophobicContact CG2-CZ 4.19Å
115	R	88.6	Confident	89.8	Confident	70 Å²	70	54 Å²	54	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-48.4	-179.9	-175.5	-164	65.9	-155.6	-8.8	111.5	L111 S112 V113 A118 G119	L111-R115 PolarHBondContact O-N 2.88Å; S112-R115 PolarHBondContact O-N 3.39Å; S112-R115 PolarHBondContact OG-NH2 3.48Å; V113-R115 PolarHBondContact O-N 3.19Å; R115-A118 PolarHBondContact O-N 3.35Å; R115-G119 PolarHBondContact O-N 2.99Å
116	D	88.3	Confident	90.2	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-37.2	-173.6	-60.5	-20.7	0	0	0	111.7	S112 V113 I114 S120	S112-D116 PolarHBondContact O-N 2.77Å; S112-D116 PolarHBondContact OG-OD2 3Å; V113-D116 PolarHBondContact O-N 3Å; I114-D116 PolarHBondContact O-N 2.77Å; D116-S120 WeakPolarHBondContact O-CB 3.42Å; D116-S120 PolarHBondContact O-N 3Å; D116-S120 PolarHBondContact O-OG 2.77Å
117	R	91.5	Very high	90.3	Very high	140 Å²	140	57.5 Å²	57.5	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-70.1	-43.8	174.1	-72.1	-176.7	179.8	-173.8	2.8	112.2	L71 V113 I114 G119 S120 A121	L71-R117 HydrophobicContact CD1-CB 3.81Å; L71-R117 HydrophobicContact CD2-CB 4.11Å; V113-R117 HydrophobicContact CG1-CG 4.13Å; V113-R117 WeakPolarHBondContact O-CB 3.19Å; V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-N 3.11Å; I114-R117 PolarHBondContact O-N 3.47Å; R117-G119 VanDerWaalsContact C-N 3.33Å; R117-S120 PolarHBondContact O-N 3.41Å; R117-A121 WeakPolarHBondContact O-CB 3.19Å; R117-A121 PolarHBondContact O-N 3.05Å
118	A	90.3	Very high	90.4	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-41.6	176.5	0	0	0	0	0	111.2	L71 I114 R115 A121 C122 A152	L71-A118 HydrophobicContact CD1-CB 4.31Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.04Å; R115-A118 PolarHBondContact O-N 3.35Å; A118-A121 PolarHBondContact O-N 2.83Å; A118-C122 WeakPolarHBondContact O-CB 3.14Å; A118-C122 PolarHBondContact O-N 3.24Å; A118-A152 HydrophobicContact CB-CB 4.2Å
119	G	89.8	Confident	90.6	Very high	6 Å²	6	67.7 Å²	67.7	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-43.6	173.5	0	0	0	0	0	112.9	R115 R117 A121 C122 L123 S148	R115-G119 PolarHBondContact O-N 2.99Å; R117-G119 VanDerWaalsContact C-N 3.33Å; G119-A121 VanDerWaalsContact C-N 3.33Å; G119-A121 PolarHBondContact O-N 2.95Å; G119-C122 WeakPolarHBondContact O-CB 3.13Å; G119-C122 PolarHBondContact O-N 2.92Å; G119-L123 WeakPolarHBondContact O-CG 3.5Å; G119-L123 PolarHBondContact O-N 3.19Å; G119-S148 WeakPolarHBondContact CA-OG 3.41Å
120	S	91.6	Very high	91	Very high	66 Å²	66	60.1 Å²	60.1	46%	0.462	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-31.7	176.7	-58.8	0	0	0	0	113	D116 R117 R124	D116-S120 WeakPolarHBondContact O-CB 3.42Å; D116-S120 PolarHBondContact O-N 3Å; D116-S120 PolarHBondContact O-OG 2.77Å; R117-S120 PolarHBondContact O-N 3.41Å; S120-R124 WeakPolarHBondContact O-CG 3.34Å; S120-R124 PolarHBondContact O-NE 2.71Å; S120-R124 VanDerWaalsContact O-NE 3.12Å
121	A	91.8	Very high	91.2	Very high	14 Å²	14	59.2 Å²	59.2	12%	0.116	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-45.9	171.1	0	0	0	0	0	110.9	L64 R117 A118 G119 L123 R124 E125	L64-A121 HydrophobicContact CD1-CB 3.99Å; R117-A121 WeakPolarHBondContact O-CB 3.19Å; R117-A121 PolarHBondContact O-N 3.05Å; A118-A121 PolarHBondContact O-N 2.83Å; G119-A121 VanDerWaalsContact C-N 3.33Å; G119-A121 PolarHBondContact O-N 2.95Å; A121-L123 PolarHBondContact O-N 3.31Å; A121-R124 PolarHBondContact O-N 3.19Å; A121-E125 PolarHBondContact O-N 2.85Å
122	C	91.3	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-55.7	-51.8	177	178.8	0	0	0	0	111.4	L64 A118 G119 R124 E125 L126 A152	L64-C122 HydrophobicContact CD1-CB 4Å; L64-C122 HydrophobicContact CD2-CB 3.77Å; A118-C122 WeakPolarHBondContact O-CB 3.14Å; A118-C122 PolarHBondContact O-N 3.24Å; G119-C122 WeakPolarHBondContact O-CB 3.13Å; G119-C122 PolarHBondContact O-N 2.92Å; C122-R124 PolarHBondContact O-N 3.2Å; C122-R124 VanDerWaalsContact O-N 3.14Å; C122-E125 PolarHBondContact O-N 3.19Å; C122-L126 WeakPolarHBondContact O-CG 3.48Å; C122-L126 PolarHBondContact O-N 2.96Å; C122-A152 HydrophobicContact CB-CB 4.17Å
123	L	89.3	Confident	91.8	Very high	50 Å²	50	58.6 Å²	58.6	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-22.8	-176.1	-67.1	169.6	0	0	0	114.1	G119 A121 L126 L133 F144 I147	G119-L123 WeakPolarHBondContact O-CG 3.5Å; G119-L123 PolarHBondContact O-N 3.19Å; A121-L123 PolarHBondContact O-N 3.31Å; L123-L126 HydrophobicContact CD2-CD1 4.48Å; L123-L133 HydrophobicContact CD2-CD1 3.95Å; L123-F144 HydrophobicContact CD1-CB 4.04Å; L123-F144 HydrophobicContact CD1-CD1 3.84Å; L123-F144 HydrophobicContact CD1-CG 4.12Å; L123-F144 HydrophobicContact CD2-CD1 3.73Å; L123-F144 HydrophobicContact CD2-CE1 4.39Å; L123-F144 HydrophobicContact CG-CD1 4.46Å; L123-I147 HydrophobicContact CD2-CD1 4.43Å; L123-I147 HydrophobicContact CD2-CG2 4.33Å
124	R	90.3	Very high	92.1	Very high	205 Å²	205	58.8 Å²	58.8	77%	0.774	29%	0.287	S	S	*	.	H	α-helix	trans	-79.9	-24.4	176.6	-73.9	-178.4	-68.9	157.9	-0	113.2	S120 A121 C122	S120-R124 WeakPolarHBondContact O-CG 3.34Å; S120-R124 PolarHBondContact O-NE 2.71Å; S120-R124 VanDerWaalsContact O-NE 3.12Å; A121-R124 PolarHBondContact O-N 3.19Å; C122-R124 PolarHBondContact O-N 3.2Å; C122-R124 VanDerWaalsContact O-N 3.14Å
125	E	91.4	Very high	92.3	Very high	86 Å²	86	60.6 Å²	60.6	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-91.8	-22.5	-178	-169.7	171.3	-169.6	0	0	112.5	G61 G63 L64 A121 C122	G61-E125 VanDerWaalsContact CA-OE1 3.28Å; G61-E125 WeakPolarHBondContact CA-OE1 3.38Å; G63-E125 PolarHBondContact N-OE1 3.33Å; L64-E125 WeakPolarHBondContact CA-OE2 3.37Å; L64-E125 WeakPolarHBondContact CB-OE2 3.44Å; L64-E125 PolarHBondContact N-OE2 3.04Å; A121-E125 PolarHBondContact O-N 2.85Å; C122-E125 PolarHBondContact O-N 3.19Å
126	L	92.8	Very high	92.5	Very high	31 Å²	31	57.9 Å²	57.9	16%	0.162	29%	0.288	C	S	.	.	S	Bend	trans	-67.9	137.6	179.7	-61.7	-179.1	0	0	0	112.2	C122 L123 L133 I147 I151	C122-L126 WeakPolarHBondContact O-CG 3.48Å; C122-L126 PolarHBondContact O-N 2.96Å; L123-L126 HydrophobicContact CD2-CD1 4.48Å; L126-L133 HydrophobicContact CB-CD2 4.25Å; L126-I147 HydrophobicContact CD1-CG2 3.72Å; L126-I151 HydrophobicContact CD1-CD1 4Å; L126-I151 HydrophobicContact CD2-CD1 3.93Å
127	D	92.3	Very high	92.8	Very high	106 Å²	106	59.2 Å²	59.2	57%	0.567	30%	0.295	S	S	*	.			trans	-65.2	150.1	172.6	-163.1	-75.2	0	0	0	111.3	S129 N130	D127-S129 PolarHBondContact O-N 3.26Å; D127-S129 PolarHBondContact OD1-N 3.46Å; D127-S129 PolarHBondContact OD1-OG 3.37Å; D127-N130 WeakPolarHBondContact O-CB 3.48Å; D127-N130 PolarHBondContact O-N 2.76Å; D127-N130 VanDerWaalsContact O-N 3.08Å
128	K	91.8	Very high	92.9	Very high	189 Å²	189	54.3 Å²	54.3	82%	0.822	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.5	178.2	-61.2	-179.8	-177.1	178.9	0	112.8	N130	K128-N130 PolarHBondContact O-N 3.37Å
129	S	93.8	Very high	93	Very high	83 Å²	83	55.3 Å²	55.3	58%	0.58	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.5	176.6	69.3	0	0	0	0	113.4	D127 S131	D127-S129 PolarHBondContact O-N 3.26Å; D127-S129 PolarHBondContact OD1-N 3.46Å; D127-S129 PolarHBondContact OD1-OG 3.37Å; S129-S131 PolarHBondContact O-N 2.85Å
130	N	95.6	Very high	93.2	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.048	32%	0.315	C	S	.	.			trans	-63.1	125.4	-176.8	-169.1	-2.1	0	0	0	111.3	D57 D127 K128 P132 L133 I134	D57-N130 WeakPolarHBondContact CB-OD1 3.35Å; D57-N130 VanDerWaalsContact CG-OD1 3.27Å; D57-N130 PolarHBondContact O-ND2 3.44Å; D57-N130 PolarHBondContact OD1-OD1 3.35Å; D57-N130 VanDerWaalsContact OD1-OD1 3.13Å; D127-N130 WeakPolarHBondContact O-CB 3.48Å; D127-N130 PolarHBondContact O-N 2.76Å; D127-N130 VanDerWaalsContact O-N 3.08Å; K128-N130 PolarHBondContact O-N 3.37Å; N130-P132 WeakPolarHBondContact OD1-CD 3.5Å; N130-L133 HydrophobicContact CB-CB 4.14Å; N130-L133 WeakPolarHBondContact O-CB 3.25Å; N130-L133 PolarHBondContact O-N 3.46Å; N130-I134 WeakPolarHBondContact O-CG1 3.4Å; N130-I134 PolarHBondContact O-N 3.35Å
131	S	96	Very high	93.2	Very high	11 Å²	11	63.2 Å²	63.2	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-48.4	-170	-67.5	0	0	0	0	114.4	S52 S129 L133 I134 M135	S52-S131 WeakPolarHBondContact O-CB 3.17Å; S52-S131 PolarHBondContact O-OG 3.24Å; S129-S131 PolarHBondContact O-N 2.85Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 3.41Å; S131-I134 PolarHBondContact O-N 2.97Å; S131-M135 WeakPolarHBondContact O-CG 3.34Å; S131-M135 PolarHBondContact O-N 2.8Å
132	P	95.9	Very high	93.1	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.071	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-36	175.4	-23	37.2	0	0	0	112.5	I53 D57 N130 M135 A136 I147	I53-P132 HydrophobicContact CD1-CG 3.66Å; I53-P132 HydrophobicContact CG1-CG 4.12Å; D57-P132 HydrophobicContact CB-CG 4.24Å; N130-P132 WeakPolarHBondContact OD1-CD 3.5Å; P132-M135 PolarHBondContact O-N 3.2Å; P132-A136 WeakPolarHBondContact O-CB 3.22Å; P132-A136 PolarHBondContact O-N 3.44Å; P132-I147 HydrophobicContact CB-CD1 4.23Å; P132-I147 HydrophobicContact CB-CG1 4.05Å; P132-I147 WeakPolarHBondContact O-CD1 3.49Å
133	L	95.1	Very high	93.1	Very high	18 Å²	18	66.8 Å²	66.8	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-45.9	177.4	-178	62.4	0	0	0	110.9	L123 L126 N130 S131 M135 A136 L137 F144 I147	L123-L133 HydrophobicContact CD2-CD1 3.95Å; L126-L133 HydrophobicContact CB-CD2 4.25Å; N130-L133 HydrophobicContact CB-CB 4.14Å; N130-L133 WeakPolarHBondContact O-CB 3.25Å; N130-L133 PolarHBondContact O-N 3.46Å; S131-L133 VanDerWaalsContact C-N 3.27Å; S131-L133 PolarHBondContact O-N 3.41Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.19Å; L133-A136 PolarHBondContact O-N 3.46Å; L133-L137 HydrophobicContact CD1-CD1 4.26Å; L133-L137 HydrophobicContact CD1-CG 4.32Å; L133-L137 HydrophobicContact CG-CD1 3.92Å; L133-L137 HydrophobicContact CG-CG 4.43Å; L133-L137 WeakPolarHBondContact O-CB 3.5Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 2.98Å; L133-F144 HydrophobicContact CD1-CE1 4.07Å; L133-I147 HydrophobicContact CD1-CD1 4.49Å
134	I	95.3	Very high	93.2	Very high	51 Å²	51	69 Å²	69	26%	0.262	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-45.3	174.8	-67.1	167.9	0	0	0	110.7	F51 N130 S131 A136 L137 C138	F51-I134 HydrophobicContact CE2-CB 4.46Å; F51-I134 HydrophobicContact CE2-CD1 4.35Å; F51-I134 HydrophobicContact CE2-CG2 4.29Å; N130-I134 WeakPolarHBondContact O-CG1 3.4Å; N130-I134 PolarHBondContact O-N 3.35Å; S131-I134 PolarHBondContact O-N 2.97Å; I134-A136 VanDerWaalsContact C-N 3.34Å; I134-A136 PolarHBondContact O-N 2.88Å; I134-L137 PolarHBondContact O-N 2.94Å; I134-C138 PolarHBondContact O-N 3.5Å; I134-C138 PolarHBondContact O-SG 2.95Å
135	M	95.7	Very high	93.2	Very high	47 Å²	47	63.5 Å²	63.5	23%	0.232	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-39.1	179.9	-70.4	173.6	63.5	0	0	112.8	F51 S131 P132 L133 C138 G139 S140 K141	F51-M135 HydrophobicContact CE1-CG 3.95Å; F51-M135 HydrophobicContact CE1-SD 3.85Å; F51-M135 HydrophobicContact CZ-CG 3.81Å; F51-M135 HydrophobicContact CZ-SD 4.19Å; S131-M135 WeakPolarHBondContact O-CG 3.34Å; S131-M135 PolarHBondContact O-N 2.8Å; P132-M135 PolarHBondContact O-N 3.2Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.19Å; M135-C138 PolarHBondContact O-SG 2.96Å; M135-C138 VanDerWaalsContact O-SG 3.38Å; M135-G139 CarbonylContact O-C 3.57Å; M135-G139 PolarHBondContact O-N 3.32Å; M135-G139 VanDerWaalsContact O-N 3.08Å; M135-S140 WeakPolarHBondContact CA-OG 3.48Å; M135-S140 PolarHBondContact O-N 3.19Å; M135-S140 PolarHBondContact O-OG 2.58Å; M135-K141 WeakPolarHBondContact CB-O 3.5Å; M135-K141 HydrophobicContact CE-CB 3.8Å
136	A	93.8	Very high	93.2	Very high	12 Å²	12	62.7 Å²	62.7	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-71	-42	175.9	0	0	0	0	0	112.1	P132 L133 I134 G139 F144 I147	P132-A136 WeakPolarHBondContact O-CB 3.22Å; P132-A136 PolarHBondContact O-N 3.44Å; L133-A136 PolarHBondContact O-N 3.46Å; I134-A136 VanDerWaalsContact C-N 3.34Å; I134-A136 PolarHBondContact O-N 2.88Å; A136-G139 PolarHBondContact O-N 3.1Å; A136-F144 HydrophobicContact CB-CD1 4.28Å; A136-F144 HydrophobicContact CB-CE1 4.25Å; A136-I147 HydrophobicContact CB-CD1 3.72Å
137	L	93.4	Very high	93.2	Very high	105 Å²	105	61.4 Å²	61.4	55%	0.55	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-47.8	177.5	-76	168.5	0	0	0	111.9	L133 I134 G139 F144	L133-L137 HydrophobicContact CD1-CD1 4.26Å; L133-L137 HydrophobicContact CD1-CG 4.32Å; L133-L137 HydrophobicContact CG-CD1 3.92Å; L133-L137 HydrophobicContact CG-CG 4.43Å; L133-L137 WeakPolarHBondContact O-CB 3.5Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 2.98Å; I134-L137 PolarHBondContact O-N 2.94Å; L137-G139 PolarHBondContact O-N 2.98Å; L137-F144 HydrophobicContact CD2-CE1 4.28Å; L137-F144 HydrophobicContact CD2-CZ 3.94Å; L137-F144 HydrophobicContact CG-CZ 4.5Å
138	C	93.5	Very high	93.2	Very high	37 Å²	37	56.7 Å²	56.7	25%	0.25	32%	0.317	C	S	.	.	H	α-helix	trans	-75.5	-13.1	177.8	73.9	0	0	0	0	112.7	K7 I134 M135 S140	K7-C138 WeakPolarHBondContact CB-O 3.38Å; K7-C138 PolarHBondContact N-O 3.41Å; I134-C138 PolarHBondContact O-N 3.5Å; I134-C138 PolarHBondContact O-SG 2.95Å; M135-C138 PolarHBondContact O-SG 2.96Å; M135-C138 VanDerWaalsContact O-SG 3.38Å; C138-S140 VanDerWaalsContact C-N 3.3Å; C138-S140 PolarHBondContact O-N 3.39Å; C138-S140 VanDerWaalsContact SG-CB 3.56Å; C138-S140 PolarHBondContact SG-OG 3.11Å
139	G	93.7	Very high	93.3	Very high	23 Å²	23	49.9 Å²	49.9	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	14.9	179.9	0	0	0	0	0	114.6	K7 M135 A136 L137	K7-G139 WeakPolarHBondContact CD-O 3.39Å; M135-G139 CarbonylContact O-C 3.57Å; M135-G139 PolarHBondContact O-N 3.32Å; M135-G139 VanDerWaalsContact O-N 3.08Å; A136-G139 PolarHBondContact O-N 3.1Å; L137-G139 PolarHBondContact O-N 2.98Å
140	S	92.6	Very high	93.3	Very high	78 Å²	78	48.9 Å²	48.9	55%	0.545	28%	0.275	S	S	.	.	S	Bend	trans	-61.3	-53.4	-178.8	58.4	0	0	0	0	112.2	M135 C138	M135-S140 WeakPolarHBondContact CA-OG 3.48Å; M135-S140 PolarHBondContact O-N 3.19Å; M135-S140 PolarHBondContact O-OG 2.58Å; C138-S140 VanDerWaalsContact C-N 3.3Å; C138-S140 PolarHBondContact O-N 3.39Å; C138-S140 VanDerWaalsContact SG-CB 3.56Å; C138-S140 PolarHBondContact SG-OG 3.11Å
141	K	92.6	Very high	93.3	Very high	161 Å²	161	48.6 Å²	48.6	70%	0.7	27%	0.274	S	S	*	.	S	Bend	trans	-158.1	140.1	176.4	-169.2	173.3	-176.2	177.6	0	110.6	M135	M135-K141 WeakPolarHBondContact CB-O 3.5Å; M135-K141 HydrophobicContact CE-CB 3.8Å
142	G	90.1	Very high	93.1	Very high	45 Å²	45	48.1 Å²	48.1	46%	0.464	27%	0.27	S	S	.	.			trans	84.6	169.9	-176.7	0	0	0	0	0	112.6
143	S	91	Very high	93	Very high	45 Å²	45	47.6 Å²	47.6	32%	0.315	27%	0.267	S	S	.	.			trans	-136.5	168.3	179.5	66.8	0	0	0	0	109.7	I145 N146 I147	S143-I145 PolarHBondContact O-N 3.28Å; S143-I145 PolarHBondContact OG-N 3.25Å; S143-N146 PolarHBondContact N-OD1 3Å; S143-N146 WeakPolarHBondContact O-CB 3.34Å; S143-N146 PolarHBondContact O-N 3.2Å; S143-N146 PolarHBondContact OG-N 3.18Å; S143-N146 PolarHBondContact OG-OD1 3.32Å; S143-I147 PolarHBondContact O-N 2.78Å
144	F	90.9	Very high	92.9	Very high	95 Å²	95	46.9 Å²	46.9	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-31.3	172.7	-63.2	-58.9	0	0	0	112.9	L123 L133 A136 L137 I147 S148	L123-F144 HydrophobicContact CD1-CB 4.04Å; L123-F144 HydrophobicContact CD1-CD1 3.84Å; L123-F144 HydrophobicContact CD1-CG 4.12Å; L123-F144 HydrophobicContact CD2-CD1 3.73Å; L123-F144 HydrophobicContact CD2-CE1 4.39Å; L123-F144 HydrophobicContact CG-CD1 4.46Å; L133-F144 HydrophobicContact CD1-CE1 4.07Å; A136-F144 HydrophobicContact CB-CD1 4.28Å; A136-F144 HydrophobicContact CB-CE1 4.25Å; L137-F144 HydrophobicContact CD2-CE1 4.28Å; L137-F144 HydrophobicContact CD2-CZ 3.94Å; L137-F144 HydrophobicContact CG-CZ 4.5Å; F144-I147 PolarHBondContact O-N 3.39Å; F144-S148 WeakPolarHBondContact O-CB 3.49Å; F144-S148 PolarHBondContact O-N 3.2Å
145	I	89.1	Confident	92.8	Very high	91 Å²	91	44.5 Å²	44.5	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.2	-61.2	175.5	0	0	0	110.2	S143 I147 S148 Q149	S143-I145 PolarHBondContact O-N 3.28Å; S143-I145 PolarHBondContact OG-N 3.25Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.18Å; I145-S148 WeakPolarHBondContact O-CB 3.48Å; I145-S148 PolarHBondContact O-N 2.96Å; I145-Q149 HydrophobicContact CG2-CG 4.28Å; I145-Q149 VanDerWaalsContact O-CG 3.27Å; I145-Q149 WeakPolarHBondContact O-CG 3.45Å; I145-Q149 PolarHBondContact O-N 3.03Å
146	N	92.8	Very high	92.6	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-41	179.8	-57.9	115.6	0	0	0	111.7	S143 Q149 M150	S143-N146 PolarHBondContact N-OD1 3Å; S143-N146 WeakPolarHBondContact O-CB 3.34Å; S143-N146 PolarHBondContact O-N 3.2Å; S143-N146 PolarHBondContact OG-N 3.18Å; S143-N146 PolarHBondContact OG-OD1 3.32Å; N146-Q149 PolarHBondContact O-N 3.49Å; N146-M150 WeakPolarHBondContact O-CE 3.46Å; N146-M150 WeakPolarHBondContact O-CG 3.42Å; N146-M150 PolarHBondContact O-N 3.44Å
147	I	93.3	Very high	92.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-48.8	175.3	-59.6	174.1	0	0	0	110	L123 L126 P132 L133 A136 S143 F144 I145 Q149 M150 I151	L123-I147 HydrophobicContact CD2-CD1 4.43Å; L123-I147 HydrophobicContact CD2-CG2 4.33Å; L126-I147 HydrophobicContact CD1-CG2 3.72Å; P132-I147 HydrophobicContact CB-CD1 4.23Å; P132-I147 HydrophobicContact CB-CG1 4.05Å; P132-I147 WeakPolarHBondContact O-CD1 3.49Å; L133-I147 HydrophobicContact CD1-CD1 4.49Å; A136-I147 HydrophobicContact CB-CD1 3.72Å; S143-I147 PolarHBondContact O-N 2.78Å; F144-I147 PolarHBondContact O-N 3.39Å; I145-I147 VanDerWaalsContact C-N 3.33Å; I145-I147 PolarHBondContact O-N 3.18Å; I147-Q149 VanDerWaalsContact C-N 3.27Å; I147-Q149 PolarHBondContact O-N 3.02Å; I147-M150 PolarHBondContact O-N 2.68Å; I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.37Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 3.47Å
148	S	92.2	Very high	92.3	Very high	7 Å²	7	41.6 Å²	41.6	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-39.1	177.8	-177.5	0	0	0	0	112.6	G119 F144 I145 A152 C153	G119-S148 WeakPolarHBondContact CA-OG 3.41Å; F144-S148 WeakPolarHBondContact O-CB 3.49Å; F144-S148 PolarHBondContact O-N 3.2Å; I145-S148 WeakPolarHBondContact O-CB 3.48Å; I145-S148 PolarHBondContact O-N 2.96Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 WeakPolarHBondContact O-CB 3.2Å; S148-A152 PolarHBondContact O-N 3.12Å; S148-C153 PolarHBondContact O-N 3.38Å
149	Q	92.3	Very high	91.9	Very high	47 Å²	47	41.1 Å²	41.1	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-71.2	-37.3	179.9	-71.3	177.9	-37	0	0	112.8	I145 N146 I147 C153 V154 F193	I145-Q149 HydrophobicContact CG2-CG 4.28Å; I145-Q149 VanDerWaalsContact O-CG 3.27Å; I145-Q149 WeakPolarHBondContact O-CG 3.45Å; I145-Q149 PolarHBondContact O-N 3.03Å; N146-Q149 PolarHBondContact O-N 3.49Å; I147-Q149 VanDerWaalsContact C-N 3.27Å; I147-Q149 PolarHBondContact O-N 3.02Å; Q149-C153 WeakPolarHBondContact CA-O 3.42Å; Q149-V154 PolarHBondContact NE2-O 3.48Å; Q149-F193 HydrophobicContact CB-CD2 4.46Å; Q149-F193 HydrophobicContact CB-CE2 4.11Å; Q149-F193 PolarHBondContact O-N 2.96Å
150	M	94.8	Very high	91.2	Very high	61 Å²	61	43.2 Å²	43.2	30%	0.3	25%	0.247	S	C	.	.	H	α-helix	trans	-71.1	-37.7	177.9	-68.7	-177.9	-62.1	0	0	112.3	V58 N146 I147 S192 F193 Y194	V58-M150 HydrophobicContact CG1-CB 4.5Å; N146-M150 WeakPolarHBondContact O-CE 3.46Å; N146-M150 WeakPolarHBondContact O-CG 3.42Å; N146-M150 PolarHBondContact O-N 3.44Å; I147-M150 PolarHBondContact O-N 2.68Å; M150-S192 WeakPolarHBondContact O-CB 3.36Å; M150-S192 PolarHBondContact O-OG 3.3Å; M150-F193 HydrophobicContact CG-CD2 4.01Å; M150-Y194 WeakPolarHBondContact O-CB 3.23Å; M150-Y194 PolarHBondContact O-N 2.88Å; M150-Y194 VanDerWaalsContact O-N 3.13Å
151	I	94.6	Very high	90.5	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-100.7	-51.1	-170.3	-52.6	-177	0	0	0	112.2	V58 P60 L64 L126 I147 S192	V58-I151 HydrophobicContact CB-CG1 4.08Å; V58-I151 HydrophobicContact CG1-CG1 4.37Å; P60-I151 HydrophobicContact CB-CG2 3.93Å; L64-I151 HydrophobicContact CD2-CG2 3.72Å; L126-I151 HydrophobicContact CD1-CD1 4Å; L126-I151 HydrophobicContact CD2-CD1 3.93Å; I147-I151 HydrophobicContact CG2-CD1 3.68Å; I147-I151 HydrophobicContact CG2-CG1 4.37Å; I147-I151 WeakPolarHBondContact O-CG1 3.47Å; I147-I151 PolarHBondContact O-N 3.47Å; I151-S192 WeakPolarHBondContact O-CB 3.5Å; I151-S192 PolarHBondContact O-OG 3.47Å; I151-S192 VanDerWaalsContact O-OG 3.07Å
152	A	93.1	Very high	90	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-69.3	-168.4	0	0	0	0	0	113.1	L64 K68 A118 C122 S148	L64-A152 HydrophobicContact CD1-CB 4.24Å; L64-A152 HydrophobicContact CD2-CB 4.17Å; K68-A152 WeakPolarHBondContact CD-O 3.39Å; K68-A152 VanDerWaalsContact CE-O 3.25Å; K68-A152 WeakPolarHBondContact CE-O 3.33Å; K68-A152 PolarHBondContact NZ-O 2.93Å; A118-A152 HydrophobicContact CB-CB 4.2Å; C122-A152 HydrophobicContact CB-CB 4.17Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 WeakPolarHBondContact O-CB 3.2Å; S148-A152 PolarHBondContact O-N 3.12Å
153	C	93.1	Very high	90.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	22%	0.215	C	C	.	.			trans	-160.1	133.6	-173.9	176.4	0	0	0	0	109.8	S148 Q149 G155 V189 A190	S148-C153 PolarHBondContact O-N 3.38Å; Q149-C153 WeakPolarHBondContact CA-O 3.42Å; C153-G155 PolarHBondContact SG-N 3.5Å; C153-V189 PolarHBondContact SG-O 3.48Å; C153-A190 PolarHBondContact SG-O 3.37Å
154	V	93.4	Very high	90.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	20%	0.2	C	C	.	.			trans	-69.9	-41.1	178.9	176.7	0	0	0	0	110.9	Q149 V189 D191 F193 L197	Q149-V154 PolarHBondContact NE2-O 3.48Å; V154-V189 HydrophobicContact CB-CB 4.08Å; V154-V189 HydrophobicContact CB-CG1 3.79Å; V154-V189 HydrophobicContact CG1-CB 4.35Å; V154-V189 HydrophobicContact CG1-CG1 4.33Å; V154-V189 HydrophobicContact CG2-CG1 4.15Å; V154-D191 VanDerWaalsContact CG2-O 3.26Å; V154-D191 WeakPolarHBondContact CG2-O 3.32Å; V154-D191 PolarHBondContact N-O 3.32Å; V154-D191 VanDerWaalsContact N-O 3.11Å; V154-F193 HydrophobicContact CG1-CZ 4.3Å; V154-F193 HydrophobicContact CG2-CD1 4.31Å; V154-F193 HydrophobicContact CG2-CD2 4.29Å; V154-F193 HydrophobicContact CG2-CE1 4.13Å; V154-F193 HydrophobicContact CG2-CE2 4.11Å; V154-F193 HydrophobicContact CG2-CG 4.4Å; V154-F193 HydrophobicContact CG2-CZ 4.02Å; V154-L197 HydrophobicContact CG2-CD2 4.27Å
155	G	92.6	Very high	90.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-166.7	175.5	0	0	0	0	0	114.4	C153 Q157 V189	C153-G155 PolarHBondContact SG-N 3.5Å; G155-Q157 PolarHBondContact O-N 3.3Å; G155-Q157 PolarHBondContact O-NE2 3.26Å; G155-V189 PolarHBondContact N-O 3.09Å; G155-V189 PolarHBondContact O-N 3.05Å; G155-V189 VanDerWaalsContact O-N 3.15Å
156	Q	92.7	Very high	90.5	Very high	35 Å²	35	32.1 Å²	32.1	16%	0.164	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.6	-176.9	-180	63.4	54	0	0	112.2	L108 L111 R163 K186 G187 F188	L108-Q156 HydrophobicContact CD2-CG 3.81Å; L111-Q156 VanDerWaalsContact CD1-OE1 3.25Å; Q156-R163 HydrophobicContact CG-CG 4.39Å; Q156-K186 PolarHBondContact NE2-O 3.14Å; Q156-G187 PolarHBondContact NE2-O 3.45Å; Q156-F188 HydrophobicContact CB-CD2 4.1Å
157	Q	92.3	Very high	90.5	Very high	18 Å²	18	32 Å²	32	8%	0.084	22%	0.215	C	C	.	.			trans	-85.1	111.3	168.2	-53.8	-51.2	-70.8	0	0	108.6	G155 G187 V189 H205 A208	G155-Q157 PolarHBondContact O-N 3.3Å; G155-Q157 PolarHBondContact O-NE2 3.26Å; Q157-G187 WeakPolarHBondContact CB-O 3.28Å; Q157-G187 WeakPolarHBondContact CG-O 3.38Å; Q157-G187 PolarHBondContact N-O 3.45Å; Q157-V189 HydrophobicContact CG-CG2 3.73Å; Q157-H205 HydrophobicContact CG-CB 4.45Å; Q157-H205 PolarHBondContact OE1-ND1 3.14Å; Q157-A208 HydrophobicContact CB-CB 4.09Å
158	A	86.9	Confident	90.6	Very high	50 Å²	50	36.9 Å²	36.9	41%	0.413	24%	0.236	S	C	.	.			trans	-100.2	133.8	177.4	0	0	0	0	0	109.7	S162	A158-S162 CarbonylContact C-O 3.6Å; A158-S162 VanDerWaalsContact CA-O 3.24Å; A158-S162 WeakPolarHBondContact CA-O 3.1Å
159	I	85.6	Confident	90.7	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.138	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-117.1	123.4	175.2	-58.2	174	0	0	0	107.3	G161 S162 V164 M207 A208 E211	I159-G161 PolarHBondContact O-N 3.09Å; I159-G161 VanDerWaalsContact O-N 3.12Å; I159-S162 PolarHBondContact N-O 3.03Å; I159-S162 PolarHBondContact O-N 3.46Å; I159-V164 HydrophobicContact CD1-CG1 4.22Å; I159-V164 HydrophobicContact CD1-CG2 4.13Å; I159-M207 HydrophobicContact CD1-CB 3.68Å; I159-M207 HydrophobicContact CD1-CE 3.79Å; I159-M207 HydrophobicContact CD1-SD 4.44Å; I159-A208 HydrophobicContact CG1-CB 4.38Å; I159-E211 VanDerWaalsContact CA-OE2 3.25Å; I159-E211 WeakPolarHBondContact CA-OE2 3.44Å
160	S	80.1	Confident	90.8	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.3	-178.1	-53.4	0	0	0	0	113.7	S162 E211 F408	S160-S162 VanDerWaalsContact C-N 3.3Å; S160-S162 PolarHBondContact O-N 2.93Å; S160-E211 VanDerWaalsContact CA-OE1 3.23Å; S160-E211 WeakPolarHBondContact CA-OE1 3.31Å; S160-E211 PolarHBondContact N-OE1 3.1Å; S160-E211 PolarHBondContact N-OE2 2.82Å; S160-E211 PolarHBondContact OG-OE1 3.09Å; S160-F408 VanDerWaalsContact O-CD2 3.3Å; S160-F408 WeakPolarHBondContact O-CD2 3.22Å; S160-F408 WeakPolarHBondContact O-CE2 3.5Å
161	G	76.7	Confident	90.9	Very high	48 Å²	48	43.8 Å²	43.8	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-1.8	178	0	0	0	0	0	115.8	I159	I159-G161 PolarHBondContact O-N 3.09Å; I159-G161 VanDerWaalsContact O-N 3.12Å
162	S	83.8	Confident	90.9	Very high	74 Å²	74	44.1 Å²	44.1	52%	0.517	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-118	169	178.4	-66	0	0	0	0	112.1	A158 I159 S160	A158-S162 CarbonylContact C-O 3.6Å; A158-S162 VanDerWaalsContact CA-O 3.24Å; A158-S162 WeakPolarHBondContact CA-O 3.1Å; I159-S162 PolarHBondContact N-O 3.03Å; I159-S162 PolarHBondContact O-N 3.46Å; S160-S162 VanDerWaalsContact C-N 3.3Å; S160-S162 PolarHBondContact O-N 2.93Å
163	R	90.2	Very high	91	Very high	9 Å²	9	44.9 Å²	44.9	3%	0.034	27%	0.273	C	S	.	.	S	Bend	trans	-64.1	164.3	166.7	-70	178.1	51.3	-140.1	19	110.1	E104 L108 Q156 K181 L182 K186	E104-R163 VanDerWaalsContact CD-NH1 3.31Å; E104-R163 IonicContact OE1-NH1 2.73Å; E104-R163 PolarHBondContact OE1-NH1 2.91Å; E104-R163 VanDerWaalsContact OE1-NH1 3.11Å; E104-R163 VanDerWaalsContact OE2-CD 3.23Å; E104-R163 WeakPolarHBondContact OE2-CD 3.46Å; E104-R163 IonicContact OE2-CZ 3.77Å; E104-R163 IonicContact OE2-NE 2.75Å; E104-R163 IonicContact OE2-NH1 2.7Å; E104-R163 PolarHBondContact OE2-NH1 3.33Å; L108-R163 HydrophobicContact CD1-CG 4.5Å; L108-R163 HydrophobicContact CD2-CG 3.6Å; L108-R163 HydrophobicContact CG-CG 4.04Å; Q156-R163 HydrophobicContact CG-CG 4.39Å; R163-K181 PolarHBondContact NH2-O 3.31Å; R163-L182 PolarHBondContact NH2-O 3.44Å; R163-K186 HydrophobicContact CB-CB 4.21Å; R163-K186 VanDerWaalsContact CZ-CB 3.48Å; R163-K186 VanDerWaalsContact NH2-CB 3.3Å
164	V	92.8	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.3	125.6	-173.6	-176.7	0	0	0	0	110.3	I159 S172 K186 F204 M207	I159-V164 HydrophobicContact CD1-CG1 4.22Å; I159-V164 HydrophobicContact CD1-CG2 4.13Å; V164-S172 VanDerWaalsContact CG1-OG 3.27Å; V164-S172 WeakPolarHBondContact CG1-OG 3.39Å; V164-K186 PolarHBondContact N-O 2.94Å; V164-K186 VanDerWaalsContact O-CE 3.31Å; V164-K186 WeakPolarHBondContact O-CE 3.18Å; V164-K186 PolarHBondContact O-NZ 3.4Å; V164-F204 HydrophobicContact CB-CD1 4.28Å; V164-F204 HydrophobicContact CB-CE1 4.41Å; V164-F204 HydrophobicContact CG1-CD1 3.8Å; V164-F204 HydrophobicContact CG1-CE1 3.85Å; V164-F204 HydrophobicContact CG2-CB 4.34Å; V164-F204 HydrophobicContact CG2-CD1 3.93Å; V164-F204 HydrophobicContact CG2-CG 4.24Å; V164-M207 HydrophobicContact CG1-CE 4.11Å; V164-M207 HydrophobicContact CG1-SD 4.25Å
165	P	93.3	Very high	91.3	Very high	75 Å²	75	55 Å²	55	49%	0.487	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-68.6	166	179.4	29.1	-35.1	0	0	0	111.4	G167 S172	P165-G167 PolarHBondContact O-N 2.98Å; P165-S172 PolarHBondContact O-OG 3.08Å
166	D	93.8	Very high	91.4	Very high	76 Å²	76	57 Å²	57	41%	0.406	33%	0.334	S	S	.	.			trans	-79.3	109.5	176.9	-66.6	-17.1	0	0	0	109.5	F168 R171 S172 K186	D166-F168 VanDerWaalsContact C-N 3.35Å; D166-R171 WeakPolarHBondContact CA-O 3.37Å; D166-R171 WeakPolarHBondContact CB-O 3.27Å; D166-S172 PolarHBondContact OD1-N 3.02Å; D166-K186 IonicContact OD1-NZ 2.74Å; D166-K186 PolarHBondContact OD1-NZ 3.04Å; D166-K186 IonicContact OD2-NZ 3.99Å
167	G	92.8	Very high	91.6	Very high	65 Å²	65	62.6 Å²	62.6	67%	0.67	36%	0.36	S	S	*	.	S	Bend	trans	-83.4	-12.8	176.2	0	0	0	0	0	113.6	P165 R171	P165-G167 PolarHBondContact O-N 2.98Å; G167-R171 PolarHBondContact N-O 3.43Å
168	F	95.3	Very high	91.7	Very high	107 Å²	107	66.5 Å²	66.5	47%	0.469	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-124.4	174.4	175.5	-68	-95.5	0	0	0	109.6	D166 N170 R171 S172 L173 P174	D166-F168 VanDerWaalsContact C-N 3.35Å; F168-N170 PolarHBondContact O-N 3.02Å; F168-R171 HydrophobicContact CB-CG 3.89Å; F168-R171 PolarHBondContact N-O 3.25Å; F168-R171 PolarHBondContact O-N 3.42Å; F168-S172 WeakPolarHBondContact CD2-O 3.49Å; F168-L173 HydrophobicContact CE2-CD2 4.29Å; F168-P174 HydrophobicContact CD1-CG 4.28Å; F168-P174 HydrophobicContact CD2-CG 4.37Å; F168-P174 HydrophobicContact CE1-CG 3.96Å; F168-P174 HydrophobicContact CE2-CG 4.07Å; F168-P174 HydrophobicContact CG-CG 4.48Å; F168-P174 HydrophobicContact CZ-CG 3.84Å
169	E	95.6	Very high	92	Very high	130 Å²	130	70.3 Å²	70.3	61%	0.607	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	104.3	176.8	-172.3	-169.3	-149.9	0	0	111.5	R171 K178	E169-R171 PolarHBondContact O-N 2.92Å; E169-K178 IonicContact OE2-NZ 3.51Å; E169-K178 PolarHBondContact OE2-NZ 3.29Å
170	N	94.4	Very high	92.4	Very high	71 Å²	71	70.1 Å²	70.1	38%	0.38	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	28	178.1	-54.5	-43	0	0	0	115.2	F168 H179	F168-N170 PolarHBondContact O-N 3.02Å; N170-H179 WeakPolarHBondContact CB-CE1 3.36Å; N170-H179 PolarHBondContact ND2-CE1 3.26Å; N170-H179 PolarHBondContact ND2-NE2 2.92Å; N170-H179 PolarHBondContact O-N 2.85Å
171	R	95.2	Very high	93	Very high	60 Å²	60	69 Å²	69	23%	0.226	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-158.3	157.2	176.2	62.5	-173.3	174.2	168.3	0.5	112.1	D166 G167 F168 E169 P174 F176	D166-R171 WeakPolarHBondContact CA-O 3.37Å; D166-R171 WeakPolarHBondContact CB-O 3.27Å; G167-R171 PolarHBondContact N-O 3.43Å; F168-R171 HydrophobicContact CB-CG 3.89Å; F168-R171 PolarHBondContact N-O 3.25Å; F168-R171 PolarHBondContact O-N 3.42Å; E169-R171 PolarHBondContact O-N 2.92Å; R171-P174 PolarHBondContact NH1-O 2.71Å; R171-P174 VanDerWaalsContact NH1-O 3.16Å; R171-F176 WeakPolarHBondContact CD-O 3.44Å; R171-F176 PolarHBondContact NH1-O 2.79Å
172	S	94.6	Very high	93.9	Very high	9 Å²	9	70.3 Å²	70.3	6%	0.063	37%	0.369	C	S	.	.	S	Bend	trans	-76.7	-44.9	178.9	-160.6	0	0	0	0	113.3	V164 P165 D166 F168 A185 F204	V164-S172 VanDerWaalsContact CG1-OG 3.27Å; V164-S172 WeakPolarHBondContact CG1-OG 3.39Å; P165-S172 PolarHBondContact O-OG 3.08Å; D166-S172 PolarHBondContact OD1-N 3.02Å; F168-S172 WeakPolarHBondContact CD2-O 3.49Å; S172-A185 VanDerWaalsContact CB-O 3.27Å; S172-A185 WeakPolarHBondContact CB-O 3.44Å; S172-F204 VanDerWaalsContact OG-CE1 3.25Å; S172-F204 WeakPolarHBondContact OG-CE1 3.42Å
173	L	95.5	Very high	94.4	Very high	18 Å²	18	67 Å²	67	9%	0.094	35%	0.346	C	S	.	.	S	Bend	trans	-139	156.7	177.7	-70.1	175.4	0	0	0	111.2	F168 H175 F176 T200 F203 F204	F168-L173 HydrophobicContact CE2-CD2 4.29Å; L173-H175 PolarHBondContact O-N 3.02Å; L173-H175 VanDerWaalsContact O-N 3.14Å; L173-F176 HydrophobicContact CB-CD2 4.05Å; L173-F176 HydrophobicContact CB-CE2 4.31Å; L173-F176 HydrophobicContact CD1-CE2 4.42Å; L173-F176 PolarHBondContact O-N 2.78Å; L173-T200 HydrophobicContact CD1-CG2 4.04Å; L173-F203 HydrophobicContact CD1-CD1 4.16Å; L173-F203 HydrophobicContact CD2-CD1 4.07Å; L173-F203 HydrophobicContact CD2-CE1 3.97Å; L173-F204 HydrophobicContact CD1-CE1 3.82Å; L173-F204 HydrophobicContact CD1-CE2 4.31Å; L173-F204 HydrophobicContact CD1-CZ 3.65Å; L173-F204 HydrophobicContact CG-CE1 3.99Å; L173-F204 HydrophobicContact CG-CZ 3.99Å
174	P	96.7	Very high	94.7	Very high	65 Å²	65	68.7 Å²	68.7	42%	0.422	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.8	179.2	-23.9	35.8	0	0	0	115.4	F168 R171 F176	F168-P174 HydrophobicContact CD1-CG 4.28Å; F168-P174 HydrophobicContact CD2-CG 4.37Å; F168-P174 HydrophobicContact CE1-CG 3.96Å; F168-P174 HydrophobicContact CE2-CG 4.07Å; F168-P174 HydrophobicContact CG-CG 4.48Å; F168-P174 HydrophobicContact CZ-CG 3.84Å; R171-P174 PolarHBondContact NH1-O 2.71Å; R171-P174 VanDerWaalsContact NH1-O 3.16Å; P174-F176 PolarHBondContact O-N 3.28Å
175	H	95.9	Very high	94.8	Very high	151 Å²	151	68.8 Å²	68.8	70%	0.699	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.6	177.4	-58.4	-69	0	0	0	113.7	L173 T200	L173-H175 PolarHBondContact O-N 3.02Å; L173-H175 VanDerWaalsContact O-N 3.14Å; H175-T200 HydrophobicContact CB-CG2 4.28Å
176	F	96.3	Very high	94.8	Very high	41 Å²	41	66.1 Å²	66.1	18%	0.18	34%	0.344	C	S	.	.	S	Bend	trans	-110.9	152.9	178.6	-56.7	-71.1	0	0	0	110.7	R171 L173 P174 A184 A185 T200 F204	R171-F176 WeakPolarHBondContact CD-O 3.44Å; R171-F176 PolarHBondContact NH1-O 2.79Å; L173-F176 HydrophobicContact CB-CD2 4.05Å; L173-F176 HydrophobicContact CB-CE2 4.31Å; L173-F176 HydrophobicContact CD1-CE2 4.42Å; L173-F176 PolarHBondContact O-N 2.78Å; P174-F176 PolarHBondContact O-N 3.28Å; F176-A184 WeakPolarHBondContact CZ-O 3.48Å; F176-A185 HydrophobicContact CB-CB 4.07Å; F176-A185 HydrophobicContact CD1-CB 3.75Å; F176-A185 HydrophobicContact CD2-CB 4.16Å; F176-A185 HydrophobicContact CE1-CB 4.2Å; F176-A185 HydrophobicContact CG-CB 3.73Å; F176-T200 HydrophobicContact CE2-CG2 4.07Å; F176-T200 HydrophobicContact CZ-CG2 4.07Å; F176-F204 AromaticContact CE2-CE2 3.89Å; F176-F204 HydrophobicContact CE2-CE2 3.89Å; F176-F204 AromaticContact CE2-CZ 3.9Å; F176-F204 HydrophobicContact CE2-CZ 3.9Å; F176-F204 HydrophobicContact CZ-CE2 4.33Å
177	E	95.8	Very high	94.8	Very high	153 Å²	153	62.5 Å²	62.5	72%	0.715	32%	0.324	S	S	*	.			trans	-65.5	152.8	176.2	-65.3	-56.4	149.3	0	0	111.7	S180	E177-S180 WeakPolarHBondContact O-CB 3.48Å; E177-S180 PolarHBondContact O-N 2.85Å; E177-S180 PolarHBondContact O-OG 3.22Å
178	K	94.7	Very high	94.9	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.439	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	142.7	175.4	-62.8	-169.3	-176.9	-167.3	0	110.1	E169 S180	E169-K178 IonicContact OE2-NZ 3.51Å; E169-K178 PolarHBondContact OE2-NZ 3.29Å; K178-S180 PolarHBondContact O-N 2.62Å; K178-S180 VanDerWaalsContact O-N 3.14Å
179	H	93.2	Very high	95	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.597	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	12.4	-177.6	-50.7	-77.9	0	0	0	115.3	N170 K181	N170-H179 WeakPolarHBondContact CB-CE1 3.36Å; N170-H179 PolarHBondContact ND2-CE1 3.26Å; N170-H179 PolarHBondContact ND2-NE2 2.92Å; N170-H179 PolarHBondContact O-N 2.85Å; H179-K181 PolarHBondContact O-N 2.63Å
180	S	93.7	Very high	95	Very high	24 Å²	24	48.9 Å²	48.9	17%	0.168	25%	0.247	C	C	.	.			trans	-69.5	119.9	178.2	59.5	0	0	0	0	111.2	E177 K178	E177-S180 WeakPolarHBondContact O-CB 3.48Å; E177-S180 PolarHBondContact O-N 2.85Å; E177-S180 PolarHBondContact O-OG 3.22Å; K178-S180 PolarHBondContact O-N 2.62Å; K178-S180 VanDerWaalsContact O-N 3.14Å
181	K	93.7	Very high	95	Very high	43 Å²	43	47.7 Å²	47.7	19%	0.187	24%	0.241	C	C	.	.			trans	-101.7	13.4	177.5	-61.7	-163.8	177.3	-155.7	0	113.4	I83 E100 L103 R163 H179	I83-K181 HydrophobicContact CD1-CB 4.3Å; I83-K181 HydrophobicContact CG1-CB 4.38Å; E100-K181 IonicContact OE2-NZ 2.88Å; E100-K181 PolarHBondContact OE2-NZ 2.77Å; L103-K181 HydrophobicContact CD2-CB 4.45Å; L103-K181 HydrophobicContact CD2-CD 3.69Å; R163-K181 PolarHBondContact NH2-O 3.31Å; H179-K181 PolarHBondContact O-N 2.63Å
182	L	94.6	Very high	95	Very high	75 Å²	75	45 Å²	45	39%	0.393	23%	0.231	S	C	.	.			trans	-57.8	150.3	179.9	-62.6	175.6	0	0	0	111.9	D80 I83 R163 A184 A185 K186	D80-L182 WeakPolarHBondContact OD1-CD2 3.43Å; I83-L182 HydrophobicContact CD1-CD2 3.96Å; R163-L182 PolarHBondContact NH2-O 3.44Å; L182-A184 PolarHBondContact O-N 2.91Å; L182-A185 HydrophobicContact CB-CB 4.2Å; L182-A185 PolarHBondContact O-N 3.38Å; L182-K186 PolarHBondContact O-N 2.9Å
183	P	94.8	Very high	95.1	Very high	4 Å²	4	49 Å²	49	3%	0.026	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-51.9	177.8	-30.5	37.6	0	0	0	113.6	Y76 C79 L111 A185 K186 G187 F188	Y76-P183 HydrophobicContact CD1-CB 4.2Å; Y76-P183 HydrophobicContact CD1-CG 3.86Å; Y76-P183 HydrophobicContact CE1-CB 3.76Å; Y76-P183 HydrophobicContact CE1-CG 3.96Å; C79-P183 HydrophobicContact CB-CG 4.02Å; L111-P183 HydrophobicContact CD1-CB 4.1Å; L111-P183 HydrophobicContact CD2-CB 3.86Å; L111-P183 HydrophobicContact CD2-CG 3.99Å; P183-A185 VanDerWaalsContact C-N 3.33Å; P183-A185 PolarHBondContact O-N 3.14Å; P183-K186 CarbonylContact O-C 3.58Å; P183-K186 PolarHBondContact O-N 2.87Å; P183-G187 PolarHBondContact O-N 2.84Å; P183-F188 HydrophobicContact CB-CB 3.79Å; P183-F188 HydrophobicContact CB-CD1 4.41Å; P183-F188 HydrophobicContact CB-CG 4.22Å; P183-F188 VanDerWaalsContact O-CB 3.3Å; P183-F188 WeakPolarHBondContact O-CB 3.33Å; P183-F188 PolarHBondContact O-N 2.71Å
184	A	95.1	Very high	95.1	Very high	46 Å²	46	52.8 Å²	52.8	38%	0.38	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64	-34.7	-178.9	0	0	0	0	0	113.2	F176 L182 K186 F204	F176-A184 WeakPolarHBondContact CZ-O 3.48Å; L182-A184 PolarHBondContact O-N 2.91Å; A184-K186 PolarHBondContact O-N 2.98Å; A184-F204 WeakPolarHBondContact O-CE2 3.45Å
185	A	94.9	Very high	95	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.5	-18.7	-179.9	0	0	0	0	0	113.5	S172 F176 L182 P183	S172-A185 VanDerWaalsContact CB-O 3.27Å; S172-A185 WeakPolarHBondContact CB-O 3.44Å; F176-A185 HydrophobicContact CB-CB 4.07Å; F176-A185 HydrophobicContact CD1-CB 3.75Å; F176-A185 HydrophobicContact CD2-CB 4.16Å; F176-A185 HydrophobicContact CE1-CB 4.2Å; F176-A185 HydrophobicContact CG-CB 3.73Å; L182-A185 HydrophobicContact CB-CB 4.2Å; L182-A185 PolarHBondContact O-N 3.38Å; P183-A185 VanDerWaalsContact C-N 3.33Å; P183-A185 PolarHBondContact O-N 3.14Å
186	K	94.4	Very high	95.1	Very high	20 Å²	20	47.2 Å²	47.2	9%	0.087	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-123.8	30.2	-176.2	-53.8	-75	-87.1	169.7	0	112.4	Q156 R163 V164 D166 L182 P183 A184	Q156-K186 PolarHBondContact NE2-O 3.14Å; R163-K186 HydrophobicContact CB-CB 4.21Å; R163-K186 VanDerWaalsContact CZ-CB 3.48Å; R163-K186 VanDerWaalsContact NH2-CB 3.3Å; V164-K186 PolarHBondContact N-O 2.94Å; V164-K186 VanDerWaalsContact O-CE 3.31Å; V164-K186 WeakPolarHBondContact O-CE 3.18Å; V164-K186 PolarHBondContact O-NZ 3.4Å; D166-K186 IonicContact OD1-NZ 2.74Å; D166-K186 PolarHBondContact OD1-NZ 3.04Å; D166-K186 IonicContact OD2-NZ 3.99Å; L182-K186 PolarHBondContact O-N 2.9Å; P183-K186 CarbonylContact O-C 3.58Å; P183-K186 PolarHBondContact O-N 2.87Å; A184-K186 PolarHBondContact O-N 2.98Å
187	G	93.3	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	21.1	166.5	0	0	0	0	0	117.1	Q156 Q157 P183	Q156-G187 PolarHBondContact NE2-O 3.45Å; Q157-G187 WeakPolarHBondContact CB-O 3.28Å; Q157-G187 WeakPolarHBondContact CG-O 3.38Å; Q157-G187 PolarHBondContact N-O 3.45Å; P183-G187 PolarHBondContact O-N 2.84Å
188	F	95.7	Very high	95.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.1	165	-172.4	-100.1	0	0	0	110.4	L72 Y76 L111 I114 Q156 P183 A190	L72-F188 HydrophobicContact CD2-CE1 3.79Å; L72-F188 HydrophobicContact CD2-CZ 4.25Å; Y76-F188 AromaticContact CE1-CD1 3.93Å; Y76-F188 HydrophobicContact CE1-CD1 3.93Å; Y76-F188 AromaticContact CE1-CE1 3.94Å; Y76-F188 HydrophobicContact CE1-CE1 3.94Å; Y76-F188 WeakPolarHBondContact OH-CD1 3.45Å; Y76-F188 WeakPolarHBondContact OH-CE1 3.33Å; L111-F188 HydrophobicContact CB-CD2 3.86Å; L111-F188 HydrophobicContact CB-CE2 3.82Å; L111-F188 HydrophobicContact CD1-CB 4.16Å; L111-F188 HydrophobicContact CD1-CD2 3.77Å; L111-F188 HydrophobicContact CD1-CG 4.17Å; L111-F188 HydrophobicContact CD2-CD1 4.41Å; L111-F188 HydrophobicContact CD2-CD2 3.72Å; L111-F188 HydrophobicContact CD2-CE1 4.5Å; L111-F188 HydrophobicContact CD2-CE2 3.83Å; L111-F188 HydrophobicContact CD2-CG 4.02Å; L111-F188 HydrophobicContact CD2-CZ 4.22Å; L111-F188 HydrophobicContact CG-CD2 3.96Å; L111-F188 HydrophobicContact CG-CE2 4.23Å; I114-F188 HydrophobicContact CD1-CZ 4.44Å; I114-F188 HydrophobicContact CG2-CZ 4.19Å; Q156-F188 HydrophobicContact CB-CD2 4.1Å; P183-F188 HydrophobicContact CB-CB 3.79Å; P183-F188 HydrophobicContact CB-CD1 4.41Å; P183-F188 HydrophobicContact CB-CG 4.22Å; P183-F188 VanDerWaalsContact O-CB 3.3Å; P183-F188 WeakPolarHBondContact O-CB 3.33Å; P183-F188 PolarHBondContact O-N 2.71Å; F188-A190 HydrophobicContact CD1-CB 4.39Å; F188-A190 HydrophobicContact CE1-CB 4.1Å
189	V	96.4	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	105.5	179	179.6	0	0	0	0	108.5	C153 V154 G155 Q157 L197 E201	C153-V189 PolarHBondContact SG-O 3.48Å; V154-V189 HydrophobicContact CB-CB 4.08Å; V154-V189 HydrophobicContact CB-CG1 3.79Å; V154-V189 HydrophobicContact CG1-CB 4.35Å; V154-V189 HydrophobicContact CG1-CG1 4.33Å; V154-V189 HydrophobicContact CG2-CG1 4.15Å; G155-V189 PolarHBondContact N-O 3.09Å; G155-V189 PolarHBondContact O-N 3.05Å; G155-V189 VanDerWaalsContact O-N 3.15Å; Q157-V189 HydrophobicContact CG-CG2 3.73Å; V189-L197 HydrophobicContact CG1-CD2 3.51Å; V189-E201 WeakPolarHBondContact CA-OE1 3.44Å; V189-E201 HydrophobicContact CB-CB 4.45Å; V189-E201 HydrophobicContact CB-CG 4.33Å; V189-E201 HydrophobicContact CG1-CB 4.05Å; V189-E201 HydrophobicContact CG1-CG 4.15Å; V189-E201 HydrophobicContact CG2-CB 3.9Å; V189-E201 HydrophobicContact CG2-CG 4.08Å
190	A	95.1	Very high	95.5	Very high	15 Å²	15	38.4 Å²	38.4	12%	0.124	23%	0.225	C	C	.	.			trans	-78.8	-31.9	-177.5	0	0	0	0	0	111.2	K68 L72 C153 F188 E201	K68-A190 WeakPolarHBondContact CE-O 3.49Å; K68-A190 PolarHBondContact NZ-O 3.17Å; L72-A190 HydrophobicContact CD1-CB 4.2Å; L72-A190 HydrophobicContact CD2-CB 4.19Å; C153-A190 PolarHBondContact SG-O 3.37Å; F188-A190 HydrophobicContact CD1-CB 4.39Å; F188-A190 HydrophobicContact CE1-CB 4.1Å; A190-E201 PolarHBondContact N-OE1 3.29Å
191	D	95.7	Very high	95.6	Very high	47 Å²	47	38.1 Å²	38.1	25%	0.251	22%	0.22	S	C	.	.	S	Bend	trans	-69.9	158.6	177.9	-83	-55.4	0	0	0	113.4	V154 S195 G196 L197	V154-D191 VanDerWaalsContact CG2-O 3.26Å; V154-D191 WeakPolarHBondContact CG2-O 3.32Å; V154-D191 PolarHBondContact N-O 3.32Å; V154-D191 VanDerWaalsContact N-O 3.11Å; D191-S195 WeakPolarHBondContact CB-OG 3.5Å; D191-S195 WeakPolarHBondContact OD1-CB 3.3Å; D191-S195 PolarHBondContact OD1-OG 3.21Å; D191-G196 WeakPolarHBondContact CB-O 3.35Å; D191-L197 HydrophobicContact CB-CD2 4.25Å
192	S	95.9	Very high	95.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	24%	0.237	C	C	.	.			trans	-102.9	166	172.7	68.3	0	0	0	0	109.8	M150 I151 Y194 S195 G196	M150-S192 WeakPolarHBondContact O-CB 3.36Å; M150-S192 PolarHBondContact O-OG 3.3Å; I151-S192 WeakPolarHBondContact O-CB 3.5Å; I151-S192 PolarHBondContact O-OG 3.47Å; I151-S192 VanDerWaalsContact O-OG 3.07Å; S192-Y194 PolarHBondContact O-N 3.29Å; S192-S195 PolarHBondContact N-OG 3.09Å; S192-S195 PolarHBondContact O-N 2.98Å; S192-S195 PolarHBondContact O-OG 3.35Å; S192-S195 PolarHBondContact OG-N 3.48Å; S192-G196 PolarHBondContact O-N 3.15Å
193	F	96.3	Very high	95.9	Very high	93 Å²	93	43.4 Å²	43.4	41%	0.408	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.2	174.6	-63.1	-59.2	0	0	0	112.7	Q149 M150 V154 L197 H205	Q149-F193 HydrophobicContact CB-CD2 4.46Å; Q149-F193 HydrophobicContact CB-CE2 4.11Å; Q149-F193 PolarHBondContact O-N 2.96Å; M150-F193 HydrophobicContact CG-CD2 4.01Å; V154-F193 HydrophobicContact CG1-CZ 4.3Å; V154-F193 HydrophobicContact CG2-CD1 4.31Å; V154-F193 HydrophobicContact CG2-CD2 4.29Å; V154-F193 HydrophobicContact CG2-CE1 4.13Å; V154-F193 HydrophobicContact CG2-CE2 4.11Å; V154-F193 HydrophobicContact CG2-CG 4.4Å; V154-F193 HydrophobicContact CG2-CZ 4.02Å; F193-L197 HydrophobicContact CE1-CD1 4.39Å; F193-H205 AromaticContact CE1-NE2 3.67Å; F193-H205 AromaticContact CZ-CE1 3.88Å; F193-H205 AromaticContact CZ-NE2 3.72Å
194	Y	95.9	Very high	95.9	Very high	98 Å²	98	43.3 Å²	43.3	38%	0.384	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-47.9	172.6	-179	-88	0	0	0	112.8	I55 V58 T59 P60 M150 S192 G196	I55-Y194 HydrophobicContact CD1-CD2 3.91Å; I55-Y194 HydrophobicContact CD1-CE2 3.8Å; I55-Y194 HydrophobicContact CG1-CE2 3.92Å; V58-Y194 HydrophobicContact CG2-CD2 4.13Å; V58-Y194 WeakPolarHBondContact O-CD2 3.49Å; T59-Y194 HydrophobicContact CG2-CE1 4.44Å; T59-Y194 HydrophobicContact CG2-CE2 4.31Å; T59-Y194 WeakPolarHBondContact CG2-OH 3.29Å; T59-Y194 VanDerWaalsContact OG1-CE2 3.26Å; T59-Y194 WeakPolarHBondContact OG1-CE2 3.36Å; T59-Y194 PolarHBondContact OG1-OH 2.68Å; P60-Y194 HydrophobicContact CG-CD1 4.01Å; P60-Y194 HydrophobicContact CG-CE1 4.24Å; M150-Y194 WeakPolarHBondContact O-CB 3.23Å; M150-Y194 PolarHBondContact O-N 2.88Å; M150-Y194 VanDerWaalsContact O-N 3.13Å; S192-Y194 PolarHBondContact O-N 3.29Å; Y194-G196 VanDerWaalsContact C-N 3.26Å; Y194-G196 PolarHBondContact O-N 2.93Å
195	S	94.6	Very high	96	Very high	63 Å²	63	43.8 Å²	43.8	44%	0.441	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.4	-180	58.3	0	0	0	0	112.4	D191 S192	D191-S195 WeakPolarHBondContact CB-OG 3.5Å; D191-S195 WeakPolarHBondContact OD1-CB 3.3Å; D191-S195 PolarHBondContact OD1-OG 3.21Å; S192-S195 PolarHBondContact N-OG 3.09Å; S192-S195 PolarHBondContact O-N 2.98Å; S192-S195 PolarHBondContact O-OG 3.35Å; S192-S195 PolarHBondContact OG-N 3.48Å
196	G	96.3	Very high	96	Very high	35 Å²	35	46.3 Å²	46.3	36%	0.361	25%	0.25	S	C	.	.			trans	92.2	140.4	-177.8	0	0	0	0	0	111.2	D191 S192 Y194	D191-G196 WeakPolarHBondContact CB-O 3.35Å; S192-G196 PolarHBondContact O-N 3.15Å; Y194-G196 VanDerWaalsContact C-N 3.26Å; Y194-G196 PolarHBondContact O-N 2.93Å
197	L	96.9	Very high	95.9	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.209	26%	0.26	C	S	.	.			trans	-82.3	141	-175.5	-54.6	-173.8	0	0	0	111.2	V154 V189 D191 F193 E201 F202 H205	V154-L197 HydrophobicContact CG2-CD2 4.27Å; V189-L197 HydrophobicContact CG1-CD2 3.51Å; D191-L197 HydrophobicContact CB-CD2 4.25Å; F193-L197 HydrophobicContact CE1-CD1 4.39Å; L197-E201 HydrophobicContact CB-CB 4.34Å; L197-F202 HydrophobicContact CB-CB 4.15Å; L197-F202 HydrophobicContact CD1-CD2 4.44Å; L197-H205 HydrophobicContact CD1-CB 4.1Å
198	T	97.2	Very high	95.7	Very high	53 Å²	53	49.3 Å²	49.3	33%	0.325	27%	0.268	S	S	.	.			trans	-68.2	162	168.2	64.9	0	0	0	0	111.4	T200 E201 F202	T198-T200 VanDerWaalsContact C-N 3.33Å; T198-T200 PolarHBondContact O-N 3.4Å; T198-E201 WeakPolarHBondContact CB-OE2 3.11Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.26Å; T198-E201 PolarHBondContact N-OE2 3.2Å; T198-E201 PolarHBondContact O-N 2.85Å; T198-E201 WeakPolarHBondContact OG1-CB 3.48Å; T198-E201 WeakPolarHBondContact OG1-CG 3.3Å; T198-E201 PolarHBondContact OG1-OE2 3Å; T198-F202 VanDerWaalsContact O-CB 3.32Å; T198-F202 WeakPolarHBondContact O-CB 3.5Å; T198-F202 PolarHBondContact O-N 2.89Å
199	P	97.8	Very high	95.4	Very high	114 Å²	114	51.1 Å²	51.1	74%	0.74	29%	0.287	S	S	*	.	H	α-helix	trans	-58	-38.8	-176.8	-28	36	0	0	0	114.9	F203	P199-F203 PolarHBondContact O-N 3.14Å; P199-F203 VanDerWaalsContact O-N 3.16Å
200	T	96.7	Very high	95.2	Very high	33 Å²	33	59.3 Å²	59.3	20%	0.202	32%	0.318	C	S	.	.	H	α-helix	trans	-71.3	-44.2	178.1	45.4	0	0	0	0	111.5	L173 H175 F176 T198 F203 F204	L173-T200 HydrophobicContact CD1-CG2 4.04Å; H175-T200 HydrophobicContact CB-CG2 4.28Å; F176-T200 HydrophobicContact CE2-CG2 4.07Å; F176-T200 HydrophobicContact CZ-CG2 4.07Å; T198-T200 VanDerWaalsContact C-N 3.33Å; T198-T200 PolarHBondContact O-N 3.4Å; T200-F203 WeakPolarHBondContact O-CB 3.39Å; T200-F203 PolarHBondContact O-N 3.07Å; T200-F204 WeakPolarHBondContact O-CD2 3.38Å; T200-F204 WeakPolarHBondContact O-CG 3.39Å; T200-F204 PolarHBondContact O-N 3.09Å
201	E	96.8	Very high	94.7	Very high	17 Å²	17	61.8 Å²	61.8	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-43.2	174.8	-72.7	174.7	139.6	0	0	112.2	V189 A190 L197 T198 F203 F204 H205	V189-E201 WeakPolarHBondContact CA-OE1 3.44Å; V189-E201 HydrophobicContact CB-CB 4.45Å; V189-E201 HydrophobicContact CB-CG 4.33Å; V189-E201 HydrophobicContact CG1-CB 4.05Å; V189-E201 HydrophobicContact CG1-CG 4.15Å; V189-E201 HydrophobicContact CG2-CB 3.9Å; V189-E201 HydrophobicContact CG2-CG 4.08Å; A190-E201 PolarHBondContact N-OE1 3.29Å; L197-E201 HydrophobicContact CB-CB 4.34Å; T198-E201 WeakPolarHBondContact CB-OE2 3.11Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.26Å; T198-E201 PolarHBondContact N-OE2 3.2Å; T198-E201 PolarHBondContact O-N 2.85Å; T198-E201 WeakPolarHBondContact OG1-CB 3.48Å; T198-E201 WeakPolarHBondContact OG1-CG 3.3Å; T198-E201 PolarHBondContact OG1-OE2 3Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.89Å; E201-F204 PolarHBondContact O-N 3.25Å; E201-H205 WeakPolarHBondContact O-CB 3.26Å; E201-H205 PolarHBondContact O-N 3.13Å
202	F	97.4	Very high	94	Very high	123 Å²	123	61.3 Å²	61.3	54%	0.539	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-42	176.2	178.3	-97.8	0	0	0	111.4	L197 T198 H205 T206	L197-F202 HydrophobicContact CB-CB 4.15Å; L197-F202 HydrophobicContact CD1-CD2 4.44Å; T198-F202 VanDerWaalsContact O-CB 3.32Å; T198-F202 WeakPolarHBondContact O-CB 3.5Å; T198-F202 PolarHBondContact O-N 2.89Å; F202-H205 PolarHBondContact O-N 3.35Å; F202-T206 WeakPolarHBondContact O-CB 3.28Å; F202-T206 PolarHBondContact O-N 2.68Å; F202-T206 PolarHBondContact O-OG1 2.93Å
203	F	96.8	Very high	93.6	Very high	107 Å²	107	67.3 Å²	67.3	47%	0.469	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-49.4	176.6	-170.5	-97	0	0	0	111.5	L173 P199 T200 E201 H205 T206 M207	L173-F203 HydrophobicContact CD1-CD1 4.16Å; L173-F203 HydrophobicContact CD2-CD1 4.07Å; L173-F203 HydrophobicContact CD2-CE1 3.97Å; P199-F203 PolarHBondContact O-N 3.14Å; P199-F203 VanDerWaalsContact O-N 3.16Å; T200-F203 WeakPolarHBondContact O-CB 3.39Å; T200-F203 PolarHBondContact O-N 3.07Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.89Å; F203-H205 PolarHBondContact O-N 2.89Å; F203-T206 WeakPolarHBondContact O-CB 3.28Å; F203-T206 PolarHBondContact O-N 2.82Å; F203-M207 HydrophobicContact CD1-CG 4.22Å; F203-M207 HydrophobicContact CD1-SD 3.73Å; F203-M207 HydrophobicContact CE1-CG 4Å; F203-M207 HydrophobicContact CE1-SD 3.42Å; F203-M207 WeakPolarHBondContact CE1-SD 3.46Å; F203-M207 HydrophobicContact CZ-SD 4.36Å; F203-M207 WeakPolarHBondContact O-CG 3.3Å; F203-M207 PolarHBondContact O-N 2.9Å
204	F	95.6	Very high	93.2	Very high	1 Å²	1	66.9 Å²	66.9	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-40.5	178	-63.9	-41.8	0	0	0	112.9	V164 S172 L173 F176 A184 T200 E201 T206 M207 A208	V164-F204 HydrophobicContact CB-CD1 4.28Å; V164-F204 HydrophobicContact CB-CE1 4.41Å; V164-F204 HydrophobicContact CG1-CD1 3.8Å; V164-F204 HydrophobicContact CG1-CE1 3.85Å; V164-F204 HydrophobicContact CG2-CB 4.34Å; V164-F204 HydrophobicContact CG2-CD1 3.93Å; V164-F204 HydrophobicContact CG2-CG 4.24Å; S172-F204 VanDerWaalsContact OG-CE1 3.25Å; S172-F204 WeakPolarHBondContact OG-CE1 3.42Å; L173-F204 HydrophobicContact CD1-CE1 3.82Å; L173-F204 HydrophobicContact CD1-CE2 4.31Å; L173-F204 HydrophobicContact CD1-CZ 3.65Å; L173-F204 HydrophobicContact CG-CE1 3.99Å; L173-F204 HydrophobicContact CG-CZ 3.99Å; F176-F204 AromaticContact CE2-CE2 3.89Å; F176-F204 HydrophobicContact CE2-CE2 3.89Å; F176-F204 AromaticContact CE2-CZ 3.9Å; F176-F204 HydrophobicContact CE2-CZ 3.9Å; F176-F204 HydrophobicContact CZ-CE2 4.33Å; A184-F204 WeakPolarHBondContact O-CE2 3.45Å; T200-F204 WeakPolarHBondContact O-CD2 3.38Å; T200-F204 WeakPolarHBondContact O-CG 3.39Å; T200-F204 PolarHBondContact O-N 3.09Å; E201-F204 PolarHBondContact O-N 3.25Å; F204-T206 VanDerWaalsContact C-N 3.33Å; F204-T206 PolarHBondContact O-N 3.42Å; F204-M207 HydrophobicContact CD1-SD 4.16Å; F204-M207 PolarHBondContact O-N 3.21Å; F204-A208 PolarHBondContact O-N 3.1Å; F204-A208 VanDerWaalsContact O-N 3.16Å
205	H	95.5	Very high	92.6	Very high	56 Å²	56	63.3 Å²	63.3	26%	0.259	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-41.4	174.7	-175.2	56.6	0	0	0	111.7	Q157 F193 L197 E201 F202 F203 M207 A208 G209	Q157-H205 HydrophobicContact CG-CB 4.45Å; Q157-H205 PolarHBondContact OE1-ND1 3.14Å; F193-H205 AromaticContact CE1-NE2 3.67Å; F193-H205 AromaticContact CZ-CE1 3.88Å; F193-H205 AromaticContact CZ-NE2 3.72Å; L197-H205 HydrophobicContact CD1-CB 4.1Å; E201-H205 WeakPolarHBondContact O-CB 3.26Å; E201-H205 PolarHBondContact O-N 3.13Å; F202-H205 PolarHBondContact O-N 3.35Å; F203-H205 PolarHBondContact O-N 2.89Å; H205-M207 PolarHBondContact O-N 2.87Å; H205-A208 PolarHBondContact O-N 3.14Å; H205-G209 PolarHBondContact O-N 3.08Å
206	T	95.9	Very high	92	Very high	55 Å²	55	64.5 Å²	64.5	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-38	176.9	-57.9	0	0	0	0	111.9	F202 F203 F204 G209 R210	F202-T206 WeakPolarHBondContact O-CB 3.28Å; F202-T206 PolarHBondContact O-N 2.68Å; F202-T206 PolarHBondContact O-OG1 2.93Å; F203-T206 WeakPolarHBondContact O-CB 3.28Å; F203-T206 PolarHBondContact O-N 2.82Å; F204-T206 VanDerWaalsContact C-N 3.33Å; F204-T206 PolarHBondContact O-N 3.42Å; T206-G209 PolarHBondContact O-N 2.91Å; T206-R210 WeakPolarHBondContact O-CB 3.5Å; T206-R210 PolarHBondContact O-N 2.92Å
207	M	92.5	Very high	91.4	Very high	63 Å²	63	66.3 Å²	66.3	31%	0.31	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-50.4	175.1	-69.6	175.7	72.3	0	0	111.4	I159 V164 F203 F204 H205 G209 R210 E211	I159-M207 HydrophobicContact CD1-CB 3.68Å; I159-M207 HydrophobicContact CD1-CE 3.79Å; I159-M207 HydrophobicContact CD1-SD 4.44Å; V164-M207 HydrophobicContact CG1-CE 4.11Å; V164-M207 HydrophobicContact CG1-SD 4.25Å; F203-M207 HydrophobicContact CD1-CG 4.22Å; F203-M207 HydrophobicContact CD1-SD 3.73Å; F203-M207 HydrophobicContact CE1-CG 4Å; F203-M207 HydrophobicContact CE1-SD 3.42Å; F203-M207 WeakPolarHBondContact CE1-SD 3.46Å; F203-M207 HydrophobicContact CZ-SD 4.36Å; F203-M207 WeakPolarHBondContact O-CG 3.3Å; F203-M207 PolarHBondContact O-N 2.9Å; F204-M207 HydrophobicContact CD1-SD 4.16Å; F204-M207 PolarHBondContact O-N 3.21Å; H205-M207 PolarHBondContact O-N 2.87Å; M207-G209 VanDerWaalsContact C-N 3.34Å; M207-G209 PolarHBondContact O-N 3.33Å; M207-R210 PolarHBondContact O-N 3.48Å; M207-E211 PolarHBondContact O-N 3.49Å
208	A	88.6	Confident	90.8	Very high	20 Å²	20	67.4 Å²	67.4	17%	0.165	38%	0.381	C	S	.	.	H	α-helix	trans	-63.6	-39.3	177.5	0	0	0	0	0	112.2	Q157 I159 F204 H205 R210 E211 G212	Q157-A208 HydrophobicContact CB-CB 4.09Å; I159-A208 HydrophobicContact CG1-CB 4.38Å; F204-A208 PolarHBondContact O-N 3.1Å; F204-A208 VanDerWaalsContact O-N 3.16Å; H205-A208 PolarHBondContact O-N 3.14Å; A208-R210 VanDerWaalsContact C-N 3.34Å; A208-R210 PolarHBondContact O-N 3.49Å; A208-E211 PolarHBondContact O-N 3.16Å; A208-G212 PolarHBondContact O-N 3.37Å
209	G	89.8	Confident	90	Very high	38 Å²	38	65.7 Å²	65.7	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-38.8	175.1	0	0	0	0	0	113.2	H205 T206 M207 G212 L213	H205-G209 PolarHBondContact O-N 3.08Å; T206-G209 PolarHBondContact O-N 2.91Å; M207-G209 VanDerWaalsContact C-N 3.34Å; M207-G209 PolarHBondContact O-N 3.33Å; G209-G212 PolarHBondContact O-N 3.32Å; G209-L213 PolarHBondContact O-N 3Å
210	R	91.6	Very high	89.3	Confident	171 Å²	171	65.1 Å²	65.1	65%	0.645	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-36.3	178.5	-172.1	177.6	-68.8	-175.7	-0.5	112.4	T206 M207 A208 G212 L213 V214	T206-R210 WeakPolarHBondContact O-CB 3.5Å; T206-R210 PolarHBondContact O-N 2.92Å; M207-R210 PolarHBondContact O-N 3.48Å; A208-R210 VanDerWaalsContact C-N 3.34Å; A208-R210 PolarHBondContact O-N 3.49Å; R210-G212 VanDerWaalsContact C-N 3.34Å; R210-G212 PolarHBondContact O-N 3.45Å; R210-L213 PolarHBondContact O-N 3.3Å; R210-V214 HydrophobicContact CG-CG2 4.39Å; R210-V214 WeakPolarHBondContact O-CG2 3.26Å; R210-V214 PolarHBondContact O-N 3.19Å
211	E	85.2	Confident	88.8	Confident	67 Å²	67	67 Å²	67	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-47.6	174.9	-174.2	-178.7	-167.8	0	0	110.9	I159 S160 M207 A208 L213 V214 D215	I159-E211 VanDerWaalsContact CA-OE2 3.25Å; I159-E211 WeakPolarHBondContact CA-OE2 3.44Å; S160-E211 VanDerWaalsContact CA-OE1 3.23Å; S160-E211 WeakPolarHBondContact CA-OE1 3.31Å; S160-E211 PolarHBondContact N-OE1 3.1Å; S160-E211 PolarHBondContact N-OE2 2.82Å; S160-E211 PolarHBondContact OG-OE1 3.09Å; M207-E211 PolarHBondContact O-N 3.49Å; A208-E211 PolarHBondContact O-N 3.16Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.41Å; E211-V214 PolarHBondContact O-N 3.42Å; E211-D215 WeakPolarHBondContact O-CB 3.48Å; E211-D215 PolarHBondContact O-N 2.88Å
212	G	80.6	Confident	88.1	Confident	37 Å²	37	69.7 Å²	69.7	38%	0.381	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-33.6	177.8	0	0	0	0	0	114.3	A208 G209 R210 T216	A208-G212 PolarHBondContact O-N 3.37Å; G209-G212 PolarHBondContact O-N 3.32Å; R210-G212 VanDerWaalsContact C-N 3.34Å; R210-G212 PolarHBondContact O-N 3.45Å; G212-T216 PolarHBondContact O-N 3.02Å; G212-T216 PolarHBondContact O-OG1 3.21Å
213	L	88.1	Confident	87.6	Confident	130 Å²	130	64 Å²	64	68%	0.681	37%	0.37	S	S	*	.	H	α-helix	trans	-68.8	-43.9	174.7	-73.2	164.2	0	0	0	111.7	G209 R210 E211 T216 A217	G209-L213 PolarHBondContact O-N 3Å; R210-L213 PolarHBondContact O-N 3.3Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.41Å; L213-T216 PolarHBondContact O-N 3.48Å; L213-A217 PolarHBondContact O-N 3.41Å
214	V	88.4	Confident	87.3	Confident	83 Å²	83	60.6 Å²	60.6	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-42.1	177	168.3	0	0	0	0	111.1	R210 E211 T216 A217 V218	R210-V214 HydrophobicContact CG-CG2 4.39Å; R210-V214 WeakPolarHBondContact O-CG2 3.26Å; R210-V214 PolarHBondContact O-N 3.19Å; E211-V214 PolarHBondContact O-N 3.42Å; V214-T216 PolarHBondContact O-N 2.62Å; V214-A217 WeakPolarHBondContact O-CB 3.43Å; V214-A217 PolarHBondContact O-N 3.03Å; V214-V218 HydrophobicContact CG1-CG2 4.16Å; V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.14Å
215	D	82.7	Confident	87.1	Confident	24 Å²	24	65.3 Å²	65.3	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-52.2	-43.7	175.1	-179.2	49.2	0	0	0	111.1	E211 K219 L405	E211-D215 WeakPolarHBondContact O-CB 3.48Å; E211-D215 PolarHBondContact O-N 2.88Å; D215-K219 WeakPolarHBondContact O-CB 3.47Å; D215-K219 WeakPolarHBondContact O-CG 3.5Å; D215-K219 PolarHBondContact O-N 3.31Å; D215-K219 WeakPolarHBondContact OD1-CE 3.41Å; D215-K219 IonicContact OD1-NZ 3.91Å; D215-K219 WeakPolarHBondContact OD2-CE 3.48Å; D215-K219 IonicContact OD2-NZ 2.73Å; D215-K219 PolarHBondContact OD2-NZ 2.96Å; D215-L405 WeakPolarHBondContact OD1-CB 3.26Å; D215-L405 WeakPolarHBondContact OD1-CD1 3.3Å; D215-L405 WeakPolarHBondContact OD1-CG 3.38Å; D215-L405 PolarHBondContact OD1-N 3Å; D215-L405 VanDerWaalsContact OD1-N 3.11Å
216	T	81.3	Confident	86.9	Confident	88 Å²	88	63.1 Å²	63.1	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-41.6	176.7	-54.6	0	0	0	0	112.6	G212 L213 V214 T220	G212-T216 PolarHBondContact O-N 3.02Å; G212-T216 PolarHBondContact O-OG1 3.21Å; L213-T216 PolarHBondContact O-N 3.48Å; V214-T216 PolarHBondContact O-N 2.62Å; T216-T220 PolarHBondContact O-OG1 2.79Å; T216-T220 VanDerWaalsContact O-OG1 3.12Å
217	A	84.8	Confident	86.7	Confident	72 Å²	72	63.2 Å²	63.2	60%	0.595	37%	0.37	S	S	*	.	H	α-helix	trans	-66.8	-42.6	179.9	0	0	0	0	0	112.2	L213 V214	L213-A217 PolarHBondContact O-N 3.41Å; V214-A217 WeakPolarHBondContact O-CB 3.43Å; V214-A217 PolarHBondContact O-N 3.03Å
218	V	83.6	Confident	86.8	Confident	63 Å²	63	65 Å²	65	38%	0.382	37%	0.373	S	S	.	.	H	α-helix	trans	-71.2	-43.3	-178.6	175.2	0	0	0	0	111.5	V214 T220 A221 E222 L405	V214-V218 HydrophobicContact CG1-CG2 4.16Å; V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.14Å; V218-T220 VanDerWaalsContact C-N 3.26Å; V218-T220 PolarHBondContact O-N 3.07Å; V218-A221 PolarHBondContact O-N 2.85Å; V218-E222 HydrophobicContact CG1-CG 4.39Å; V218-E222 PolarHBondContact O-N 3.24Å; V218-L405 HydrophobicContact CB-CD1 4.49Å; V218-L405 HydrophobicContact CG1-CD1 4.31Å
219	K	79.8	Confident	87.1	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.078	37%	0.368	C	S	.	.	H	α-helix	trans	-55.7	-39.6	-177.8	-82.1	179.5	-150.2	166.9	0	113.7	D215 A221 E222 T223 M403 L405	D215-K219 WeakPolarHBondContact O-CB 3.47Å; D215-K219 WeakPolarHBondContact O-CG 3.5Å; D215-K219 PolarHBondContact O-N 3.31Å; D215-K219 WeakPolarHBondContact OD1-CE 3.41Å; D215-K219 IonicContact OD1-NZ 3.91Å; D215-K219 WeakPolarHBondContact OD2-CE 3.48Å; D215-K219 IonicContact OD2-NZ 2.73Å; D215-K219 PolarHBondContact OD2-NZ 2.96Å; K219-A221 PolarHBondContact O-N 3.09Å; K219-E222 PolarHBondContact O-N 3.48Å; K219-T223 VanDerWaalsContact O-CB 3.31Å; K219-T223 WeakPolarHBondContact O-CB 3.1Å; K219-T223 VanDerWaalsContact O-CG2 3.26Å; K219-T223 WeakPolarHBondContact O-CG2 3.34Å; K219-T223 PolarHBondContact O-N 3.11Å; K219-T223 PolarHBondContact O-OG1 3.17Å; K219-M403 VanDerWaalsContact CD-O 3.24Å; K219-M403 WeakPolarHBondContact CD-O 3.4Å; K219-M403 WeakPolarHBondContact CE-O 3.41Å; K219-M403 PolarHBondContact NZ-O 3.22Å; K219-L405 HydrophobicContact CG-CD1 4.49Å; K219-L405 HydrophobicContact CG-CG 4.19Å
220	T	82.9	Confident	87.3	Confident	102 Å²	102	63 Å²	63	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-58	-41	-174.7	-55.6	0	0	0	0	111.1	T216 V218 G224	T216-T220 PolarHBondContact O-OG1 2.79Å; T216-T220 VanDerWaalsContact O-OG1 3.12Å; V218-T220 VanDerWaalsContact C-N 3.26Å; V218-T220 PolarHBondContact O-N 3.07Å; T220-G224 PolarHBondContact O-N 3.46Å
221	A	86.2	Confident	87.5	Confident	72 Å²	72	56.8 Å²	56.8	60%	0.595	33%	0.331	S	S	*	.	H	α-helix	trans	-72.8	-46.1	178.3	0	0	0	0	0	112.4	V218 K219 Y225	V218-A221 PolarHBondContact O-N 2.85Å; K219-A221 PolarHBondContact O-N 3.09Å; A221-Y225 PolarHBondContact O-N 3.35Å; A221-Y225 VanDerWaalsContact O-N 3.13Å
222	E	83.4	Confident	88	Confident	74 Å²	74	55.3 Å²	55.3	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-45.6	-176.6	-68.2	-157.9	131.5	0	0	112.7	V218 K219 Y225 M226	V218-E222 HydrophobicContact CG1-CG 4.39Å; V218-E222 PolarHBondContact O-N 3.24Å; K219-E222 PolarHBondContact O-N 3.48Å; E222-Y225 PolarHBondContact O-N 3.43Å; E222-M226 WeakPolarHBondContact O-CB 3.49Å; E222-M226 PolarHBondContact O-N 3.24Å
223	T	87.1	Confident	88.7	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-39.2	-179	58.2	0	0	0	0	111.3	K219 Y225 M226 Q227 G400 T401 V422	K219-T223 VanDerWaalsContact O-CB 3.31Å; K219-T223 WeakPolarHBondContact O-CB 3.1Å; K219-T223 VanDerWaalsContact O-CG2 3.26Å; K219-T223 WeakPolarHBondContact O-CG2 3.34Å; K219-T223 PolarHBondContact O-N 3.11Å; K219-T223 PolarHBondContact O-OG1 3.17Å; T223-Y225 PolarHBondContact O-N 2.96Å; T223-M226 WeakPolarHBondContact O-CB 3.42Å; T223-M226 PolarHBondContact O-N 3.01Å; T223-Q227 WeakPolarHBondContact O-CB 3.47Å; T223-Q227 PolarHBondContact O-N 3.34Å; T223-G400 WeakPolarHBondContact CG2-O 3.49Å; T223-T401 HydrophobicContact CG2-CG2 4.43Å; T223-T401 WeakPolarHBondContact OG1-CG2 3.2Å; T223-V422 HydrophobicContact CG2-CG1 4.29Å; T223-V422 HydrophobicContact CG2-CG2 4.1Å
224	G	89.9	Confident	89.1	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-43.6	174.9	0	0	0	0	0	112.6	T220 Q227 R228	T220-G224 PolarHBondContact O-N 3.46Å; G224-Q227 PolarHBondContact O-N 3.06Å; G224-R228 WeakPolarHBondContact O-CB 3.32Å; G224-R228 PolarHBondContact O-N 3.22Å
225	Y	90.6	Very high	89.4	Confident	101 Å²	101	44.4 Å²	44.4	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-40.7	175.6	-179.7	-110	0	0	0	112.1	A221 E222 T223 R228 R229 E677	A221-Y225 PolarHBondContact O-N 3.35Å; A221-Y225 VanDerWaalsContact O-N 3.13Å; E222-Y225 PolarHBondContact O-N 3.43Å; T223-Y225 PolarHBondContact O-N 2.96Å; Y225-R228 PolarHBondContact O-N 3.24Å; Y225-R229 VanDerWaalsContact CE1-CD 3.43Å; Y225-R229 HydrophobicContact CE1-CG 4.37Å; Y225-R229 HydrophobicContact CE2-CG 4.42Å; Y225-R229 WeakPolarHBondContact O-CG 3.4Å; Y225-R229 PolarHBondContact O-N 3.28Å; Y225-R229 VanDerWaalsContact O-N 3.15Å; Y225-E677 PolarHBondContact OH-OE1 2.9Å
226	M	91.1	Very high	90.1	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.044	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-48.3	173.8	-178.6	-177.6	75.2	0	0	111.9	E222 T223 R228 R229 L230 V422 I425 I429	E222-M226 WeakPolarHBondContact O-CB 3.49Å; E222-M226 PolarHBondContact O-N 3.24Å; T223-M226 WeakPolarHBondContact O-CB 3.42Å; T223-M226 PolarHBondContact O-N 3.01Å; M226-R228 PolarHBondContact O-N 2.73Å; M226-R229 WeakPolarHBondContact O-CB 3.41Å; M226-R229 PolarHBondContact O-N 2.73Å; M226-L230 HydrophobicContact CG-CD1 4.37Å; M226-L230 PolarHBondContact O-N 2.97Å; M226-V422 HydrophobicContact SD-CG1 4.36Å; M226-I425 HydrophobicContact SD-CG2 3.87Å; M226-I429 HydrophobicContact CG-CD1 3.56Å; M226-I429 HydrophobicContact SD-CD1 4.08Å
227	Q	93.7	Very high	90.8	Very high	57 Å²	57	39.5 Å²	39.5	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-43	178.8	-175.3	177.3	-0.3	0	0	111.6	T223 G224 R229 L230 V231	T223-Q227 WeakPolarHBondContact O-CB 3.47Å; T223-Q227 PolarHBondContact O-N 3.34Å; G224-Q227 PolarHBondContact O-N 3.06Å; Q227-R229 PolarHBondContact O-N 3.08Å; Q227-L230 PolarHBondContact O-N 3.46Å; Q227-V231 HydrophobicContact CG-CG2 4.4Å; Q227-V231 WeakPolarHBondContact O-CG2 3.32Å; Q227-V231 PolarHBondContact O-N 3.45Å
228	R	93.2	Very high	91.4	Very high	102 Å²	102	36.2 Å²	36.2	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-54.3	-42.9	174.9	-179.9	-178.4	179.7	-108.9	-1.6	111.7	G224 Y225 M226 K232 S675 F676	G224-R228 WeakPolarHBondContact O-CB 3.32Å; G224-R228 PolarHBondContact O-N 3.22Å; Y225-R228 PolarHBondContact O-N 3.24Å; M226-R228 PolarHBondContact O-N 2.73Å; R228-K232 WeakPolarHBondContact O-CG 3.29Å; R228-K232 PolarHBondContact O-N 3.23Å; R228-K232 VanDerWaalsContact O-N 3.12Å; R228-S675 PolarHBondContact NH2-O 3.4Å; R228-F676 PolarHBondContact NH1-O 3.37Å; R228-F676 PolarHBondContact NH2-O 2.88Å
229	R	94.2	Very high	92.1	Very high	14 Å²	14	33.3 Å²	33.3	5%	0.053	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-45.6	178.9	-70.5	178.6	51.4	-161.9	-11.9	112.4	Y225 M226 Q227 K232 S233 N430 I658 T659 F676	Y225-R229 VanDerWaalsContact CE1-CD 3.43Å; Y225-R229 HydrophobicContact CE1-CG 4.37Å; Y225-R229 HydrophobicContact CE2-CG 4.42Å; Y225-R229 WeakPolarHBondContact O-CG 3.4Å; Y225-R229 PolarHBondContact O-N 3.28Å; Y225-R229 VanDerWaalsContact O-N 3.15Å; M226-R229 WeakPolarHBondContact O-CB 3.41Å; M226-R229 PolarHBondContact O-N 2.73Å; Q227-R229 PolarHBondContact O-N 3.08Å; R229-K232 PolarHBondContact O-N 3.4Å; R229-S233 PolarHBondContact O-N 3.43Å; R229-S233 VanDerWaalsContact O-N 3.13Å; R229-N430 VanDerWaalsContact CZ-OD1 3.25Å; R229-N430 PolarHBondContact NH1-OD1 3.44Å; R229-N430 PolarHBondContact NH2-OD1 3.44Å; R229-I658 HydrophobicContact CB-CG2 4.18Å; R229-I658 PolarHBondContact NE-O 3.5Å; R229-I658 PolarHBondContact NH2-O 3.37Å; R229-I658 WeakPolarHBondContact O-CG2 3.42Å; R229-T659 VanDerWaalsContact NH2-CA 3.34Å; R229-F676 HydrophobicContact CG-CE2 3.87Å; R229-F676 HydrophobicContact CG-CZ 3.74Å
230	L	95.5	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-48.3	176.6	-73.7	169.2	0	0	0	111.4	M226 Q227 K232 S233 L234 A393 I396 I429 L645 I658	M226-L230 HydrophobicContact CG-CD1 4.37Å; M226-L230 PolarHBondContact O-N 2.97Å; Q227-L230 PolarHBondContact O-N 3.46Å; L230-K232 PolarHBondContact O-N 2.95Å; L230-S233 PolarHBondContact O-N 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.37Å; L230-L234 PolarHBondContact O-N 3.04Å; L230-A393 HydrophobicContact CB-CB 3.91Å; L230-I396 HydrophobicContact CD1-CB 4.34Å; L230-I396 HydrophobicContact CD1-CG2 4.05Å; L230-I429 HydrophobicContact CD2-CG2 4.39Å; L230-L645 HydrophobicContact CD2-CD1 3.98Å; L230-L645 HydrophobicContact CD2-CD2 4.33Å; L230-I658 HydrophobicContact CD2-CG1 4.45Å; L230-I658 HydrophobicContact CD2-CG2 4.35Å
231	V	96	Very high	93.6	Very high	42 Å²	42	36.4 Å²	36.4	26%	0.255	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-50.1	179.5	172.4	0	0	0	0	110.4	Q227 S233 L234 E235 A393	Q227-V231 HydrophobicContact CG-CG2 4.4Å; Q227-V231 WeakPolarHBondContact O-CG2 3.32Å; Q227-V231 PolarHBondContact O-N 3.45Å; V231-S233 VanDerWaalsContact C-N 3.26Å; V231-S233 PolarHBondContact O-N 3.37Å; V231-L234 PolarHBondContact O-N 2.95Å; V231-L234 VanDerWaalsContact O-N 3.09Å; V231-E235 VanDerWaalsContact O-CB 3.24Å; V231-E235 WeakPolarHBondContact O-CB 3.44Å; V231-E235 PolarHBondContact O-N 3.29Å; V231-A393 HydrophobicContact CB-CB 4.37Å; V231-A393 HydrophobicContact CG2-CB 3.75Å
232	K	94.4	Very high	94.1	Very high	36 Å²	36	36.9 Å²	36.9	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-38.2	-179.7	-77.2	-76.3	170.5	179.7	0	112.7	R228 R229 L230 L663 K667 M672 S675 F676 S699	R228-K232 WeakPolarHBondContact O-CG 3.29Å; R228-K232 PolarHBondContact O-N 3.23Å; R228-K232 VanDerWaalsContact O-N 3.12Å; R229-K232 PolarHBondContact O-N 3.4Å; L230-K232 PolarHBondContact O-N 2.95Å; K232-L663 HydrophobicContact CB-CD1 4.06Å; K232-K667 PolarHBondContact O-NZ 3.19Å; K232-M672 HydrophobicContact CD-CE 4.35Å; K232-M672 WeakPolarHBondContact O-CE 3.14Å; K232-S675 PolarHBondContact NZ-OG 2.75Å; K232-F676 HydrophobicContact CB-CD2 4.2Å; K232-F676 HydrophobicContact CG-CD2 3.93Å; K232-S699 PolarHBondContact NZ-OG 3.14Å
233	S	95.3	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-38.7	177.5	-155.1	0	0	0	0	112.7	R229 L230 V231 I658 K667	R229-S233 PolarHBondContact O-N 3.43Å; R229-S233 VanDerWaalsContact O-N 3.13Å; L230-S233 PolarHBondContact O-N 3.26Å; V231-S233 VanDerWaalsContact C-N 3.26Å; V231-S233 PolarHBondContact O-N 3.37Å; S233-I658 WeakPolarHBondContact OG-CD1 3.41Å; S233-K667 VanDerWaalsContact O-CE 3.29Å; S233-K667 WeakPolarHBondContact O-CE 3.29Å; S233-K667 PolarHBondContact O-NZ 2.92Å
234	L	96.7	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-97.4	-14.2	-169.5	-74.8	158.6	0	0	0	115	L230 V231 D236 L237 G389 C392 A393 L645 L648	L230-L234 WeakPolarHBondContact O-CB 3.37Å; L230-L234 PolarHBondContact O-N 3.04Å; V231-L234 PolarHBondContact O-N 2.95Å; V231-L234 VanDerWaalsContact O-N 3.09Å; L234-D236 PolarHBondContact O-N 3.3Å; L234-D236 VanDerWaalsContact O-N 3.09Å; L234-L237 HydrophobicContact CD2-CD2 4.14Å; L234-L237 PolarHBondContact O-N 3Å; L234-G389 WeakPolarHBondContact CB-O 3.32Å; L234-G389 WeakPolarHBondContact O-CA 3.33Å; L234-C392 HydrophobicContact CD1-CB 4.39Å; L234-A393 HydrophobicContact CB-CB 4.28Å; L234-A393 HydrophobicContact CD1-CB 3.79Å; L234-L645 HydrophobicContact CD1-CD1 4.27Å; L234-L648 HydrophobicContact CD2-CB 4.39Å; L234-L648 HydrophobicContact CD2-CD2 3.38Å; L234-L648 HydrophobicContact CD2-CG 4.49Å; L234-L648 HydrophobicContact CG-CD2 3.7Å
235	E	95.9	Very high	95.7	Very high	20 Å²	20	36.1 Å²	36.1	9%	0.093	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.3	-168.8	61	-171.7	-159.5	0	0	115.3	V231 M672 S699	V231-E235 VanDerWaalsContact O-CB 3.24Å; V231-E235 WeakPolarHBondContact O-CB 3.44Å; V231-E235 PolarHBondContact O-N 3.29Å; E235-M672 WeakPolarHBondContact OE1-CE 3.32Å; E235-S699 WeakPolarHBondContact OE1-CB 3.24Å; E235-S699 PolarHBondContact OE1-OG 3.47Å
236	D	95.5	Very high	96	Very high	8 Å²	8	35 Å²	35	4%	0.043	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-6	-177.9	-65.7	-39.8	0	0	0	113.5	L234 C238 K667 G697 V698	L234-D236 PolarHBondContact O-N 3.3Å; L234-D236 VanDerWaalsContact O-N 3.09Å; D236-C238 PolarHBondContact O-N 3.17Å; D236-K667 IonicContact OD2-NZ 3.65Å; D236-K667 PolarHBondContact OD2-NZ 3.36Å; D236-G697 WeakPolarHBondContact OD1-CA 3.46Å; D236-V698 WeakPolarHBondContact OD1-CG2 3.38Å; D236-V698 PolarHBondContact OD1-N 2.79Å
237	L	97	Very high	96.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	16%	0.162	C	C	.	.			trans	-81.2	120.9	-176.7	-80.4	70.4	0	0	0	110.9	L234 V245 R246 I253 G389 L644 L648	L234-L237 HydrophobicContact CD2-CD2 4.14Å; L234-L237 PolarHBondContact O-N 3Å; L237-V245 HydrophobicContact CB-CG1 4.27Å; L237-V245 HydrophobicContact CD2-CG1 4.43Å; L237-R246 WeakPolarHBondContact CA-O 3.4Å; L237-I253 HydrophobicContact CD2-CB 4.3Å; L237-I253 HydrophobicContact CD2-CG1 3.99Å; L237-I253 HydrophobicContact CD2-CG2 4.08Å; L237-I253 HydrophobicContact CG-CG1 4.22Å; L237-G389 PolarHBondContact O-N 3.22Å; L237-L644 HydrophobicContact CD2-CD1 3.87Å; L237-L644 HydrophobicContact CD2-CD2 4.41Å; L237-L644 HydrophobicContact CD2-CG 4.22Å; L237-L648 HydrophobicContact CD1-CD1 4.14Å; L237-L648 HydrophobicContact CD1-CD2 4.36Å; L237-L648 HydrophobicContact CD2-CD1 4.34Å
238	C	97.6	Very high	96.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.4	-177.6	-171	0	0	0	0	111.6	D236 V245 R246 G385 I710	D236-C238 PolarHBondContact O-N 3.17Å; C238-V245 WeakPolarHBondContact O-CA 3.38Å; C238-R246 PolarHBondContact N-O 3.03Å; C238-R246 PolarHBondContact O-N 2.98Å; C238-G385 VanDerWaalsContact SG-C 3.59Å; C238-G385 PolarHBondContact SG-O 3.28Å; C238-I710 HydrophobicContact CB-CB 4.33Å; C238-I710 HydrophobicContact CB-CG2 3.63Å
239	S	97.9	Very high	96	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.9	169	-174	0	0	0	0	109.7	G385 S386	S239-G385 PolarHBondContact O-N 2.99Å; S239-S386 PolarHBondContact N-O 3.19Å
240	Q	97.8	Very high	96	Very high	44 Å²	44	34.5 Å²	34.5	21%	0.206	18%	0.184	C	C	.	.			trans	-98.4	164.8	-174.7	-62.1	-64	-12.7	0	0	112.1	D242 L243 T244 R246	Q240-D242 WeakPolarHBondContact CB-OD1 3.41Å; Q240-D242 PolarHBondContact O-N 3.26Å; Q240-L243 PolarHBondContact O-N 2.92Å; Q240-T244 WeakPolarHBondContact CB-O 3.43Å; Q240-T244 PolarHBondContact N-O 3.43Å; Q240-R246 HydrophobicContact CG-CB 4.17Å; Q240-R246 HydrophobicContact CG-CG 3.91Å
241	Y	97.4	Very high	96	Very high	140 Å²	140	37.8 Å²	37.8	55%	0.549	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.9	179.5	-80.1	-74.8	0	0	0	114.2	L243 P384 L714	Y241-L243 PolarHBondContact O-N 3.44Å; Y241-P384 HydrophobicContact CD1-CB 3.72Å; Y241-P384 HydrophobicContact CD1-CG 4.03Å; Y241-P384 HydrophobicContact CE1-CB 3.92Å; Y241-P384 HydrophobicContact CE1-CG 4.41Å; Y241-P384 HydrophobicContact CG-CB 4.07Å; Y241-L714 HydrophobicContact CD2-CD2 3.89Å; Y241-L714 HydrophobicContact CD2-CG 4.34Å; Y241-L714 HydrophobicContact CE2-CD2 3.68Å; Y241-L714 HydrophobicContact CE2-CG 3.93Å
242	D	96.8	Very high	96.1	Very high	82 Å²	82	38.9 Å²	38.9	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	13.1	174.2	69.2	-14	0	0	0	113.1	Q240 T244 R246	Q240-D242 WeakPolarHBondContact CB-OD1 3.41Å; Q240-D242 PolarHBondContact O-N 3.26Å; D242-T244 VanDerWaalsContact CG-OG1 3.29Å; D242-T244 PolarHBondContact O-N 3.34Å; D242-T244 WeakPolarHBondContact OD1-CB 2.97Å; D242-T244 PolarHBondContact OD1-N 3.41Å; D242-T244 PolarHBondContact OD1-OG1 2.9Å; D242-T244 PolarHBondContact OD2-OG1 3Å; D242-R246 IonicContact OD2-CZ 3.01Å; D242-R246 IonicContact OD2-NE 3.48Å; D242-R246 IonicContact OD2-NH2 3.62Å; D242-R246 PolarHBondContact OD2-NH2 3.49Å
243	L	96.3	Very high	96.2	Very high	84 Å²	84	37.8 Å²	37.8	44%	0.44	20%	0.2	S	C	.	.	S	Bend	trans	68	10.8	-179.7	-49.8	176.6	0	0	0	115.1	Q240 Y241 I256	Q240-L243 PolarHBondContact O-N 2.92Å; Y241-L243 PolarHBondContact O-N 3.44Å; L243-I256 HydrophobicContact CB-CD1 4.01Å; L243-I256 HydrophobicContact CD1-CD1 4.45Å; L243-I256 WeakPolarHBondContact O-CA 3.47Å
244	T	97.9	Very high	96.3	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.074	20%	0.203	C	C	.	.			trans	-89.2	158	174.4	67.3	0	0	0	0	111.9	Q240 D242 R246	Q240-T244 WeakPolarHBondContact CB-O 3.43Å; Q240-T244 PolarHBondContact N-O 3.43Å; D242-T244 VanDerWaalsContact CG-OG1 3.29Å; D242-T244 PolarHBondContact O-N 3.34Å; D242-T244 WeakPolarHBondContact OD1-CB 2.97Å; D242-T244 PolarHBondContact OD1-N 3.41Å; D242-T244 PolarHBondContact OD1-OG1 2.9Å; D242-T244 PolarHBondContact OD2-OG1 3Å; T244-R246 PolarHBondContact OG1-NE 3.02Å
245	V	98.2	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.1	169.4	-176.4	0	0	0	0	108.8	L237 C238 I253 Q254 Y257 V388 L644	L237-V245 HydrophobicContact CB-CG1 4.27Å; L237-V245 HydrophobicContact CD2-CG1 4.43Å; C238-V245 WeakPolarHBondContact O-CA 3.38Å; V245-I253 PolarHBondContact O-N 2.92Å; V245-Q254 HydrophobicContact CB-CB 4.14Å; V245-Q254 HydrophobicContact CG2-CB 4.29Å; V245-Q254 PolarHBondContact N-O 2.87Å; V245-Q254 PolarHBondContact O-N 3.29Å; V245-Y257 HydrophobicContact CG2-CD2 3.98Å; V245-Y257 HydrophobicContact CG2-CG 4.34Å; V245-V388 HydrophobicContact CG1-CG2 3.86Å; V245-V388 HydrophobicContact CG2-CG2 4.42Å; V245-L644 HydrophobicContact CG1-CD1 4.09Å
246	R	97.2	Very high	96.4	Very high	77 Å²	77	47.5 Å²	47.5	29%	0.291	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.4	-173.5	-56.1	-169	-171.6	-156	5	112.7	L237 C238 Q240 D242 T244 D251 I252	L237-R246 WeakPolarHBondContact CA-O 3.4Å; C238-R246 PolarHBondContact N-O 3.03Å; C238-R246 PolarHBondContact O-N 2.98Å; Q240-R246 HydrophobicContact CG-CB 4.17Å; Q240-R246 HydrophobicContact CG-CG 3.91Å; D242-R246 IonicContact OD2-CZ 3.01Å; D242-R246 IonicContact OD2-NE 3.48Å; D242-R246 IonicContact OD2-NH2 3.62Å; D242-R246 PolarHBondContact OD2-NH2 3.49Å; T244-R246 PolarHBondContact OG1-NE 3.02Å; R246-D251 CarbonylContact C-O 3.59Å; R246-D251 VanDerWaalsContact CA-O 3.25Å; R246-D251 WeakPolarHBondContact CA-O 3.26Å; R246-I252 HydrophobicContact CG-CG1 4.25Å
247	S	95.4	Very high	96.5	Very high	16 Å²	16	47.2 Å²	47.2	11%	0.112	24%	0.243	C	C	.	.			trans	-76.7	172.5	166.8	68.8	0	0	0	0	111.6	T249 G250 D251	S247-T249 PolarHBondContact O-N 3.09Å; S247-T249 PolarHBondContact OG-N 3.05Å; S247-T249 PolarHBondContact OG-OG1 2.63Å; S247-G250 PolarHBondContact O-N 3.47Å; S247-G250 VanDerWaalsContact O-N 3.13Å; S247-G250 PolarHBondContact OG-N 3.4Å; S247-D251 PolarHBondContact N-O 3.48Å; S247-D251 WeakPolarHBondContact OG-CB 3.34Å; S247-D251 PolarHBondContact OG-N 3.49Å; S247-D251 VanDerWaalsContact OG-N 3.12Å; S247-D251 PolarHBondContact OG-O 3.36Å
248	S	92.8	Very high	96.4	Very high	49 Å²	49	47.5 Å²	47.5	34%	0.343	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.4	172	49.1	0	0	0	0	113.7	G250	S248-G250 VanDerWaalsContact C-N 3.29Å
249	T	91.4	Very high	96.1	Very high	72 Å²	72	49.5 Å²	49.5	44%	0.442	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12	175.2	53.7	0	0	0	0	113.1	S247 D251	S247-T249 PolarHBondContact O-N 3.09Å; S247-T249 PolarHBondContact OG-N 3.05Å; S247-T249 PolarHBondContact OG-OG1 2.63Å; T249-D251 PolarHBondContact OG1-OD2 3.35Å
250	G	92.5	Very high	95.9	Very high	36 Å²	36	51 Å²	51	37%	0.371	28%	0.275	S	S	.	.			trans	92.8	1.9	-177.5	0	0	0	0	0	114.7	S247 S248	S247-G250 PolarHBondContact O-N 3.47Å; S247-G250 VanDerWaalsContact O-N 3.13Å; S247-G250 PolarHBondContact OG-N 3.4Å; S248-G250 VanDerWaalsContact C-N 3.29Å
251	D	95.8	Very high	95.8	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	27%	0.272	S	S	.	.			trans	-65.1	138.2	172.8	-63	-42.8	0	0	0	110.2	R246 S247 T249 Y651	R246-D251 CarbonylContact C-O 3.59Å; R246-D251 VanDerWaalsContact CA-O 3.25Å; R246-D251 WeakPolarHBondContact CA-O 3.26Å; S247-D251 PolarHBondContact N-O 3.48Å; S247-D251 WeakPolarHBondContact OG-CB 3.34Å; S247-D251 PolarHBondContact OG-N 3.49Å; S247-D251 VanDerWaalsContact OG-N 3.12Å; S247-D251 PolarHBondContact OG-O 3.36Å; T249-D251 PolarHBondContact OG1-OD2 3.35Å; D251-Y651 HydrophobicContact CB-CE2 4.22Å
252	I	97.7	Very high	95.7	Very high	65 Å²	65	43.1 Å²	43.1	33%	0.333	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.8	178.5	-61	175	0	0	0	108.8	R246 F255	R246-I252 HydrophobicContact CG-CG1 4.25Å; I252-F255 HydrophobicContact CD1-CE1 4.26Å; I252-F255 HydrophobicContact CG2-CD1 4.28Å; I252-F255 HydrophobicContact CG2-CE1 4.4Å
253	I	97.4	Very high	95.7	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-43.5	173.3	-52.9	-57.8	0	0	0	110.1	L237 V245 L644 D647 L648 Y651	L237-I253 HydrophobicContact CD2-CB 4.3Å; L237-I253 HydrophobicContact CD2-CG1 3.99Å; L237-I253 HydrophobicContact CD2-CG2 4.08Å; L237-I253 HydrophobicContact CG-CG1 4.22Å; V245-I253 PolarHBondContact O-N 2.92Å; I253-L644 HydrophobicContact CG2-CD1 4.33Å; I253-D647 HydrophobicContact CG2-CB 3.88Å; I253-L648 HydrophobicContact CD1-CD1 4.11Å; I253-L648 HydrophobicContact CG2-CB 4.39Å; I253-Y651 HydrophobicContact CD1-CD1 3.72Å; I253-Y651 HydrophobicContact CD1-CD2 3.69Å; I253-Y651 HydrophobicContact CD1-CE1 3.9Å; I253-Y651 HydrophobicContact CD1-CE2 3.86Å; I253-Y651 HydrophobicContact CD1-CG 3.6Å
254	Q	97.9	Very high	95.7	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.4	174.3	-66.6	178.1	-26.6	0	0	109.7	V245 I256 Y257 G258 L644 D647	V245-Q254 HydrophobicContact CB-CB 4.14Å; V245-Q254 HydrophobicContact CG2-CB 4.29Å; V245-Q254 PolarHBondContact N-O 2.87Å; V245-Q254 PolarHBondContact O-N 3.29Å; Q254-I256 PolarHBondContact O-N 3.22Å; Q254-Y257 VanDerWaalsContact OE1-CA 3.32Å; Q254-G258 VanDerWaalsContact OE1-N 3.13Å; Q254-L644 HydrophobicContact CG-CD1 4.24Å; Q254-D647 HydrophobicContact CG-CB 4Å; Q254-D647 WeakPolarHBondContact CG-OD2 3.15Å; Q254-D647 PolarHBondContact NE2-OD2 3.3Å
255	F	97.9	Very high	95.6	Very high	166 Å²	166	40.8 Å²	40.8	73%	0.728	24%	0.244	S	C	*	.	S	Bend	trans	-65.6	-29.9	171	-70.6	-73.5	0	0	0	112.4	I252	I252-F255 HydrophobicContact CD1-CE1 4.26Å; I252-F255 HydrophobicContact CG2-CD1 4.28Å; I252-F255 HydrophobicContact CG2-CE1 4.4Å
256	I	96.8	Very high	95.4	Very high	47 Å²	47	41.3 Å²	41.3	24%	0.241	25%	0.249	C	C	.	.	S	Bend	trans	-148.5	134.7	172.1	-167.8	120.9	0	0	0	109.4	L243 Q254 G258 G259	L243-I256 HydrophobicContact CB-CD1 4.01Å; L243-I256 HydrophobicContact CD1-CD1 4.45Å; L243-I256 WeakPolarHBondContact O-CA 3.47Å; Q254-I256 PolarHBondContact O-N 3.22Å; I256-G258 PolarHBondContact O-N 3.03Å; I256-G259 WeakPolarHBondContact CG2-O 3.32Å; I256-G259 PolarHBondContact O-N 3.32Å
257	Y	97.5	Very high	95.3	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.012	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-56	123.4	-176.7	178.3	-111.3	0	0	0	111.6	V245 Q254 G259 D260 G261 L262 P264 M382 V388 R640 L644	V245-Y257 HydrophobicContact CG2-CD2 3.98Å; V245-Y257 HydrophobicContact CG2-CG 4.34Å; Q254-Y257 VanDerWaalsContact OE1-CA 3.32Å; Y257-G259 PolarHBondContact O-N 2.92Å; Y257-D260 PolarHBondContact O-N 3.32Å; Y257-G261 VanDerWaalsContact O-CA 3.28Å; Y257-G261 WeakPolarHBondContact O-CA 3.27Å; Y257-G261 PolarHBondContact O-N 2.98Å; Y257-L262 WeakPolarHBondContact CD1-O 3.27Å; Y257-L262 WeakPolarHBondContact CE1-O 3.32Å; Y257-P264 HydrophobicContact CE1-CG 4.4Å; Y257-M382 HydrophobicContact CD1-CB 3.98Å; Y257-M382 HydrophobicContact CD1-CE 3.86Å; Y257-M382 HydrophobicContact CD1-CG 4.05Å; Y257-M382 HydrophobicContact CE1-CE 3.38Å; Y257-M382 HydrophobicContact CG-CG 4.46Å; Y257-V388 HydrophobicContact CD2-CB 4.33Å; Y257-V388 HydrophobicContact CD2-CG1 4.35Å; Y257-V388 HydrophobicContact CD2-CG2 4.44Å; Y257-V388 HydrophobicContact CE2-CB 3.98Å; Y257-V388 HydrophobicContact CE2-CG1 4.24Å; Y257-V388 HydrophobicContact CE2-CG2 4.45Å; Y257-R640 HydrophobicContact CE1-CB 4.14Å; Y257-L644 HydrophobicContact CE2-CB 4.45Å; Y257-L644 HydrophobicContact CE2-CD2 4.12Å
258	G	93.8	Very high	95.1	Very high	8 Å²	8	37.4 Å²	37.4	8%	0.082	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	61.6	13.3	175.7	0	0	0	0	0	115.8	Q254 I256 D260 M643	Q254-G258 VanDerWaalsContact OE1-N 3.13Å; I256-G258 PolarHBondContact O-N 3.03Å; G258-D260 PolarHBondContact O-N 3.39Å; G258-M643 WeakPolarHBondContact O-CE 3.3Å
259	G	92.4	Very high	94.9	Very high	44 Å²	44	35.8 Å²	35.8	45%	0.454	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	81.5	-29.1	-175.1	0	0	0	0	0	114.5	I256 Y257 R317	I256-G259 WeakPolarHBondContact CG2-O 3.32Å; I256-G259 PolarHBondContact O-N 3.32Å; Y257-G259 PolarHBondContact O-N 2.92Å; G259-R317 PolarHBondContact O-NH1 3.39Å
260	D	93.6	Very high	94.7	Very high	35 Å²	35	41.2 Å²	41.2	19%	0.187	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-10.9	-175	64.7	1	0	0	0	114.9	Y257 G258 L262 R317 R640	Y257-D260 PolarHBondContact O-N 3.32Å; G258-D260 PolarHBondContact O-N 3.39Å; D260-L262 HydrophobicContact CB-CD1 4.24Å; D260-L262 HydrophobicContact CB-CG 4.12Å; D260-L262 PolarHBondContact O-N 3.4Å; D260-L262 PolarHBondContact OD1-N 2.89Å; D260-L262 WeakPolarHBondContact OD2-CD1 3.39Å; D260-R317 VanDerWaalsContact C-CZ 3.43Å; D260-R317 PolarHBondContact O-NE 2.94Å; D260-R317 PolarHBondContact O-NH2 3.49Å; D260-R640 VanDerWaalsContact CG-NE 3.33Å; D260-R640 IonicContact OD1-CZ 3.15Å; D260-R640 IonicContact OD1-NE 2.71Å; D260-R640 PolarHBondContact OD1-NE 3.23Å; D260-R640 IonicContact OD2-CZ 3.13Å; D260-R640 IonicContact OD2-NE 2.79Å; D260-R640 PolarHBondContact OD2-NE 3.16Å; D260-R640 IonicContact OD2-NH2 2.82Å; D260-R640 PolarHBondContact OD2-NH2 3.06Å
261	G	94.9	Very high	94.4	Very high	12 Å²	12	41 Å²	41	12%	0.124	23%	0.231	C	C	.	.			trans	67.5	20	-178.7	0	0	0	0	0	113.5	Y257 Q381 M382	Y257-G261 VanDerWaalsContact O-CA 3.28Å; Y257-G261 WeakPolarHBondContact O-CA 3.27Å; Y257-G261 PolarHBondContact O-N 2.98Å; G261-Q381 WeakPolarHBondContact O-CA 3.44Å; G261-M382 PolarHBondContact O-N 3.19Å
262	L	96.3	Very high	94.1	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-100.5	153	-176.3	-58.1	177.6	0	0	0	112.3	Y257 D260 P264 M267 P273 Y377 A380 Q381 R640	Y257-L262 WeakPolarHBondContact CD1-O 3.27Å; Y257-L262 WeakPolarHBondContact CE1-O 3.32Å; D260-L262 HydrophobicContact CB-CD1 4.24Å; D260-L262 HydrophobicContact CB-CG 4.12Å; D260-L262 PolarHBondContact O-N 3.4Å; D260-L262 PolarHBondContact OD1-N 2.89Å; D260-L262 WeakPolarHBondContact OD2-CD1 3.39Å; L262-P264 WeakPolarHBondContact O-CD 3.46Å; L262-M267 HydrophobicContact CB-CE 3.49Å; L262-M267 VanDerWaalsContact CB-CE 3.49Å; L262-M267 HydrophobicContact CD1-CE 4.03Å; L262-M267 HydrophobicContact CG-CE 4.33Å; L262-P273 HydrophobicContact CD1-CB 4.05Å; L262-P273 HydrophobicContact CD1-CG 3.9Å; L262-Y377 HydrophobicContact CD1-CE2 4.08Å; L262-Y377 HydrophobicContact CD2-CD2 4.45Å; L262-Y377 HydrophobicContact CD2-CE2 4.01Å; L262-A380 CarbonylContact C-O 3.48Å; L262-A380 WeakPolarHBondContact CA-O 3.44Å; L262-A380 HydrophobicContact CD2-CB 4.41Å; L262-Q381 HydrophobicContact CD2-CG 4.16Å; L262-R640 VanDerWaalsContact O-CD 3.31Å; L262-R640 WeakPolarHBondContact O-CD 3.35Å
263	D	97.2	Very high	93.8	Very high	43 Å²	43	38.5 Å²	38.5	23%	0.23	22%	0.216	C	C	.	.			trans	-86.2	119.9	178.1	-179.4	7.3	0	0	0	111.6	A265 A266 M267 A380 M382	D263-A265 PolarHBondContact O-N 3.44Å; D263-A265 VanDerWaalsContact O-N 3.14Å; D263-A265 WeakPolarHBondContact OD1-CB 3.32Å; D263-A265 PolarHBondContact OD1-N 2.81Å; D263-A266 HydrophobicContact CB-CB 4.17Å; D263-A266 PolarHBondContact O-N 3.04Å; D263-M267 WeakPolarHBondContact O-CE 3.31Å; D263-A380 PolarHBondContact N-O 3.4Å; D263-M382 HydrophobicContact CB-CE 3.99Å
264	P	96	Very high	93.6	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.123	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-49	-36.9	172.1	-30.6	36.4	0	0	0	113.7	Y257 L262 A266 M267 D638 R640	Y257-P264 HydrophobicContact CE1-CG 4.4Å; L262-P264 WeakPolarHBondContact O-CD 3.46Å; P264-A266 PolarHBondContact O-N 3.38Å; P264-M267 PolarHBondContact O-N 3.23Å; P264-D638 HydrophobicContact CB-CB 3.87Å; P264-D638 HydrophobicContact CG-CB 4.33Å; P264-R640 HydrophobicContact CG-CB 4.06Å
265	A	94.2	Very high	93.4	Very high	67 Å²	67	41.9 Å²	41.9	55%	0.554	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-69	-20.7	-179.5	0	0	0	0	0	112.2	R24 D263	R24-A265 PolarHBondContact NH2-O 3.13Å; D263-A265 PolarHBondContact O-N 3.44Å; D263-A265 VanDerWaalsContact O-N 3.14Å; D263-A265 WeakPolarHBondContact OD1-CB 3.32Å; D263-A265 PolarHBondContact OD1-N 2.81Å
266	A	94.8	Very high	93.3	Very high	11 Å²	11	35.4 Å²	35.4	9%	0.091	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-92.6	-4.4	-178.9	0	0	0	0	0	114.6	D263 P264 E268 A380	D263-A266 HydrophobicContact CB-CB 4.17Å; D263-A266 PolarHBondContact O-N 3.04Å; P264-A266 PolarHBondContact O-N 3.38Å; A266-E268 PolarHBondContact O-N 3.09Å; A266-A380 HydrophobicContact CB-CB 3.69Å
267	M	94.3	Very high	93.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.22	C	C	.	.			trans	-70.6	113.9	-176.3	-62	-61.7	113.8	0	0	112.6	K15 Y20 L262 D263 P264 P273 A380 R640	K15-M267 PolarHBondContact NZ-O 3.25Å; Y20-M267 PolarHBondContact OH-O 2.8Å; L262-M267 HydrophobicContact CB-CE 3.49Å; L262-M267 VanDerWaalsContact CB-CE 3.49Å; L262-M267 HydrophobicContact CD1-CE 4.03Å; L262-M267 HydrophobicContact CG-CE 4.33Å; D263-M267 WeakPolarHBondContact O-CE 3.31Å; P264-M267 PolarHBondContact O-N 3.23Å; M267-P273 HydrophobicContact CE-CB 4.03Å; M267-P273 HydrophobicContact SD-CB 4.14Å; M267-P273 VanDerWaalsContact SD-N 3.43Å; M267-A380 HydrophobicContact CE-CB 4.41Å; M267-R640 PolarHBondContact SD-NH2 2.84Å
268	E	92.9	Very high	93	Very high	11 Å²	11	41.6 Å²	41.6	5%	0.051	23%	0.227	C	C	.	.	S	Bend	trans	-78.7	-34.6	173.9	-63.6	-168.1	-158.6	0	0	112.8	K15 Y20 R24 A266 E272 P273 R278 K376	K15-E268 VanDerWaalsContact CD-O 3.26Å; K15-E268 WeakPolarHBondContact CD-O 3.42Å; Y20-E268 HydrophobicContact CE1-CG 4.4Å; Y20-E268 WeakPolarHBondContact OH-CA 3.28Å; R24-E268 HydrophobicContact CG-CG 4.18Å; A266-E268 PolarHBondContact O-N 3.09Å; E268-E272 PolarHBondContact N-O 3.33Å; E268-P273 WeakPolarHBondContact CB-O 3.19Å; E268-P273 PolarHBondContact N-O 3.49Å; E268-R278 IonicContact OE2-CZ 3.49Å; E268-R278 IonicContact OE2-NH1 2.8Å; E268-R278 PolarHBondContact OE2-NH1 3.47Å; E268-K376 WeakPolarHBondContact OE1-CD 3.43Å; E268-K376 IonicContact OE1-NZ 2.81Å; E268-K376 PolarHBondContact OE1-NZ 2.99Å; E268-K376 IonicContact OE2-NZ 3.66Å
269	G	88.3	Confident	93.1	Very high	14 Å²	14	41.4 Å²	41.4	14%	0.144	23%	0.225	C	C	.	.	S	Bend	trans	-90.7	-170.8	178.1	0	0	0	0	0	113.3	K15 D271 E272	K15-G269 PolarHBondContact NZ-O 3.49Å; G269-D271 PolarHBondContact O-N 3.1Å; G269-E272 WeakPolarHBondContact CA-O 3.43Å; G269-E272 PolarHBondContact N-O 3.32Å
270	K	86.7	Confident	93.3	Very high	187 Å²	187	39.6 Å²	39.6	81%	0.813	21%	0.205	S	C	*	.	S	Bend	trans	-78	100.2	169.7	-175.9	178.7	-179.4	179.8	0	108.7	E272	K270-E272 PolarHBondContact O-N 3.12Å
271	D	85.3	Confident	93.3	Very high	32 Å²	32	41.5 Å²	41.5	17%	0.171	22%	0.215	C	C	.	.	S	Bend	trans	57.1	14	-175.5	-48.5	-35.6	0	0	0	115.4	G269 R639 R640	G269-D271 PolarHBondContact O-N 3.1Å; D271-R639 HydrophobicContact CB-CG 4.47Å; D271-R639 PolarHBondContact O-NH2 3.49Å; D271-R640 PolarHBondContact O-NH2 2.52Å
272	E	90.1	Very high	93.4	Very high	73 Å²	73	43.1 Å²	43.1	34%	0.341	22%	0.221	S	C	.	.	S	Bend	trans	-118.8	143.6	-179.7	-65.1	-55	147	0	0	110.4	E268 G269 K270 L274 R639	E268-E272 PolarHBondContact N-O 3.33Å; G269-E272 WeakPolarHBondContact CA-O 3.43Å; G269-E272 PolarHBondContact N-O 3.32Å; K270-E272 PolarHBondContact O-N 3.12Å; E272-L274 PolarHBondContact O-N 3.48Å; E272-R639 IonicContact OE1-NH2 3.99Å; E272-R639 PolarHBondContact OE1-NH2 2.83Å
273	P	92	Very high	93.4	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.045	22%	0.221	C	C	.	.	S	Bend	trans	-70	-33.4	-171.3	27.9	-35.5	0	0	0	112.5	L262 M267 E268 Y377 A380	L262-P273 HydrophobicContact CD1-CB 4.05Å; L262-P273 HydrophobicContact CD1-CG 3.9Å; M267-P273 HydrophobicContact CE-CB 4.03Å; M267-P273 HydrophobicContact SD-CB 4.14Å; M267-P273 VanDerWaalsContact SD-N 3.43Å; E268-P273 WeakPolarHBondContact CB-O 3.19Å; E268-P273 PolarHBondContact N-O 3.49Å; P273-Y377 HydrophobicContact CG-CD2 4.16Å; P273-Y377 HydrophobicContact CG-CE2 4.49Å; P273-A380 HydrophobicContact CB-CB 4.35Å
274	L	93.1	Very high	93.3	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	22%	0.218	C	C	.	.			trans	-133.7	149.6	-175.7	-76.3	82.2	0	0	0	112.7	E272 F276 V279 F320 C373 K376	E272-L274 PolarHBondContact O-N 3.48Å; L274-F276 HydrophobicContact CB-CE1 4.35Å; L274-V279 HydrophobicContact CD2-CG2 4.5Å; L274-F320 HydrophobicContact CD1-CE2 4.29Å; L274-F320 HydrophobicContact CD1-CZ 4.44Å; L274-C373 HydrophobicContact CD2-CB 3.86Å; L274-K376 HydrophobicContact CD1-CB 3.97Å; L274-K376 HydrophobicContact CD2-CB 4.02Å; L274-K376 HydrophobicContact CD2-CD 4.18Å; L274-K376 HydrophobicContact CG-CB 4.13Å; L274-K376 HydrophobicContact CG-CD 4.4Å
275	E	94.2	Very high	93.2	Very high	85 Å²	85	45.8 Å²	45.8	40%	0.397	24%	0.241	S	C	.	.			trans	-106.7	93	164.4	-171.1	179.7	-173.1	0	0	109.9	K277 R278 V279	E275-K277 PolarHBondContact O-N 3.26Å; E275-K277 VanDerWaalsContact O-N 3.12Å; E275-R278 HydrophobicContact CB-CB 4.29Å; E275-R278 HydrophobicContact CG-CB 4.23Å; E275-R278 PolarHBondContact O-N 3.03Å; E275-R278 VanDerWaalsContact O-N 3.09Å; E275-V279 WeakPolarHBondContact O-CG2 3.3Å; E275-V279 PolarHBondContact O-N 3.3Å; E275-V279 VanDerWaalsContact O-N 3.09Å
276	F	94.7	Very high	93.3	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-54.5	-37	-170.6	-61.7	-65	0	0	0	114.3	L274 V279 L280 F320 E323 I324 F327 F369	L274-F276 HydrophobicContact CB-CE1 4.35Å; F276-V279 PolarHBondContact O-N 2.73Å; F276-L280 WeakPolarHBondContact O-CB 3.15Å; F276-L280 PolarHBondContact O-N 3.03Å; F276-F320 AromaticContact CE1-CE2 3.98Å; F276-F320 HydrophobicContact CE1-CE2 3.98Å; F276-F320 HydrophobicContact CE1-CZ 4.39Å; F276-F320 HydrophobicContact CZ-CD2 4.38Å; F276-F320 AromaticContact CZ-CE2 3.85Å; F276-F320 HydrophobicContact CZ-CE2 3.85Å; F276-E323 HydrophobicContact CE2-CB 4.18Å; F276-E323 HydrophobicContact CZ-CB 4.28Å; F276-I324 HydrophobicContact CE1-CG1 3.71Å; F276-I324 HydrophobicContact CZ-CG1 4.01Å; F276-F327 HydrophobicContact CB-CD1 3.85Å; F276-F327 HydrophobicContact CB-CD2 3.71Å; F276-F327 HydrophobicContact CB-CE1 3.83Å; F276-F327 HydrophobicContact CB-CE2 3.7Å; F276-F327 HydrophobicContact CB-CG 3.78Å; F276-F327 HydrophobicContact CB-CZ 3.76Å; F276-F327 HydrophobicContact CD2-CB 4.43Å; F276-F327 HydrophobicContact CD2-CG 4.44Å; F276-F327 HydrophobicContact CG-CD1 4.41Å; F276-F327 HydrophobicContact CG-CD2 4.43Å; F276-F327 HydrophobicContact CG-CG 4.21Å; F276-F369 HydrophobicContact CB-CZ 4.29Å; F276-F369 HydrophobicContact CD1-CZ 4.01Å
277	K	94.1	Very high	93.3	Very high	134 Å²	134	49.8 Å²	49.8	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-61.2	-50.7	178.3	-175.6	178	179.1	-176.7	0	111.4	E275 V279 L280 D281	E275-K277 PolarHBondContact O-N 3.26Å; E275-K277 VanDerWaalsContact O-N 3.12Å; K277-V279 PolarHBondContact O-N 3.32Å; K277-L280 PolarHBondContact O-N 2.79Å; K277-D281 VanDerWaalsContact O-CG 3.32Å; K277-D281 PolarHBondContact O-N 2.88Å
278	R	94.8	Very high	93	Very high	45 Å²	45	53.8 Å²	53.8	17%	0.17	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-45.5	178.1	-178.9	-155.5	156.7	-157.8	-13.6	111.1	D25 E268 E275 L280 D281 N282	D25-R278 VanDerWaalsContact CG-NH2 3.25Å; D25-R278 IonicContact OD1-NH2 2.83Å; D25-R278 PolarHBondContact OD1-NH2 3.46Å; D25-R278 IonicContact OD2-CZ 2.78Å; D25-R278 IonicContact OD2-NH2 3.28Å; D25-R278 PolarHBondContact OD2-NH2 3.23Å; E268-R278 IonicContact OE2-CZ 3.49Å; E268-R278 IonicContact OE2-NH1 2.8Å; E268-R278 PolarHBondContact OE2-NH1 3.47Å; E275-R278 HydrophobicContact CB-CB 4.29Å; E275-R278 HydrophobicContact CG-CB 4.23Å; E275-R278 PolarHBondContact O-N 3.03Å; E275-R278 VanDerWaalsContact O-N 3.09Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 3.28Å; R278-D281 PolarHBondContact O-N 3.25Å; R278-N282 WeakPolarHBondContact O-CB 3.43Å; R278-N282 PolarHBondContact O-N 3.32Å
279	V	95.8	Very high	93	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-45.4	-179.2	177.9	0	0	0	0	110.5	L274 E275 F276 K277 D281 N282 I283 F369 T372	L274-V279 HydrophobicContact CD2-CG2 4.5Å; E275-V279 WeakPolarHBondContact O-CG2 3.3Å; E275-V279 PolarHBondContact O-N 3.3Å; E275-V279 VanDerWaalsContact O-N 3.09Å; F276-V279 PolarHBondContact O-N 2.73Å; K277-V279 PolarHBondContact O-N 3.32Å; V279-D281 PolarHBondContact O-N 2.96Å; V279-N282 WeakPolarHBondContact O-CB 3.29Å; V279-N282 PolarHBondContact O-N 2.97Å; V279-I283 WeakPolarHBondContact O-CG1 3.38Å; V279-I283 PolarHBondContact O-N 3.11Å; V279-F369 HydrophobicContact CB-CD2 4.5Å; V279-F369 HydrophobicContact CB-CE2 4.26Å; V279-F369 HydrophobicContact CG1-CD2 3.98Å; V279-F369 HydrophobicContact CG1-CE2 4.13Å; V279-T372 HydrophobicContact CG1-CG2 4.07Å
280	L	95.3	Very high	93.2	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-43.7	177.6	-177.4	65.8	0	0	0	112.3	F276 K277 R278 N282 I283 R284 F327 M331 I361 F369	F276-L280 WeakPolarHBondContact O-CB 3.15Å; F276-L280 PolarHBondContact O-N 3.03Å; K277-L280 PolarHBondContact O-N 2.79Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 3.28Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.42Å; L280-I283 PolarHBondContact O-N 3.31Å; L280-R284 WeakPolarHBondContact O-CG 3.3Å; L280-R284 PolarHBondContact O-N 2.99Å; L280-F327 HydrophobicContact CD2-CE1 4.14Å; L280-F327 HydrophobicContact CD2-CZ 4.19Å; L280-M331 HydrophobicContact CD2-CE 4.46Å; L280-M331 HydrophobicContact CD2-SD 3.39Å; L280-M331 WeakPolarHBondContact CD2-SD 3.44Å; L280-I361 HydrophobicContact CD1-CD1 3.92Å; L280-F369 HydrophobicContact CB-CD2 3.96Å; L280-F369 HydrophobicContact CB-CE2 3.96Å; L280-F369 HydrophobicContact CD1-CB 4.28Å; L280-F369 HydrophobicContact CD1-CD2 3.99Å; L280-F369 HydrophobicContact CD1-CG 4.09Å
281	D	95.3	Very high	93.4	Very high	76 Å²	76	55.4 Å²	55.4	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-37.1	178.8	-70.5	-22.4	0	0	0	111.5	K277 R278 V279 R284 A285	K277-D281 VanDerWaalsContact O-CG 3.32Å; K277-D281 PolarHBondContact O-N 2.88Å; R278-D281 PolarHBondContact O-N 3.25Å; V279-D281 PolarHBondContact O-N 2.96Å; D281-R284 PolarHBondContact O-N 3.07Å; D281-A285 WeakPolarHBondContact O-CB 3.35Å; D281-A285 PolarHBondContact O-N 2.77Å; D281-A285 VanDerWaalsContact O-N 3.1Å
282	N	96.3	Very high	93.8	Very high	45 Å²	45	56 Å²	56	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-49.5	172.4	-173.9	21.4	0	0	0	111.4	D25 R278 V279 L280 R284 A285 V286	D25-N282 PolarHBondContact OD2-ND2 2.73Å; R278-N282 WeakPolarHBondContact O-CB 3.43Å; R278-N282 PolarHBondContact O-N 3.32Å; V279-N282 WeakPolarHBondContact O-CB 3.29Å; V279-N282 PolarHBondContact O-N 2.97Å; L280-N282 VanDerWaalsContact C-N 3.3Å; L280-N282 PolarHBondContact O-N 3.42Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 3.36Å; N282-A285 PolarHBondContact O-N 3.23Å; N282-A285 VanDerWaalsContact O-N 3.14Å; N282-V286 WeakPolarHBondContact O-CG2 3.31Å; N282-V286 PolarHBondContact O-N 3.32Å; N282-V286 WeakPolarHBondContact OD1-CG2 3.49Å
283	I	96.6	Very high	93.8	Very high	8 Å²	8	57 Å²	57	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-40.3	179.5	-66	-59.6	0	0	0	111.8	V279 L280 A285 V286 Y287 Q365 K368	V279-I283 WeakPolarHBondContact O-CG1 3.38Å; V279-I283 PolarHBondContact O-N 3.11Å; L280-I283 PolarHBondContact O-N 3.31Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.26Å; I283-V286 PolarHBondContact O-N 3.27Å; I283-Y287 HydrophobicContact CD1-CD2 4.35Å; I283-Y287 HydrophobicContact CD1-CE2 4.23Å; I283-Y287 HydrophobicContact CG2-CD2 4.19Å; I283-Y287 WeakPolarHBondContact O-CB 3.35Å; I283-Y287 PolarHBondContact O-N 3.27Å; I283-Q365 HydrophobicContact CG2-CB 4.19Å; I283-Q365 HydrophobicContact CG2-CG 4.47Å; I283-Q365 WeakPolarHBondContact CG2-O 3.35Å; I283-K368 HydrophobicContact CD1-CB 4.31Å; I283-K368 HydrophobicContact CG2-CB 3.93Å
284	R	94.6	Very high	93.8	Very high	43 Å²	43	57.3 Å²	57.3	16%	0.162	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-38.6	175.6	-77.2	174.5	164.2	173.3	-5.6	112.7	L280 D281 N282 R360	L280-R284 WeakPolarHBondContact O-CG 3.3Å; L280-R284 PolarHBondContact O-N 2.99Å; D281-R284 PolarHBondContact O-N 3.07Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 3.36Å; R284-R360 VanDerWaalsContact CZ-O 3.24Å; R284-R360 PolarHBondContact NE-O 3.48Å; R284-R360 VanDerWaalsContact NE-O 3.13Å; R284-R360 PolarHBondContact NH2-O 3.27Å
285	A	94.6	Very high	93.8	Very high	73 Å²	73	57.5 Å²	57.5	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-75.4	-39.1	180	0	0	0	0	0	112.6	D281 N282 I283	D281-A285 WeakPolarHBondContact O-CB 3.35Å; D281-A285 PolarHBondContact O-N 2.77Å; D281-A285 VanDerWaalsContact O-N 3.1Å; N282-A285 PolarHBondContact O-N 3.23Å; N282-A285 VanDerWaalsContact O-N 3.14Å; I283-A285 VanDerWaalsContact C-N 3.32Å; I283-A285 PolarHBondContact O-N 3.26Å
286	V	95.6	Very high	93.6	Very high	65 Å²	65	53.8 Å²	53.8	39%	0.394	31%	0.305	S	S	.	.	H	α-helix	trans	-74.9	-41.2	179.6	176.1	0	0	0	0	111.5	W26 N282 I283	W26-V286 HydrophobicContact CZ2-CG2 4.39Å; N282-V286 WeakPolarHBondContact O-CG2 3.31Å; N282-V286 PolarHBondContact O-N 3.32Å; N282-V286 WeakPolarHBondContact OD1-CG2 3.49Å; I283-V286 PolarHBondContact O-N 3.27Å
287	Y	94.6	Very high	93.5	Very high	96 Å²	96	54.7 Å²	54.7	38%	0.376	31%	0.309	S	S	.	.			trans	-116.5	84.9	-177.9	-57.6	-78	0	0	0	110.5	I283 C289 Q365 K368	I283-Y287 HydrophobicContact CD1-CD2 4.35Å; I283-Y287 HydrophobicContact CD1-CE2 4.23Å; I283-Y287 HydrophobicContact CG2-CD2 4.19Å; I283-Y287 WeakPolarHBondContact O-CB 3.35Å; I283-Y287 PolarHBondContact O-N 3.27Å; Y287-C289 PolarHBondContact O-N 3.12Å; Y287-Q365 WeakPolarHBondContact O-CG 3.48Å; Y287-Q365 PolarHBondContact O-NE2 3.38Å; Y287-K368 HydrophobicContact CD2-CB 4.45Å; Y287-K368 HydrophobicContact CD2-CG 4.29Å; Y287-K368 HydrophobicContact CE2-CB 4.46Å; Y287-K368 HydrophobicContact CE2-CD 4.46Å; Y287-K368 HydrophobicContact CE2-CG 4.21Å
288	T	89.3	Confident	93.4	Very high	85 Å²	85	53.9 Å²	53.9	52%	0.521	31%	0.312	S	S	.	.			trans	-74.9	-24.5	-174.3	55.4	0	0	0	0	114.2	R360	T288-R360 PolarHBondContact O-NH1 3.04Å
289	C	93.1	Very high	93.3	Very high	22 Å²	22	56 Å²	56	15%	0.149	32%	0.323	C	S	.	.			trans	38	60.8	175.4	-62.4	0	0	0	0	114.5	Y287 S291 E292 R360 T362	Y287-C289 PolarHBondContact O-N 3.12Å; C289-S291 PolarHBondContact O-N 3.36Å; C289-E292 HydrophobicContact CB-CB 4.34Å; C289-E292 HydrophobicContact CB-CG 4.23Å; C289-E292 PolarHBondContact O-N 2.85Å; C289-R360 PolarHBondContact O-NH1 3.36Å; C289-R360 PolarHBondContact O-NH2 3.45Å; C289-T362 HydrophobicContact CB-CG2 4.36Å
290	P	90.8	Very high	93.2	Very high	110 Å²	110	55.8 Å²	55.8	71%	0.714	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.1	-173.3	27.5	-35.3	0	0	0	113.9
291	S	92	Very high	93.1	Very high	114 Å²	114	57.9 Å²	57.9	80%	0.797	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.3	179.9	49.4	0	0	0	0	114.4	C289	C289-S291 PolarHBondContact O-N 3.36Å
292	E	92.7	Very high	93	Very high	45 Å²	45	60.4 Å²	60.4	21%	0.21	35%	0.348	C	S	.	.	S	Bend	trans	-92.5	149.5	-176	-71.7	174.8	-161.3	0	0	112.8	C289 R360 T362 T364	C289-E292 HydrophobicContact CB-CB 4.34Å; C289-E292 HydrophobicContact CB-CG 4.23Å; C289-E292 PolarHBondContact O-N 2.85Å; E292-R360 PolarHBondContact O-NH2 3.5Å; E292-T362 HydrophobicContact CB-CG2 4.06Å; E292-T362 WeakPolarHBondContact OE2-CB 3.44Å; E292-T362 PolarHBondContact OE2-OG1 3.16Å; E292-T364 VanDerWaalsContact CD-OG1 3.22Å; E292-T364 VanDerWaalsContact OE1-CB 3.27Å; E292-T364 WeakPolarHBondContact OE1-CB 3.44Å; E292-T364 PolarHBondContact OE1-OG1 2.9Å; E292-T364 WeakPolarHBondContact OE2-CB 3.42Å; E292-T364 PolarHBondContact OE2-N 3.36Å; E292-T364 PolarHBondContact OE2-OG1 3.31Å
293	P	90.3	Very high	92.9	Very high	94 Å²	94	60.2 Å²	60.2	61%	0.61	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-70.3	154.3	174.4	30.6	-34.8	0	0	0	111.8
294	A	92	Very high	92.7	Very high	14 Å²	14	60 Å²	60	12%	0.116	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-85.8	116.8	173.1	0	0	0	0	0	110	R339 Y356 R360 I361	A294-R339 PolarHBondContact O-NH2 3.17Å; A294-Y356 HydrophobicContact CB-CD1 4.29Å; A294-R360 HydrophobicContact CB-CG 4.01Å; A294-I361 WeakPolarHBondContact CA-O 3.49Å
295	L	92.6	Very high	92.6	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-63.4	139.8	-176.5	-58	172.9	0	0	0	111.8	E299 L300 R339 I361 P363 L366	L295-E299 HydrophobicContact CB-CB 4.34Å; L295-E299 HydrophobicContact CD2-CB 4.17Å; L295-L300 HydrophobicContact CB-CB 4.39Å; L295-L300 HydrophobicContact CD1-CD1 4.34Å; L295-R339 VanDerWaalsContact C-NH2 3.33Å; L295-R339 PolarHBondContact O-NH2 3.22Å; L295-I361 HydrophobicContact CB-CG2 4.15Å; L295-I361 PolarHBondContact N-O 3.38Å; L295-P363 HydrophobicContact CD1-CB 4.46Å; L295-L366 HydrophobicContact CD1-CD2 4.49Å
296	S	91.8	Very high	92.4	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.042	35%	0.349	C	S	.	.			trans	-75.7	175.3	168.7	64.7	0	0	0	0	111.9	N298 E299 L300 D346	S296-N298 PolarHBondContact O-N 3.49Å; S296-E299 WeakPolarHBondContact CB-OE2 3.42Å; S296-E299 PolarHBondContact N-OE2 2.84Å; S296-E299 WeakPolarHBondContact OG-CB 3.18Å; S296-E299 VanDerWaalsContact OG-CG 3.23Å; S296-E299 WeakPolarHBondContact OG-CG 3.17Å; S296-E299 PolarHBondContact OG-N 3.37Å; S296-E299 PolarHBondContact OG-OE2 3.3Å; S296-L300 VanDerWaalsContact O-CB 3.23Å; S296-L300 WeakPolarHBondContact O-CB 3.32Å; S296-L300 PolarHBondContact O-N 2.88Å; S296-D346 WeakPolarHBondContact CB-OD1 3.21Å
297	Q	91.9	Very high	92.2	Very high	49 Å²	49	57.2 Å²	57.2	23%	0.229	33%	0.334	C	S	.	.	H	α-helix	trans	-54.9	-51	177.5	-177.9	-174	8.6	0	0	112	V301 K336	Q297-V301 WeakPolarHBondContact O-CG2 3.41Å; Q297-V301 PolarHBondContact O-N 3.19Å; Q297-K336 HydrophobicContact CB-CB 4.45Å; Q297-K336 VanDerWaalsContact OE1-CD 3.26Å
298	N	91.6	Very high	91.9	Very high	118 Å²	118	53.5 Å²	53.5	63%	0.631	32%	0.321	S	S	*	.	H	α-helix	trans	-71.8	-42	-173.6	-65.4	-24	0	0	0	111.2	S296 L300 V301 L302	S296-N298 PolarHBondContact O-N 3.49Å; N298-L300 VanDerWaalsContact C-N 3.32Å; N298-L300 PolarHBondContact O-N 3.44Å; N298-V301 PolarHBondContact O-N 3.45Å; N298-L302 VanDerWaalsContact O-CB 3.3Å; N298-L302 WeakPolarHBondContact O-CB 3.45Å; N298-L302 PolarHBondContact O-N 2.95Å
299	E	92.7	Very high	91.9	Very high	89 Å²	89	57.7 Å²	57.7	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-39.1	177.6	-68.8	167.8	154.3	0	0	111.7	L295 S296 T303	L295-E299 HydrophobicContact CB-CB 4.34Å; L295-E299 HydrophobicContact CD2-CB 4.17Å; S296-E299 WeakPolarHBondContact CB-OE2 3.42Å; S296-E299 PolarHBondContact N-OE2 2.84Å; S296-E299 WeakPolarHBondContact OG-CB 3.18Å; S296-E299 VanDerWaalsContact OG-CG 3.23Å; S296-E299 WeakPolarHBondContact OG-CG 3.17Å; S296-E299 PolarHBondContact OG-N 3.37Å; S296-E299 PolarHBondContact OG-OE2 3.3Å; E299-T303 VanDerWaalsContact O-CB 3.24Å; E299-T303 WeakPolarHBondContact O-CB 3.49Å; E299-T303 PolarHBondContact O-N 2.91Å; E299-T303 PolarHBondContact O-OG1 3.41Å
300	L	93.4	Very high	91.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-49.8	176.8	174.7	67.8	0	0	0	111.4	L295 S296 N298 A304 I328 M331 I335 I361 L366	L295-L300 HydrophobicContact CB-CB 4.39Å; L295-L300 HydrophobicContact CD1-CD1 4.34Å; S296-L300 VanDerWaalsContact O-CB 3.23Å; S296-L300 WeakPolarHBondContact O-CB 3.32Å; S296-L300 PolarHBondContact O-N 2.88Å; N298-L300 VanDerWaalsContact C-N 3.32Å; N298-L300 PolarHBondContact O-N 3.44Å; L300-A304 VanDerWaalsContact O-CB 3.26Å; L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 2.88Å; L300-I328 HydrophobicContact CD2-CG2 4.28Å; L300-I328 HydrophobicContact CG-CG2 4.08Å; L300-M331 HydrophobicContact CD1-CE 3.7Å; L300-M331 HydrophobicContact CD2-CE 3.48Å; L300-M331 VanDerWaalsContact CD2-CE 3.48Å; L300-M331 HydrophobicContact CD2-CG 4.29Å; L300-M331 HydrophobicContact CG-CE 4.16Å; L300-I335 HydrophobicContact CD2-CD1 3.81Å; L300-I361 HydrophobicContact CD1-CG1 4.2Å; L300-I361 HydrophobicContact CD1-CG2 4.24Å; L300-L366 HydrophobicContact CD1-CD1 3.98Å; L300-L366 HydrophobicContact CD1-CD2 3.91Å; L300-L366 HydrophobicContact CD1-CG 4.48Å
301	V	94.2	Very high	91.7	Very high	50 Å²	50	59.3 Å²	59.3	30%	0.303	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-44.8	-179.1	176.3	0	0	0	0	110.6	Q297 N298 T303 A304 D305	Q297-V301 WeakPolarHBondContact O-CG2 3.41Å; Q297-V301 PolarHBondContact O-N 3.19Å; N298-V301 PolarHBondContact O-N 3.45Å; V301-T303 PolarHBondContact O-N 2.81Å; V301-A304 PolarHBondContact O-N 3.45Å; V301-D305 WeakPolarHBondContact O-CB 3.31Å; V301-D305 PolarHBondContact O-N 3.33Å
302	L	93.6	Very high	91.3	Very high	129 Å²	129	58.4 Å²	58.4	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-44.2	179.3	-165.3	161	0	0	0	111.4	N298 G306	N298-L302 VanDerWaalsContact O-CB 3.3Å; N298-L302 WeakPolarHBondContact O-CB 3.45Å; N298-L302 PolarHBondContact O-N 2.95Å; L302-G306 PolarHBondContact O-N 3.21Å
303	T	92.9	Very high	91.1	Very high	41 Å²	41	56.7 Å²	56.7	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-42	178.4	-51.4	0	0	0	0	111.2	E299 V301 G306 I307 L366	E299-T303 VanDerWaalsContact O-CB 3.24Å; E299-T303 WeakPolarHBondContact O-CB 3.49Å; E299-T303 PolarHBondContact O-N 2.91Å; E299-T303 PolarHBondContact O-OG1 3.41Å; V301-T303 PolarHBondContact O-N 2.81Å; T303-G306 PolarHBondContact O-N 3.19Å; T303-I307 HydrophobicContact CG2-CD1 4.03Å; T303-I307 WeakPolarHBondContact O-CG1 3.4Å; T303-I307 PolarHBondContact O-N 3.49Å; T303-L366 HydrophobicContact CG2-CD2 3.9Å
304	A	92.8	Very high	90.9	Very high	2 Å²	2	59.1 Å²	59.1	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-49.1	176	0	0	0	0	0	111.5	L300 V301 G306 I307 M308 I328 L366	L300-A304 VanDerWaalsContact O-CB 3.26Å; L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 2.88Å; V301-A304 PolarHBondContact O-N 3.45Å; A304-G306 VanDerWaalsContact C-N 3.28Å; A304-G306 PolarHBondContact O-N 3.34Å; A304-I307 PolarHBondContact O-N 3.21Å; A304-M308 WeakPolarHBondContact O-CB 3.3Å; A304-M308 VanDerWaalsContact O-CG 3.28Å; A304-M308 WeakPolarHBondContact O-CG 3.39Å; A304-M308 PolarHBondContact O-N 3.1Å; A304-I328 HydrophobicContact CB-CD1 3.63Å; A304-I328 HydrophobicContact CB-CG2 3.99Å; A304-L366 HydrophobicContact CB-CD2 4.14Å
305	D	91.7	Very high	90.7	Very high	60 Å²	60	62 Å²	62	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-35.8	177.7	-77.6	-24.1	0	0	0	111.9	V301 K309	V301-D305 WeakPolarHBondContact O-CB 3.31Å; V301-D305 PolarHBondContact O-N 3.33Å; D305-K309 VanDerWaalsContact O-CG 3.25Å; D305-K309 WeakPolarHBondContact O-CG 3.45Å; D305-K309 PolarHBondContact O-N 3.31Å
306	G	91.4	Very high	90.5	Very high	46 Å²	46	61.7 Å²	61.7	47%	0.474	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-42.2	173.6	0	0	0	0	0	112.9	L302 T303 A304	L302-G306 PolarHBondContact O-N 3.21Å; T303-G306 PolarHBondContact O-N 3.19Å; A304-G306 VanDerWaalsContact C-N 3.28Å; A304-G306 PolarHBondContact O-N 3.34Å
307	I	90.6	Very high	90.4	Very high	18 Å²	18	65.3 Å²	65.3	9%	0.092	35%	0.354	C	S	.	.	H	α-helix	trans	-72.8	-42.3	178.7	-64.6	164.5	0	0	0	111.2	T303 A304 K309 K310 F313 L366 E367 L370	T303-I307 HydrophobicContact CG2-CD1 4.03Å; T303-I307 WeakPolarHBondContact O-CG1 3.4Å; T303-I307 PolarHBondContact O-N 3.49Å; A304-I307 PolarHBondContact O-N 3.21Å; I307-K309 PolarHBondContact O-N 3.03Å; I307-K310 WeakPolarHBondContact O-CB 3.37Å; I307-K310 VanDerWaalsContact O-CG 3.3Å; I307-K310 WeakPolarHBondContact O-CG 3.39Å; I307-K310 PolarHBondContact O-N 2.95Å; I307-K310 VanDerWaalsContact O-N 3.13Å; I307-F313 HydrophobicContact CG2-CE2 3.94Å; I307-F313 HydrophobicContact CG2-CZ 4.24Å; I307-F313 WeakPolarHBondContact O-CD2 3.39Å; I307-L366 HydrophobicContact CD1-CD2 4.37Å; I307-L366 HydrophobicContact CD1-CG 4.37Å; I307-E367 HydrophobicContact CD1-CB 4.05Å; I307-L370 HydrophobicContact CB-CD1 3.78Å; I307-L370 HydrophobicContact CD1-CD1 4.12Å; I307-L370 HydrophobicContact CG2-CB 4.29Å; I307-L370 HydrophobicContact CG2-CD1 3.6Å
308	M	89.4	Confident	90.3	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-19.5	-178.5	-70.1	-177.5	75.3	0	0	113.5	A304 K310 F313 L321 I324 K325 L370	A304-M308 WeakPolarHBondContact O-CB 3.3Å; A304-M308 VanDerWaalsContact O-CG 3.28Å; A304-M308 WeakPolarHBondContact O-CG 3.39Å; A304-M308 PolarHBondContact O-N 3.1Å; M308-K310 VanDerWaalsContact C-N 3.29Å; M308-F313 WeakPolarHBondContact O-CB 3.46Å; M308-L321 HydrophobicContact CE-CB 3.89Å; M308-L321 HydrophobicContact CE-CD2 3.71Å; M308-L321 HydrophobicContact CE-CG 4.37Å; M308-I324 HydrophobicContact CE-CB 4.32Å; M308-I324 HydrophobicContact CE-CG2 4.07Å; M308-I324 HydrophobicContact SD-CG2 3.98Å; M308-K325 HydrophobicContact CE-CD 4.45Å; M308-K325 HydrophobicContact CE-CG 3.96Å; M308-K325 HydrophobicContact SD-CG 3.93Å; M308-L370 HydrophobicContact CG-CD1 4.29Å; M308-L370 HydrophobicContact CG-CD2 4.43Å
309	K	89.6	Confident	90.3	Very high	173 Å²	173	66.4 Å²	66.4	75%	0.752	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.6	173.8	-76.3	172.8	-176.4	178.6	0	114.1	D305 I307	D305-K309 VanDerWaalsContact O-CG 3.25Å; D305-K309 WeakPolarHBondContact O-CG 3.45Å; D305-K309 PolarHBondContact O-N 3.31Å; I307-K309 PolarHBondContact O-N 3.03Å
310	K	91	Very high	90.2	Very high	93 Å²	93	62.3 Å²	62.3	40%	0.404	35%	0.347	S	S	.	.	S	Bend	trans	-62.9	146	175.9	-67.8	178.3	-179.9	-178.5	0	110	I307 M308 D312 F313 E367	I307-K310 WeakPolarHBondContact O-CB 3.37Å; I307-K310 VanDerWaalsContact O-CG 3.3Å; I307-K310 WeakPolarHBondContact O-CG 3.39Å; I307-K310 PolarHBondContact O-N 2.95Å; I307-K310 VanDerWaalsContact O-N 3.13Å; M308-K310 VanDerWaalsContact C-N 3.29Å; K310-D312 PolarHBondContact O-N 3.35Å; K310-D312 VanDerWaalsContact O-N 3.09Å; K310-F313 HydrophobicContact CB-CD2 4.29Å; K310-F313 PolarHBondContact O-N 3.04Å; K310-E367 IonicContact NZ-OE1 2.93Å; K310-E367 PolarHBondContact NZ-OE1 3.3Å
311	A	86.9	Confident	90.2	Very high	73 Å²	73	63.5 Å²	63.5	60%	0.603	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-55	-32.7	-176.3	0	0	0	0	0	113.2	F313 L314	A311-F313 PolarHBondContact O-N 2.73Å; A311-F313 VanDerWaalsContact O-N 3.12Å; A311-L314 HydrophobicContact CB-CD1 4.43Å; A311-L314 WeakPolarHBondContact O-CB 3.32Å; A311-L314 PolarHBondContact O-N 3.27Å; A311-L314 VanDerWaalsContact O-N 3.1Å
312	D	85.1	Confident	90.1	Very high	94 Å²	94	67.7 Å²	67.7	50%	0.503	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60.8	-19.6	178.8	-62.7	8.6	0	0	0	115.2	K310 C315 R374	K310-D312 PolarHBondContact O-N 3.35Å; K310-D312 VanDerWaalsContact O-N 3.09Å; D312-C315 PolarHBondContact O-SG 2.98Å; D312-R374 WeakPolarHBondContact O-CD 3.43Å; D312-R374 IonicContact OD2-NH1 2.96Å; D312-R374 PolarHBondContact OD2-NH1 3.01Å
313	F	87.9	Confident	90.1	Very high	10 Å²	10	65.1 Å²	65.1	4%	0.044	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-92.2	-9.5	179.1	-73.8	-88.8	0	0	0	112.9	I307 M308 K310 A311 C315 C316 L321 L370 R374	I307-F313 HydrophobicContact CG2-CE2 3.94Å; I307-F313 HydrophobicContact CG2-CZ 4.24Å; I307-F313 WeakPolarHBondContact O-CD2 3.39Å; M308-F313 WeakPolarHBondContact O-CB 3.46Å; K310-F313 HydrophobicContact CB-CD2 4.29Å; K310-F313 PolarHBondContact O-N 3.04Å; A311-F313 PolarHBondContact O-N 2.73Å; A311-F313 VanDerWaalsContact O-N 3.12Å; F313-C315 PolarHBondContact O-N 2.92Å; F313-C316 PolarHBondContact O-N 3.02Å; F313-L321 HydrophobicContact CD1-CD2 4.33Å; F313-L370 HydrophobicContact CE1-CB 4.29Å; F313-L370 HydrophobicContact CZ-CB 3.91Å; F313-R374 HydrophobicContact CD1-CB 4.36Å; F313-R374 HydrophobicContact CD1-CG 4.31Å; F313-R374 HydrophobicContact CE1-CB 3.82Å; F313-R374 HydrophobicContact CE1-CG 4.22Å; F313-R374 HydrophobicContact CZ-CB 4.41Å
314	L	86.5	Confident	90.1	Very high	144 Å²	144	63.1 Å²	63.1	75%	0.754	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.9	178.3	-63.9	171.1	0	0	0	113	A311 C316	A311-L314 HydrophobicContact CB-CD1 4.43Å; A311-L314 WeakPolarHBondContact O-CB 3.32Å; A311-L314 PolarHBondContact O-N 3.27Å; A311-L314 VanDerWaalsContact O-N 3.1Å; L314-C316 VanDerWaalsContact C-N 3.33Å
315	C	87.1	Confident	90.2	Very high	75 Å²	75	68 Å²	68	51%	0.507	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.1	176.5	62.1	0	0	0	0	113.5	D312 F313 M378	D312-C315 PolarHBondContact O-SG 2.98Å; F313-C315 PolarHBondContact O-N 2.92Å; C315-M378 HydrophobicContact CB-CE 4.48Å
316	C	88.5	Confident	90.3	Very high	8 Å²	8	72.4 Å²	72.4	5%	0.054	38%	0.379	C	S	.	.	S	Bend	trans	-83.1	153.6	174.9	-62.7	0	0	0	0	110.7	F313 L314 F320 L321 Y377	F313-C316 PolarHBondContact O-N 3.02Å; L314-C316 VanDerWaalsContact C-N 3.33Å; C316-F320 HydrophobicContact CB-CD1 4.26Å; C316-L321 HydrophobicContact CB-CD2 4.04Å; C316-L321 HydrophobicContact CB-CG 4.24Å; C316-Y377 HydrophobicContact CB-CE1 4.5Å
317	R	89	Confident	90.5	Very high	81 Å²	81	72.5 Å²	72.5	31%	0.306	37%	0.367	S	S	.	.			trans	-71.9	148.5	173.6	-65.7	-170.8	-174.9	-158	6.5	111.8	G259 D260 S319 F320 L321 Y377	G259-R317 PolarHBondContact O-NH1 3.39Å; D260-R317 VanDerWaalsContact C-CZ 3.43Å; D260-R317 PolarHBondContact O-NE 2.94Å; D260-R317 PolarHBondContact O-NH2 3.49Å; R317-S319 VanDerWaalsContact C-N 3.29Å; R317-S319 PolarHBondContact O-N 3.48Å; R317-F320 PolarHBondContact O-N 3.04Å; R317-L321 PolarHBondContact O-N 3.33Å; R317-Y377 WeakPolarHBondContact CD-OH 3.23Å; R317-Y377 WeakPolarHBondContact CG-OH 3.49Å
318	D	90.3	Very high	90.7	Very high	125 Å²	125	71.8 Å²	71.8	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-58.2	-39.3	179	-67.3	-33.4	0	0	0	112.9	F320 L321 E322	D318-F320 VanDerWaalsContact C-N 3.31Å; D318-F320 PolarHBondContact O-N 3.18Å; D318-L321 PolarHBondContact O-N 2.74Å; D318-L321 VanDerWaalsContact O-N 3.13Å; D318-E322 WeakPolarHBondContact O-CG 3.42Å; D318-E322 PolarHBondContact O-N 3.45Å
319	S	91.1	Very high	90.9	Very high	66 Å²	66	77 Å²	77	46%	0.462	39%	0.385	S	S	.	.	H	α-helix	trans	-57.4	-42.5	178.5	61.2	0	0	0	0	112.6	R317 E322 E323	R317-S319 VanDerWaalsContact C-N 3.29Å; R317-S319 PolarHBondContact O-N 3.48Å; S319-E322 PolarHBondContact O-N 2.88Å; S319-E323 WeakPolarHBondContact O-CG 3.5Å; S319-E323 PolarHBondContact O-N 3.17Å; S319-E323 VanDerWaalsContact O-N 3.07Å
320	F	92.2	Very high	91.2	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.009	37%	0.374	C	S	.	.	H	α-helix	trans	-69.4	-38.2	178.3	178.2	-113.1	0	0	0	111.9	L274 F276 C316 R317 D318 E322 E323 I324 C373 Y377	L274-F320 HydrophobicContact CD1-CE2 4.29Å; L274-F320 HydrophobicContact CD1-CZ 4.44Å; F276-F320 AromaticContact CE1-CE2 3.98Å; F276-F320 HydrophobicContact CE1-CE2 3.98Å; F276-F320 HydrophobicContact CE1-CZ 4.39Å; F276-F320 HydrophobicContact CZ-CD2 4.38Å; F276-F320 AromaticContact CZ-CE2 3.85Å; F276-F320 HydrophobicContact CZ-CE2 3.85Å; C316-F320 HydrophobicContact CB-CD1 4.26Å; R317-F320 PolarHBondContact O-N 3.04Å; D318-F320 VanDerWaalsContact C-N 3.31Å; D318-F320 PolarHBondContact O-N 3.18Å; F320-E322 VanDerWaalsContact C-N 3.33Å; F320-E323 PolarHBondContact O-N 3.42Å; F320-I324 HydrophobicContact CD1-CD1 3.97Å; F320-I324 HydrophobicContact CE1-CD1 3.44Å; F320-I324 VanDerWaalsContact CE1-CD1 3.44Å; F320-I324 HydrophobicContact CE1-CG1 4.43Å; F320-I324 HydrophobicContact CE2-CD1 4.26Å; F320-I324 HydrophobicContact CE2-CG1 4.47Å; F320-I324 HydrophobicContact CZ-CD1 3.62Å; F320-I324 HydrophobicContact CZ-CG1 4.28Å; F320-I324 WeakPolarHBondContact O-CG1 3.38Å; F320-I324 PolarHBondContact O-N 3.14Å; F320-C373 HydrophobicContact CZ-CB 4.25Å; F320-Y377 HydrophobicContact CB-CD2 4.32Å; F320-Y377 HydrophobicContact CB-CE2 3.91Å; F320-Y377 HydrophobicContact CD1-CD1 4.18Å; F320-Y377 AromaticContact CD1-CD2 3.94Å; F320-Y377 HydrophobicContact CD1-CD2 3.94Å; F320-Y377 HydrophobicContact CD1-CE2 4.32Å; F320-Y377 AromaticContact CD1-CG 3.87Å; F320-Y377 HydrophobicContact CD1-CG 3.87Å; F320-Y377 AromaticContact CD2-CD2 3.65Å; F320-Y377 HydrophobicContact CD2-CD2 3.65Å; F320-Y377 AromaticContact CD2-CE2 3.97Å; F320-Y377 HydrophobicContact CD2-CE2 3.97Å; F320-Y377 HydrophobicContact CD2-CG 4.35Å; F320-Y377 HydrophobicContact CE1-CD1 4.38Å; F320-Y377 HydrophobicContact CE1-CD2 4.09Å; F320-Y377 AromaticContact CE1-CG 3.8Å; F320-Y377 HydrophobicContact CE1-CG 3.8Å; F320-Y377 AromaticContact CE2-CD2 3.82Å; F320-Y377 HydrophobicContact CE2-CD2 3.82Å; F320-Y377 HydrophobicContact CE2-CG 4.3Å; F320-Y377 AromaticContact CG-CD2 3.7Å; F320-Y377 HydrophobicContact CG-CD2 3.7Å; F320-Y377 AromaticContact CG-CE2 3.81Å; F320-Y377 HydrophobicContact CG-CE2 3.81Å; F320-Y377 HydrophobicContact CG-CG 4.13Å; F320-Y377 HydrophobicContact CZ-CD2 4.03Å; F320-Y377 HydrophobicContact CZ-CG 4.02Å
321	L	92	Very high	91.3	Very high	26 Å²	26	69 Å²	69	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-37.5	175.7	-61.9	177.7	0	0	0	111.4	M308 F313 C316 R317 D318 I324 K325	M308-L321 HydrophobicContact CE-CB 3.89Å; M308-L321 HydrophobicContact CE-CD2 3.71Å; M308-L321 HydrophobicContact CE-CG 4.37Å; F313-L321 HydrophobicContact CD1-CD2 4.33Å; C316-L321 HydrophobicContact CB-CD2 4.04Å; C316-L321 HydrophobicContact CB-CG 4.24Å; R317-L321 PolarHBondContact O-N 3.33Å; D318-L321 PolarHBondContact O-N 2.74Å; D318-L321 VanDerWaalsContact O-N 3.13Å; L321-I324 PolarHBondContact O-N 3.19Å; L321-K325 WeakPolarHBondContact O-CG 3.4Å; L321-K325 PolarHBondContact O-N 2.96Å
322	E	92.3	Very high	91.6	Very high	137 Å²	137	65.6 Å²	65.6	64%	0.64	33%	0.33	S	S	*	.	H	α-helix	trans	-64.7	-40.5	173.9	-73.1	-173	164.6	0	0	112.4	D318 S319 F320 K325 K326	D318-E322 WeakPolarHBondContact O-CG 3.42Å; D318-E322 PolarHBondContact O-N 3.45Å; S319-E322 PolarHBondContact O-N 2.88Å; F320-E322 VanDerWaalsContact C-N 3.33Å; E322-K325 PolarHBondContact O-N 2.95Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 PolarHBondContact O-N 3.41Å
323	E	92.8	Very high	92.1	Very high	75 Å²	75	64.8 Å²	64.8	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-44.5	175.2	-75	173.3	-173.4	0	0	112.5	F276 S319 F320 K325 K326 F327	F276-E323 HydrophobicContact CE2-CB 4.18Å; F276-E323 HydrophobicContact CZ-CB 4.28Å; S319-E323 WeakPolarHBondContact O-CG 3.5Å; S319-E323 PolarHBondContact O-N 3.17Å; S319-E323 VanDerWaalsContact O-N 3.07Å; F320-E323 PolarHBondContact O-N 3.42Å; E323-K325 PolarHBondContact O-N 3.47Å; E323-K326 PolarHBondContact O-N 3.14Å; E323-F327 WeakPolarHBondContact O-CB 3.2Å; E323-F327 PolarHBondContact O-N 2.94Å
324	I	93.9	Very high	92.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-48.2	174.4	-72.4	173.8	0	0	0	110.2	F276 M308 F320 L321 K326 F327 I328 L370 C373	F276-I324 HydrophobicContact CE1-CG1 3.71Å; F276-I324 HydrophobicContact CZ-CG1 4.01Å; M308-I324 HydrophobicContact CE-CB 4.32Å; M308-I324 HydrophobicContact CE-CG2 4.07Å; M308-I324 HydrophobicContact SD-CG2 3.98Å; F320-I324 HydrophobicContact CD1-CD1 3.97Å; F320-I324 HydrophobicContact CE1-CD1 3.44Å; F320-I324 VanDerWaalsContact CE1-CD1 3.44Å; F320-I324 HydrophobicContact CE1-CG1 4.43Å; F320-I324 HydrophobicContact CE2-CD1 4.26Å; F320-I324 HydrophobicContact CE2-CG1 4.47Å; F320-I324 HydrophobicContact CZ-CD1 3.62Å; F320-I324 HydrophobicContact CZ-CG1 4.28Å; F320-I324 WeakPolarHBondContact O-CG1 3.38Å; F320-I324 PolarHBondContact O-N 3.14Å; L321-I324 PolarHBondContact O-N 3.19Å; I324-K326 VanDerWaalsContact C-N 3.32Å; I324-K326 PolarHBondContact O-N 2.84Å; I324-F327 PolarHBondContact O-N 3.22Å; I324-I328 HydrophobicContact CG2-CD1 3.73Å; I324-I328 HydrophobicContact CG2-CG1 4.36Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.5Å; I324-I328 PolarHBondContact O-N 3.06Å; I324-L370 HydrophobicContact CG2-CD2 3.55Å; I324-C373 HydrophobicContact CD1-CB 4.25Å
325	K	93.8	Very high	92.7	Very high	104 Å²	104	63 Å²	63	45%	0.452	31%	0.306	S	S	.	.	H	α-helix	trans	-59.7	-42.8	177.8	-76.5	174.1	178.5	175	0	111.8	M308 L321 E322 E323 F327 I328 K329	M308-K325 HydrophobicContact CE-CD 4.45Å; M308-K325 HydrophobicContact CE-CG 3.96Å; M308-K325 HydrophobicContact SD-CG 3.93Å; L321-K325 WeakPolarHBondContact O-CG 3.4Å; L321-K325 PolarHBondContact O-N 2.96Å; E322-K325 PolarHBondContact O-N 2.95Å; E323-K325 PolarHBondContact O-N 3.47Å; K325-F327 VanDerWaalsContact C-N 3.34Å; K325-F327 PolarHBondContact O-N 3.09Å; K325-I328 PolarHBondContact O-N 3.47Å; K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 3Å
326	K	95	Very high	92.9	Very high	153 Å²	153	64.1 Å²	64.1	67%	0.665	30%	0.302	S	S	*	.	H	α-helix	trans	-62.1	-42.1	176.8	-174.6	179.9	179.4	-178.4	0	111.5	E322 E323 I324 T330	E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 PolarHBondContact O-N 3.41Å; E323-K326 PolarHBondContact O-N 3.14Å; I324-K326 VanDerWaalsContact C-N 3.32Å; I324-K326 PolarHBondContact O-N 2.84Å; K326-T330 PolarHBondContact O-N 2.68Å; K326-T330 PolarHBondContact O-OG1 3.43Å
327	F	95.1	Very high	93.2	Very high	47 Å²	47	69.9 Å²	69.9	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-47.5	175.9	179.3	-102.8	0	0	0	111.9	F276 L280 E323 I324 K325 K329 T330 M331 F369	F276-F327 HydrophobicContact CB-CD1 3.85Å; F276-F327 HydrophobicContact CB-CD2 3.71Å; F276-F327 HydrophobicContact CB-CE1 3.83Å; F276-F327 HydrophobicContact CB-CE2 3.7Å; F276-F327 HydrophobicContact CB-CG 3.78Å; F276-F327 HydrophobicContact CB-CZ 3.76Å; F276-F327 HydrophobicContact CD2-CB 4.43Å; F276-F327 HydrophobicContact CD2-CG 4.44Å; F276-F327 HydrophobicContact CG-CD1 4.41Å; F276-F327 HydrophobicContact CG-CD2 4.43Å; F276-F327 HydrophobicContact CG-CG 4.21Å; L280-F327 HydrophobicContact CD2-CE1 4.14Å; L280-F327 HydrophobicContact CD2-CZ 4.19Å; E323-F327 WeakPolarHBondContact O-CB 3.2Å; E323-F327 PolarHBondContact O-N 2.94Å; I324-F327 PolarHBondContact O-N 3.22Å; K325-F327 VanDerWaalsContact C-N 3.34Å; K325-F327 PolarHBondContact O-N 3.09Å; F327-K329 VanDerWaalsContact C-N 3.34Å; F327-K329 PolarHBondContact O-N 3.29Å; F327-T330 PolarHBondContact O-N 3.15Å; F327-M331 PolarHBondContact O-N 2.73Å; F327-F369 HydrophobicContact CD1-CE1 4.32Å; F327-F369 AromaticContact CD1-CZ 3.86Å; F327-F369 HydrophobicContact CD1-CZ 3.86Å; F327-F369 HydrophobicContact CE1-CE1 4.38Å; F327-F369 HydrophobicContact CE1-CE2 4.28Å; F327-F369 AromaticContact CE1-CZ 3.73Å; F327-F369 HydrophobicContact CE1-CZ 3.73Å
328	I	94.8	Very high	93.4	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-42	177.8	-67.8	176.5	0	0	0	111	L300 A304 I324 K325 M331 S332 L366 L370	L300-I328 HydrophobicContact CD2-CG2 4.28Å; L300-I328 HydrophobicContact CG-CG2 4.08Å; A304-I328 HydrophobicContact CB-CD1 3.63Å; A304-I328 HydrophobicContact CB-CG2 3.99Å; I324-I328 HydrophobicContact CG2-CD1 3.73Å; I324-I328 HydrophobicContact CG2-CG1 4.36Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.5Å; I324-I328 PolarHBondContact O-N 3.06Å; K325-I328 PolarHBondContact O-N 3.47Å; I328-M331 WeakPolarHBondContact O-CB 3.39Å; I328-M331 PolarHBondContact O-N 3.34Å; I328-S332 WeakPolarHBondContact O-CB 3.24Å; I328-S332 PolarHBondContact O-N 3.23Å; I328-L366 HydrophobicContact CD1-CD1 4.33Å; I328-L370 HydrophobicContact CD1-CD2 4.07Å
329	K	94.7	Very high	93.5	Very high	128 Å²	128	62 Å²	62	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-59.5	-48.4	175.1	-175.3	177.6	178	-179.9	0	111.5	K325 F327 M331 S332 E333	K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 3Å; F327-K329 VanDerWaalsContact C-N 3.34Å; F327-K329 PolarHBondContact O-N 3.29Å; K329-M331 VanDerWaalsContact C-N 3.27Å; K329-M331 PolarHBondContact O-N 3.22Å; K329-S332 WeakPolarHBondContact O-CB 3.28Å; K329-S332 PolarHBondContact O-N 3.43Å; K329-S332 VanDerWaalsContact O-N 3.11Å; K329-S332 PolarHBondContact O-OG 3.45Å; K329-E333 WeakPolarHBondContact O-CG 3.41Å; K329-E333 PolarHBondContact O-N 3.28Å
330	T	95.1	Very high	93.5	Very high	85 Å²	85	64.1 Å²	64.1	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-40.3	177.9	-53.8	0	0	0	0	111.6	K326 F327 R334	K326-T330 PolarHBondContact O-N 2.68Å; K326-T330 PolarHBondContact O-OG1 3.43Å; F327-T330 PolarHBondContact O-N 3.15Å; T330-R334 PolarHBondContact O-N 2.7Å
331	M	93.3	Very high	93.6	Very high	12 Å²	12	72.1 Å²	72.1	6%	0.059	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-42.9	174.9	-179.2	171.4	70.6	0	0	112.2	L280 L300 F327 I328 K329 E333 R334 I335 I361	L280-M331 HydrophobicContact CD2-CE 4.46Å; L280-M331 HydrophobicContact CD2-SD 3.39Å; L280-M331 WeakPolarHBondContact CD2-SD 3.44Å; L300-M331 HydrophobicContact CD1-CE 3.7Å; L300-M331 HydrophobicContact CD2-CE 3.48Å; L300-M331 VanDerWaalsContact CD2-CE 3.48Å; L300-M331 HydrophobicContact CD2-CG 4.29Å; L300-M331 HydrophobicContact CG-CE 4.16Å; F327-M331 PolarHBondContact O-N 2.73Å; I328-M331 WeakPolarHBondContact O-CB 3.39Å; I328-M331 PolarHBondContact O-N 3.34Å; K329-M331 VanDerWaalsContact C-N 3.27Å; K329-M331 PolarHBondContact O-N 3.22Å; M331-E333 VanDerWaalsContact C-N 3.28Å; M331-E333 PolarHBondContact O-N 3.24Å; M331-R334 WeakPolarHBondContact O-CB 3.35Å; M331-R334 PolarHBondContact O-N 2.79Å; M331-R334 VanDerWaalsContact O-N 3.09Å; M331-I335 HydrophobicContact CG-CD1 4.24Å; M331-I335 WeakPolarHBondContact O-CG1 3.41Å; M331-I335 PolarHBondContact O-N 2.84Å; M331-I361 HydrophobicContact CE-CG1 4.25Å
332	S	94.1	Very high	93.5	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-39.6	178.2	85.5	0	0	0	0	111.7	I328 K329 I335 K336	I328-S332 WeakPolarHBondContact O-CB 3.24Å; I328-S332 PolarHBondContact O-N 3.23Å; K329-S332 WeakPolarHBondContact O-CB 3.28Å; K329-S332 PolarHBondContact O-N 3.43Å; K329-S332 VanDerWaalsContact O-N 3.11Å; K329-S332 PolarHBondContact O-OG 3.45Å; S332-I335 PolarHBondContact O-N 3.09Å; S332-K336 PolarHBondContact O-N 2.83Å
333	E	94.7	Very high	93.3	Very high	78 Å²	78	73.4 Å²	73.4	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-68	-34.5	176	-70.3	174.8	-168.2	0	0	112.2	K329 M331 K336 K337	K329-E333 WeakPolarHBondContact O-CG 3.41Å; K329-E333 PolarHBondContact O-N 3.28Å; M331-E333 VanDerWaalsContact C-N 3.28Å; M331-E333 PolarHBondContact O-N 3.24Å; E333-K336 PolarHBondContact O-N 2.9Å; E333-K337 WeakPolarHBondContact O-CG 3.46Å; E333-K337 PolarHBondContact O-N 2.68Å
334	R	93.3	Very high	93.2	Very high	113 Å²	113	70.5 Å²	70.5	43%	0.426	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-46.9	174.6	-166	178.9	88.1	-170.7	11.2	111	T330 M331 K336 K337 T338 D359	T330-R334 PolarHBondContact O-N 2.7Å; M331-R334 WeakPolarHBondContact O-CB 3.35Å; M331-R334 PolarHBondContact O-N 2.79Å; M331-R334 VanDerWaalsContact O-N 3.09Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.05Å; R334-K337 PolarHBondContact O-N 2.9Å; R334-T338 PolarHBondContact O-N 3.24Å; R334-T338 PolarHBondContact O-OG1 2.85Å; R334-D359 IonicContact CZ-OD1 2.75Å; R334-D359 IonicContact NE-OD1 3.77Å; R334-D359 PolarHBondContact NE-OD1 3.24Å; R334-D359 IonicContact NE-OD2 3.56Å; R334-D359 IonicContact NH2-OD1 3.78Å; R334-D359 PolarHBondContact NH2-OD1 3.35Å
335	I	92.8	Very high	92.9	Very high	2 Å²	2	74.6 Å²	74.6	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-47.8	176.3	-65.7	164.3	0	0	0	109.7	L300 M331 S332 T338 R339 D359 I361	L300-I335 HydrophobicContact CD2-CD1 3.81Å; M331-I335 HydrophobicContact CG-CD1 4.24Å; M331-I335 WeakPolarHBondContact O-CG1 3.41Å; M331-I335 PolarHBondContact O-N 2.84Å; S332-I335 PolarHBondContact O-N 3.09Å; I335-T338 PolarHBondContact O-N 2.96Å; I335-R339 HydrophobicContact CG2-CG 4.31Å; I335-R339 WeakPolarHBondContact O-CG 3.46Å; I335-R339 PolarHBondContact O-N 2.92Å; I335-D359 HydrophobicContact CG1-CB 3.99Å; I335-I361 HydrophobicContact CD1-CG2 3.67Å
336	K	93.3	Very high	92.5	Very high	100 Å²	100	73.7 Å²	73.7	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-57.6	-51.7	177.3	-165.5	-157.9	-177.2	165.2	0	111.9	Q297 S332 E333 R334 T338 R339 D340	Q297-K336 HydrophobicContact CB-CB 4.45Å; Q297-K336 VanDerWaalsContact OE1-CD 3.26Å; S332-K336 PolarHBondContact O-N 2.83Å; E333-K336 PolarHBondContact O-N 2.9Å; R334-K336 VanDerWaalsContact C-N 3.3Å; R334-K336 PolarHBondContact O-N 3.05Å; K336-T338 PolarHBondContact O-N 2.85Å; K336-R339 PolarHBondContact O-N 2.81Å; K336-R339 VanDerWaalsContact O-N 3.13Å; K336-D340 WeakPolarHBondContact CE-OD2 3.24Å; K336-D340 WeakPolarHBondContact O-CB 3.38Å; K336-D340 PolarHBondContact O-N 3.26Å
337	K	94.7	Very high	91.9	Very high	128 Å²	128	71.7 Å²	71.7	56%	0.557	35%	0.351	S	S	*	.	H	α-helix	trans	-56.8	-38.9	179.1	-75.8	172.4	-178.6	171.2	0	112.4	E333 R334 K341	E333-K337 WeakPolarHBondContact O-CG 3.46Å; E333-K337 PolarHBondContact O-N 2.68Å; R334-K337 PolarHBondContact O-N 2.9Å; K337-K341 WeakPolarHBondContact O-CB 3.16Å; K337-K341 WeakPolarHBondContact O-CD 3.41Å; K337-K341 WeakPolarHBondContact O-CG 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å; K337-K341 VanDerWaalsContact O-N 3.11Å
338	T	92.8	Very high	91.1	Very high	24 Å²	24	71.5 Å²	71.5	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-70.3	-45.9	177.2	-60.5	0	0	0	0	110.9	R334 I335 K336 D340 K341 Y342 L358 D359	R334-T338 PolarHBondContact O-N 3.24Å; R334-T338 PolarHBondContact O-OG1 2.85Å; I335-T338 PolarHBondContact O-N 2.96Å; K336-T338 PolarHBondContact O-N 2.85Å; T338-D340 PolarHBondContact O-N 3.43Å; T338-K341 PolarHBondContact O-N 3.47Å; T338-Y342 HydrophobicContact CG2-CD2 3.9Å; T338-Y342 HydrophobicContact CG2-CE2 4.18Å; T338-Y342 VanDerWaalsContact O-CD2 3.25Å; T338-Y342 WeakPolarHBondContact O-CD2 3.49Å; T338-Y342 PolarHBondContact O-N 3.49Å; T338-Y342 VanDerWaalsContact O-N 3.1Å; T338-L358 HydrophobicContact CG2-CB 3.83Å; T338-L358 HydrophobicContact CG2-CD1 3.77Å; T338-L358 HydrophobicContact CG2-CG 4.45Å; T338-D359 VanDerWaalsContact CB-OD2 3.22Å; T338-D359 WeakPolarHBondContact CB-OD2 3Å; T338-D359 PolarHBondContact OG1-OD2 3.26Å
339	R	91.3	Very high	90.6	Very high	17 Å²	17	76 Å²	76	6%	0.064	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-42.2	177.4	-67	-168.7	-174.1	-155.8	-3.5	112.3	A294 L295 I335 K336 K341 Y342 G343 I344 D346	A294-R339 PolarHBondContact O-NH2 3.17Å; L295-R339 VanDerWaalsContact C-NH2 3.33Å; L295-R339 PolarHBondContact O-NH2 3.22Å; I335-R339 HydrophobicContact CG2-CG 4.31Å; I335-R339 WeakPolarHBondContact O-CG 3.46Å; I335-R339 PolarHBondContact O-N 2.92Å; K336-R339 PolarHBondContact O-N 2.81Å; K336-R339 VanDerWaalsContact O-N 3.13Å; R339-K341 PolarHBondContact O-N 3.15Å; R339-Y342 PolarHBondContact O-N 3.47Å; R339-G343 WeakPolarHBondContact O-CA 3.39Å; R339-G343 PolarHBondContact O-N 2.9Å; R339-I344 HydrophobicContact CB-CB 4.02Å; R339-I344 HydrophobicContact CG-CB 3.92Å; R339-I344 HydrophobicContact CG-CD1 4.26Å; R339-I344 HydrophobicContact CG-CG2 4.27Å; R339-I344 PolarHBondContact O-N 3.31Å; R339-D346 VanDerWaalsContact CD-OD1 3.25Å; R339-D346 WeakPolarHBondContact CD-OD1 3.31Å; R339-D346 IonicContact CZ-OD1 3.24Å; R339-D346 IonicContact NE-OD1 3.3Å; R339-D346 IonicContact NH1-OD1 2.75Å; R339-D346 PolarHBondContact NH1-OD1 2.93Å
340	D	92.4	Very high	90.2	Very high	110 Å²	110	70.7 Å²	70.7	59%	0.588	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-41.8	176.4	-68.5	-15.1	0	0	0	111.7	K336 T338	K336-D340 WeakPolarHBondContact CE-OD2 3.24Å; K336-D340 WeakPolarHBondContact O-CB 3.38Å; K336-D340 PolarHBondContact O-N 3.26Å; T338-D340 PolarHBondContact O-N 3.43Å
341	K	93.1	Very high	89.6	Confident	170 Å²	170	75 Å²	75	74%	0.739	38%	0.382	S	S	*	.	H	α-helix	trans	-66.1	-36.3	178.4	-80.4	175	-178.9	-174.4	0	113.5	K337 T338 R339	K337-K341 WeakPolarHBondContact O-CB 3.16Å; K337-K341 WeakPolarHBondContact O-CD 3.41Å; K337-K341 WeakPolarHBondContact O-CG 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å; K337-K341 VanDerWaalsContact O-N 3.11Å; T338-K341 PolarHBondContact O-N 3.47Å; R339-K341 PolarHBondContact O-N 3.15Å
342	Y	90.2	Very high	89.4	Confident	137 Å²	137	77.9 Å²	77.9	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-104.8	2.2	-174.6	-68.3	-74.6	0	0	0	113.6	T338 R339 L358	T338-Y342 HydrophobicContact CG2-CD2 3.9Å; T338-Y342 HydrophobicContact CG2-CE2 4.18Å; T338-Y342 VanDerWaalsContact O-CD2 3.25Å; T338-Y342 WeakPolarHBondContact O-CD2 3.49Å; T338-Y342 PolarHBondContact O-N 3.49Å; T338-Y342 VanDerWaalsContact O-N 3.1Å; R339-Y342 PolarHBondContact O-N 3.47Å; Y342-L358 HydrophobicContact CD2-CD1 3.66Å; Y342-L358 HydrophobicContact CE2-CD1 3.77Å; Y342-L358 HydrophobicContact CG-CD1 4.22Å
343	G	88	Confident	89	Confident	54 Å²	54	85.4 Å²	85.4	56%	0.557	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	37.3	-179.7	0	0	0	0	0	114	R339	R339-G343 WeakPolarHBondContact O-CA 3.39Å; R339-G343 PolarHBondContact O-N 2.9Å
344	I	90.3	Very high	88.9	Confident	13 Å²	13	86.9 Å²	86.9	7%	0.067	45%	0.449	C	S	.	.			trans	-83.8	120.6	-176.9	-54.2	170.2	0	0	0	109.6	R339 L355 Y356 L358	R339-I344 HydrophobicContact CB-CB 4.02Å; R339-I344 HydrophobicContact CG-CB 3.92Å; R339-I344 HydrophobicContact CG-CD1 4.26Å; R339-I344 HydrophobicContact CG-CG2 4.27Å; R339-I344 PolarHBondContact O-N 3.31Å; I344-L355 HydrophobicContact CD1-CB 3.75Å; I344-L355 HydrophobicContact CG1-CB 3.96Å; I344-L355 HydrophobicContact CG1-CD1 4.17Å; I344-Y356 HydrophobicContact CG2-CD1 4.11Å; I344-Y356 HydrophobicContact CG2-CE1 3.54Å; I344-L358 HydrophobicContact CD1-CD1 4.48Å
345	N	88.1	Confident	88.7	Confident	86 Å²	86	83.4 Å²	83.4	46%	0.46	44%	0.438	S	S	.	.			trans	-77.8	142.4	174.3	-61	-32.1	0	0	0	111.4	N347 T350 Y356	N345-N347 VanDerWaalsContact C-N 3.28Å; N345-N347 WeakPolarHBondContact CB-OD1 3.21Å; N345-N347 PolarHBondContact O-N 2.91Å; N345-T350 HydrophobicContact CB-CG2 3.68Å; N345-Y356 PolarHBondContact O-OH 3.48Å
346	D	85.1	Confident	88.5	Confident	85 Å²	85	84.8 Å²	84.8	46%	0.455	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.4	-176.9	-65.6	-33.8	0	0	0	114.1	S296 R339 G348	S296-D346 WeakPolarHBondContact CB-OD1 3.21Å; R339-D346 VanDerWaalsContact CD-OD1 3.25Å; R339-D346 WeakPolarHBondContact CD-OD1 3.31Å; R339-D346 IonicContact CZ-OD1 3.24Å; R339-D346 IonicContact NE-OD1 3.3Å; R339-D346 IonicContact NH1-OD1 2.75Å; R339-D346 PolarHBondContact NH1-OD1 2.93Å; D346-G348 PolarHBondContact O-N 3.08Å
347	N	82.7	Confident	88.3	Confident	112 Å²	112	85.8 Å²	85.8	60%	0.599	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	2.5	-178.2	60.8	4.2	0	0	0	114.6	N345 T349	N345-N347 VanDerWaalsContact C-N 3.28Å; N345-N347 WeakPolarHBondContact CB-OD1 3.21Å; N345-N347 PolarHBondContact O-N 2.91Å; N347-T349 VanDerWaalsContact C-N 3.31Å; N347-T349 HydrophobicContact CB-CG2 4.43Å; N347-T349 PolarHBondContact O-N 2.78Å; N347-T349 PolarHBondContact OD1-N 3.35Å; N347-T349 PolarHBondContact OD1-OG1 3.07Å
348	G	78.5	Confident	88.1	Confident	42 Å²	42	83.8 Å²	83.8	43%	0.433	45%	0.445	S	S	.	.	S	Bend	trans	79.3	7.3	174.4	0	0	0	0	0	115.1	D346 Y356	D346-G348 PolarHBondContact O-N 3.08Å; G348-Y356 WeakPolarHBondContact CA-OH 3.5Å
349	T	85.2	Confident	88	Confident	98 Å²	98	83.7 Å²	83.7	60%	0.601	44%	0.444	S	S	*	.			trans	-94.8	1.8	-171.2	69.5	0	0	0	0	114.5	N347 E351 Y356	N347-T349 VanDerWaalsContact C-N 3.31Å; N347-T349 HydrophobicContact CB-CG2 4.43Å; N347-T349 PolarHBondContact O-N 2.78Å; N347-T349 PolarHBondContact OD1-N 3.35Å; N347-T349 PolarHBondContact OD1-OG1 3.07Å; T349-E351 PolarHBondContact O-N 3.24Å; T349-Y356 PolarHBondContact N-OH 2.75Å
350	T	85.1	Confident	88	Confident	17 Å²	17	84.5 Å²	84.5	10%	0.104	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-76.7	123	-177.2	58.4	0	0	0	0	112.5	N345 P352 Y356	N345-T350 HydrophobicContact CB-CG2 3.68Å; T350-P352 CarbonylContact O-C 3.31Å; T350-Y356 PolarHBondContact N-OH 3.3Å; T350-Y356 WeakPolarHBondContact OG1-CE2 3.34Å; T350-Y356 PolarHBondContact OG1-OH 2.76Å
351	E	82.8	Confident	88.1	Confident	176 Å²	176	79.3 Å²	79.3	82%	0.822	42%	0.419	S	S	*	.	S	Bend	trans	-84.4	124.8	164	-152.4	95.7	-129.7	0	0	107.7	T349	T349-E351 PolarHBondContact O-N 3.24Å
352	P	88.5	Confident	88.2	Confident	73 Å²	73	71.2 Å²	71.2	47%	0.474	38%	0.384	S	S	.	.	P	Polyproline II helix	cis	-91.1	143.4	6.4	33.1	-32.6	0	0	0	115.1	T350 V354 L355	T350-P352 CarbonylContact O-C 3.31Å; P352-V354 PolarHBondContact O-N 2.98Å; P352-L355 HydrophobicContact CG-CD1 4.24Å; P352-L355 HydrophobicContact CG-CG 4.12Å; P352-L355 WeakPolarHBondContact O-CG 3.2Å; P352-L355 PolarHBondContact O-N 3.31Å
353	K	86	Confident	88.4	Confident	158 Å²	158	66.7 Å²	66.7	69%	0.687	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.5	-179.7	-66.9	-175.9	179.9	178.4	0	115.3	L355 Y356	K353-L355 PolarHBondContact O-N 3.28Å; K353-Y356 PolarHBondContact O-N 3.07Å
354	V	92.3	Very high	88.8	Confident	110 Å²	110	66.3 Å²	66.3	67%	0.667	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-63	-26.9	177.7	-177.2	0	0	0	0	111.5	P352 Y356 Q357	P352-V354 PolarHBondContact O-N 2.98Å; V354-Y356 PolarHBondContact O-N 3.5Å; V354-Q357 VanDerWaalsContact O-CB 3.29Å; V354-Q357 WeakPolarHBondContact O-CB 3.36Å; V354-Q357 WeakPolarHBondContact O-CG 3.39Å; V354-Q357 PolarHBondContact O-N 2.96Å
355	L	89.2	Confident	89	Confident	39 Å²	39	65.9 Å²	65.9	20%	0.204	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30.4	179.3	-65.2	177.2	0	0	0	113	I344 P352 K353 Q357 L358	I344-L355 HydrophobicContact CD1-CB 3.75Å; I344-L355 HydrophobicContact CG1-CB 3.96Å; I344-L355 HydrophobicContact CG1-CD1 4.17Å; P352-L355 HydrophobicContact CG-CD1 4.24Å; P352-L355 HydrophobicContact CG-CG 4.12Å; P352-L355 WeakPolarHBondContact O-CG 3.2Å; P352-L355 PolarHBondContact O-N 3.31Å; K353-L355 PolarHBondContact O-N 3.28Å; L355-Q357 PolarHBondContact O-N 3.25Å; L355-L358 HydrophobicContact CD2-CD1 4.43Å; L355-L358 PolarHBondContact O-N 2.7Å
356	Y	88.3	Confident	89.3	Confident	31 Å²	31	61.8 Å²	61.8	12%	0.122	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-71	-6.8	176.7	-63.8	-78.1	0	0	0	114	A294 I344 N345 G348 T349 T350 K353 V354 R360	A294-Y356 HydrophobicContact CB-CD1 4.29Å; I344-Y356 HydrophobicContact CG2-CD1 4.11Å; I344-Y356 HydrophobicContact CG2-CE1 3.54Å; N345-Y356 PolarHBondContact O-OH 3.48Å; G348-Y356 WeakPolarHBondContact CA-OH 3.5Å; T349-Y356 PolarHBondContact N-OH 2.75Å; T350-Y356 PolarHBondContact N-OH 3.3Å; T350-Y356 WeakPolarHBondContact OG1-CE2 3.34Å; T350-Y356 PolarHBondContact OG1-OH 2.76Å; K353-Y356 PolarHBondContact O-N 3.07Å; V354-Y356 PolarHBondContact O-N 3.5Å; Y356-R360 VanDerWaalsContact O-CB 3.28Å; Y356-R360 WeakPolarHBondContact O-CB 3.23Å
357	Q	89.9	Confident	89.8	Confident	121 Å²	121	62.2 Å²	62.2	57%	0.565	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-84.2	-20.4	176.9	-59.5	-61.2	-22.3	0	0	113.5	V354 L355 D359	V354-Q357 VanDerWaalsContact O-CB 3.29Å; V354-Q357 WeakPolarHBondContact O-CB 3.36Å; V354-Q357 WeakPolarHBondContact O-CG 3.39Å; V354-Q357 PolarHBondContact O-N 2.96Å; L355-Q357 PolarHBondContact O-N 3.25Å; Q357-D359 PolarHBondContact O-N 3.49Å
358	L	90.3	Very high	90.4	Very high	86 Å²	86	61.5 Å²	61.5	45%	0.45	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-51.6	-172.3	-67.8	170.2	0	0	0	112.9	T338 Y342 I344 L355	T338-L358 HydrophobicContact CG2-CB 3.83Å; T338-L358 HydrophobicContact CG2-CD1 3.77Å; T338-L358 HydrophobicContact CG2-CG 4.45Å; Y342-L358 HydrophobicContact CD2-CD1 3.66Å; Y342-L358 HydrophobicContact CE2-CD1 3.77Å; Y342-L358 HydrophobicContact CG-CD1 4.22Å; I344-L358 HydrophobicContact CD1-CD1 4.48Å; L355-L358 HydrophobicContact CD2-CD1 4.43Å; L355-L358 PolarHBondContact O-N 2.7Å
359	D	90.5	Very high	91.2	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.123	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	48.1	179.6	-81	-48.7	0	0	0	110.7	R334 I335 T338 Q357 I361	R334-D359 IonicContact CZ-OD1 2.75Å; R334-D359 IonicContact NE-OD1 3.77Å; R334-D359 PolarHBondContact NE-OD1 3.24Å; R334-D359 IonicContact NE-OD2 3.56Å; R334-D359 IonicContact NH2-OD1 3.78Å; R334-D359 PolarHBondContact NH2-OD1 3.35Å; I335-D359 HydrophobicContact CG1-CB 3.99Å; T338-D359 VanDerWaalsContact CB-OD2 3.22Å; T338-D359 WeakPolarHBondContact CB-OD2 3Å; T338-D359 PolarHBondContact OG1-OD2 3.26Å; Q357-D359 PolarHBondContact O-N 3.49Å; D359-I361 PolarHBondContact O-N 3.43Å
360	R	92.5	Very high	91.7	Very high	34 Å²	34	54.8 Å²	54.8	13%	0.128	28%	0.275	C	S	.	.			trans	-66.2	130.2	-175.2	-162.9	161.6	179.7	-93.2	-3.4	111.9	R284 T288 C289 E292 A294 Y356	R284-R360 VanDerWaalsContact CZ-O 3.24Å; R284-R360 PolarHBondContact NE-O 3.48Å; R284-R360 VanDerWaalsContact NE-O 3.13Å; R284-R360 PolarHBondContact NH2-O 3.27Å; T288-R360 PolarHBondContact O-NH1 3.04Å; C289-R360 PolarHBondContact O-NH1 3.36Å; C289-R360 PolarHBondContact O-NH2 3.45Å; E292-R360 PolarHBondContact O-NH2 3.5Å; A294-R360 HydrophobicContact CB-CG 4.01Å; Y356-R360 VanDerWaalsContact O-CB 3.28Å; Y356-R360 WeakPolarHBondContact O-CB 3.23Å
361	I	94.5	Very high	92.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.			trans	-144	134.2	168.8	-174	63.1	0	0	0	108.4	L280 A294 L295 L300 M331 I335 D359 Q365	L280-I361 HydrophobicContact CD1-CD1 3.92Å; A294-I361 WeakPolarHBondContact CA-O 3.49Å; L295-I361 HydrophobicContact CB-CG2 4.15Å; L295-I361 PolarHBondContact N-O 3.38Å; L300-I361 HydrophobicContact CD1-CG1 4.2Å; L300-I361 HydrophobicContact CD1-CG2 4.24Å; M331-I361 HydrophobicContact CE-CG1 4.25Å; I335-I361 HydrophobicContact CD1-CG2 3.67Å; D359-I361 PolarHBondContact O-N 3.43Å; I361-Q365 HydrophobicContact CD1-CB 3.9Å
362	T	94.8	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.			trans	-114.9	159.1	-177.8	84.5	0	0	0	0	110.7	C289 E292 T364 Q365 L366	C289-T362 HydrophobicContact CB-CG2 4.36Å; E292-T362 HydrophobicContact CB-CG2 4.06Å; E292-T362 WeakPolarHBondContact OE2-CB 3.44Å; E292-T362 PolarHBondContact OE2-OG1 3.16Å; T362-T364 VanDerWaalsContact C-N 3.32Å; T362-T364 PolarHBondContact O-N 2.95Å; T362-Q365 PolarHBondContact O-N 3.5Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.16Å; T362-Q365 PolarHBondContact OG1-N 3.17Å; T362-L366 PolarHBondContact O-N 3.4Å
363	P	94	Very high	93.1	Very high	43 Å²	43	45.4 Å²	45.4	28%	0.279	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-39	179.7	23.2	-33.3	0	0	0	112.6	L295 Q365 L366 E367	L295-P363 HydrophobicContact CD1-CB 4.46Å; P363-Q365 PolarHBondContact O-N 3.35Å; P363-L366 WeakPolarHBondContact O-CB 3.42Å; P363-L366 PolarHBondContact O-N 2.94Å; P363-E367 PolarHBondContact O-N 2.67Å
364	T	95.3	Very high	93.6	Very high	45 Å²	45	41 Å²	41	28%	0.276	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-40.9	177.3	-62.8	0	0	0	0	111.8	E292 T362 L366 E367 K368	E292-T364 VanDerWaalsContact CD-OG1 3.22Å; E292-T364 VanDerWaalsContact OE1-CB 3.27Å; E292-T364 WeakPolarHBondContact OE1-CB 3.44Å; E292-T364 PolarHBondContact OE1-OG1 2.9Å; E292-T364 WeakPolarHBondContact OE2-CB 3.42Å; E292-T364 PolarHBondContact OE2-N 3.36Å; E292-T364 PolarHBondContact OE2-OG1 3.31Å; T362-T364 VanDerWaalsContact C-N 3.32Å; T362-T364 PolarHBondContact O-N 2.95Å; T364-L366 VanDerWaalsContact C-N 3.32Å; T364-L366 PolarHBondContact O-N 3.16Å; T364-E367 PolarHBondContact O-N 2.92Å; T364-K368 WeakPolarHBondContact O-CG 3.47Å; T364-K368 PolarHBondContact O-N 3.12Å
365	Q	95.4	Very high	93.7	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.2	-70.7	171.9	-10	0	0	111.5	I283 Y287 I361 T362 P363 K368 F369	I283-Q365 HydrophobicContact CG2-CB 4.19Å; I283-Q365 HydrophobicContact CG2-CG 4.47Å; I283-Q365 WeakPolarHBondContact CG2-O 3.35Å; Y287-Q365 WeakPolarHBondContact O-CG 3.48Å; Y287-Q365 PolarHBondContact O-NE2 3.38Å; I361-Q365 HydrophobicContact CD1-CB 3.9Å; T362-Q365 PolarHBondContact O-N 3.5Å; T362-Q365 WeakPolarHBondContact OG1-CG 3.16Å; T362-Q365 PolarHBondContact OG1-N 3.17Å; P363-Q365 PolarHBondContact O-N 3.35Å; Q365-K368 PolarHBondContact O-N 3.04Å; Q365-F369 WeakPolarHBondContact O-CB 3.39Å; Q365-F369 PolarHBondContact O-N 3.3Å
366	L	94.8	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-43.7	177.7	-176	65.3	0	0	0	111.9	L295 L300 T303 A304 I307 I328 T362 P363 T364 F369 L370	L295-L366 HydrophobicContact CD1-CD2 4.49Å; L300-L366 HydrophobicContact CD1-CD1 3.98Å; L300-L366 HydrophobicContact CD1-CD2 3.91Å; L300-L366 HydrophobicContact CD1-CG 4.48Å; T303-L366 HydrophobicContact CG2-CD2 3.9Å; A304-L366 HydrophobicContact CB-CD2 4.14Å; I307-L366 HydrophobicContact CD1-CD2 4.37Å; I307-L366 HydrophobicContact CD1-CG 4.37Å; I328-L366 HydrophobicContact CD1-CD1 4.33Å; T362-L366 PolarHBondContact O-N 3.4Å; P363-L366 WeakPolarHBondContact O-CB 3.42Å; P363-L366 PolarHBondContact O-N 2.94Å; T364-L366 VanDerWaalsContact C-N 3.32Å; T364-L366 PolarHBondContact O-N 3.16Å; L366-F369 PolarHBondContact O-N 3.5Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.48Å; L366-L370 HydrophobicContact CG-CD1 4.27Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.49Å
367	E	94.6	Very high	94.3	Very high	94 Å²	94	36.5 Å²	36.5	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-44.1	177.1	-175.2	167.7	-141	0	0	111.7	I307 K310 P363 T364 G371	I307-E367 HydrophobicContact CD1-CB 4.05Å; K310-E367 IonicContact NZ-OE1 2.93Å; K310-E367 PolarHBondContact NZ-OE1 3.3Å; P363-E367 PolarHBondContact O-N 2.67Å; T364-E367 PolarHBondContact O-N 2.92Å; E367-G371 PolarHBondContact O-N 3.49Å
368	K	95.6	Very high	94.5	Very high	96 Å²	96	33.9 Å²	33.9	42%	0.417	18%	0.175	S	C	.	.	H	α-helix	trans	-64	-42.3	174.8	-68.6	-62.3	-178.2	-173.9	0	112.1	I283 Y287 T364 Q365 G371 T372	I283-K368 HydrophobicContact CD1-CB 4.31Å; I283-K368 HydrophobicContact CG2-CB 3.93Å; Y287-K368 HydrophobicContact CD2-CB 4.45Å; Y287-K368 HydrophobicContact CD2-CG 4.29Å; Y287-K368 HydrophobicContact CE2-CB 4.46Å; Y287-K368 HydrophobicContact CE2-CD 4.46Å; Y287-K368 HydrophobicContact CE2-CG 4.21Å; T364-K368 WeakPolarHBondContact O-CG 3.47Å; T364-K368 PolarHBondContact O-N 3.12Å; Q365-K368 PolarHBondContact O-N 3.04Å; K368-G371 PolarHBondContact O-N 2.97Å; K368-T372 WeakPolarHBondContact O-CB 3.41Å; K368-T372 PolarHBondContact O-N 3.1Å; K368-T372 PolarHBondContact O-OG1 3.46Å
369	F	96.4	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-51.5	176.4	169.3	-102.2	0	0	0	111.9	F276 V279 L280 F327 Q365 L366 T372 C373	F276-F369 HydrophobicContact CB-CZ 4.29Å; F276-F369 HydrophobicContact CD1-CZ 4.01Å; V279-F369 HydrophobicContact CB-CD2 4.5Å; V279-F369 HydrophobicContact CB-CE2 4.26Å; V279-F369 HydrophobicContact CG1-CD2 3.98Å; V279-F369 HydrophobicContact CG1-CE2 4.13Å; L280-F369 HydrophobicContact CB-CD2 3.96Å; L280-F369 HydrophobicContact CB-CE2 3.96Å; L280-F369 HydrophobicContact CD1-CB 4.28Å; L280-F369 HydrophobicContact CD1-CD2 3.99Å; L280-F369 HydrophobicContact CD1-CG 4.09Å; F327-F369 HydrophobicContact CD1-CE1 4.32Å; F327-F369 AromaticContact CD1-CZ 3.86Å; F327-F369 HydrophobicContact CD1-CZ 3.86Å; F327-F369 HydrophobicContact CE1-CE1 4.38Å; F327-F369 HydrophobicContact CE1-CE2 4.28Å; F327-F369 AromaticContact CE1-CZ 3.73Å; F327-F369 HydrophobicContact CE1-CZ 3.73Å; Q365-F369 WeakPolarHBondContact O-CB 3.39Å; Q365-F369 PolarHBondContact O-N 3.3Å; L366-F369 PolarHBondContact O-N 3.5Å; F369-T372 PolarHBondContact O-N 3.09Å; F369-C373 WeakPolarHBondContact CE2-SG 3.48Å; F369-C373 VanDerWaalsContact CZ-SG 3.59Å; F369-C373 WeakPolarHBondContact O-CB 3.43Å; F369-C373 PolarHBondContact O-N 3.45Å; F369-C373 PolarHBondContact O-SG 3.3Å
370	L	95.4	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-41.6	179.6	-70.1	174.7	0	0	0	111.8	I307 M308 F313 I324 I328 L366 C373 R374	I307-L370 HydrophobicContact CB-CD1 3.78Å; I307-L370 HydrophobicContact CD1-CD1 4.12Å; I307-L370 HydrophobicContact CG2-CB 4.29Å; I307-L370 HydrophobicContact CG2-CD1 3.6Å; M308-L370 HydrophobicContact CG-CD1 4.29Å; M308-L370 HydrophobicContact CG-CD2 4.43Å; F313-L370 HydrophobicContact CE1-CB 4.29Å; F313-L370 HydrophobicContact CZ-CB 3.91Å; I324-L370 HydrophobicContact CG2-CD2 3.55Å; I328-L370 HydrophobicContact CD1-CD2 4.07Å; L366-L370 HydrophobicContact CD1-CD1 4.4Å; L366-L370 HydrophobicContact CD1-CG 4.48Å; L366-L370 HydrophobicContact CG-CD1 4.27Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.49Å; L370-C373 PolarHBondContact O-N 2.94Å; L370-R374 WeakPolarHBondContact O-CB 3.48Å; L370-R374 PolarHBondContact O-N 3.4Å
371	G	94.7	Very high	95.1	Very high	26 Å²	26	37 Å²	37	27%	0.268	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-45.9	175.6	0	0	0	0	0	112.8	E367 K368 D375	E367-G371 PolarHBondContact O-N 3.49Å; K368-G371 PolarHBondContact O-N 2.97Å; G371-D375 WeakPolarHBondContact O-CB 3.39Å; G371-D375 PolarHBondContact O-N 2.53Å
372	T	95.8	Very high	95.2	Very high	42 Å²	42	37.3 Å²	37.3	26%	0.258	18%	0.184	S	C	.	.	H	α-helix	trans	-65.7	-39.3	175.9	-61.4	0	0	0	0	111.9	V279 K368 F369 D375 K376	V279-T372 HydrophobicContact CG1-CG2 4.07Å; K368-T372 WeakPolarHBondContact O-CB 3.41Å; K368-T372 PolarHBondContact O-N 3.1Å; K368-T372 PolarHBondContact O-OG1 3.46Å; F369-T372 PolarHBondContact O-N 3.09Å; T372-D375 PolarHBondContact O-N 3.46Å; T372-K376 HydrophobicContact CG2-CD 4.02Å; T372-K376 HydrophobicContact CG2-CG 4.39Å; T372-K376 WeakPolarHBondContact O-CB 3.44Å; T372-K376 WeakPolarHBondContact O-CG 3.47Å; T372-K376 PolarHBondContact O-N 2.85Å
373	C	95.4	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-47.9	178.2	-71.2	0	0	0	0	111.7	L274 F320 I324 F369 L370 Y377	L274-C373 HydrophobicContact CD2-CB 3.86Å; F320-C373 HydrophobicContact CZ-CB 4.25Å; I324-C373 HydrophobicContact CD1-CB 4.25Å; F369-C373 WeakPolarHBondContact CE2-SG 3.48Å; F369-C373 VanDerWaalsContact CZ-SG 3.59Å; F369-C373 WeakPolarHBondContact O-CB 3.43Å; F369-C373 PolarHBondContact O-N 3.45Å; F369-C373 PolarHBondContact O-SG 3.3Å; L370-C373 PolarHBondContact O-N 2.94Å; C373-Y377 WeakPolarHBondContact O-CB 3.19Å; C373-Y377 PolarHBondContact O-N 3.46Å
374	R	94.8	Very high	95.5	Very high	66 Å²	66	44.5 Å²	44.5	25%	0.249	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-49.5	176	-175.1	-153.8	66.8	-174.5	3.3	111.7	D312 F313 L370 Y377 M378	D312-R374 WeakPolarHBondContact O-CD 3.43Å; D312-R374 IonicContact OD2-NH1 2.96Å; D312-R374 PolarHBondContact OD2-NH1 3.01Å; F313-R374 HydrophobicContact CD1-CB 4.36Å; F313-R374 HydrophobicContact CD1-CG 4.31Å; F313-R374 HydrophobicContact CE1-CB 3.82Å; F313-R374 HydrophobicContact CE1-CG 4.22Å; F313-R374 HydrophobicContact CZ-CB 4.41Å; L370-R374 WeakPolarHBondContact O-CB 3.48Å; L370-R374 PolarHBondContact O-N 3.4Å; R374-Y377 PolarHBondContact O-N 2.99Å; R374-M378 WeakPolarHBondContact O-CG 3.37Å; R374-M378 PolarHBondContact O-N 3.49Å
375	D	94.9	Very high	95.5	Very high	66 Å²	66	42.7 Å²	42.7	35%	0.353	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-47	-178.8	178	67.5	0	0	0	112.3	G371 T372 Y377 M378 R379	G371-D375 WeakPolarHBondContact O-CB 3.39Å; G371-D375 PolarHBondContact O-N 2.53Å; T372-D375 PolarHBondContact O-N 3.46Å; D375-Y377 VanDerWaalsContact C-N 3.31Å; D375-Y377 PolarHBondContact O-N 3.1Å; D375-M378 PolarHBondContact O-N 3.14Å; D375-R379 WeakPolarHBondContact O-CB 3.43Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 3.37Å; D375-R379 IonicContact OD1-NE 3.46Å; D375-R379 IonicContact OD2-CZ 2.66Å; D375-R379 VanDerWaalsContact OD2-CZ 3.23Å; D375-R379 IonicContact OD2-NE 2.65Å; D375-R379 PolarHBondContact OD2-NE 3.03Å; D375-R379 IonicContact OD2-NH2 3.85Å; D375-R379 PolarHBondContact OD2-NH2 3.4Å
376	K	95.2	Very high	95.6	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-39.1	175.7	-76.3	178.2	179.6	-83.6	0	111.9	R24 D25 E268 L274 T372 A380	R24-K376 PolarHBondContact O-NZ 3.43Å; D25-K376 IonicContact OD1-NZ 3.98Å; D25-K376 PolarHBondContact OD1-NZ 2.92Å; E268-K376 WeakPolarHBondContact OE1-CD 3.43Å; E268-K376 IonicContact OE1-NZ 2.81Å; E268-K376 PolarHBondContact OE1-NZ 2.99Å; E268-K376 IonicContact OE2-NZ 3.66Å; L274-K376 HydrophobicContact CD1-CB 3.97Å; L274-K376 HydrophobicContact CD2-CB 4.02Å; L274-K376 HydrophobicContact CD2-CD 4.18Å; L274-K376 HydrophobicContact CG-CB 4.13Å; L274-K376 HydrophobicContact CG-CD 4.4Å; T372-K376 HydrophobicContact CG2-CD 4.02Å; T372-K376 HydrophobicContact CG2-CG 4.39Å; T372-K376 WeakPolarHBondContact O-CB 3.44Å; T372-K376 WeakPolarHBondContact O-CG 3.47Å; T372-K376 PolarHBondContact O-N 2.85Å; K376-A380 VanDerWaalsContact O-CB 3.26Å; K376-A380 WeakPolarHBondContact O-CB 3.41Å; K376-A380 PolarHBondContact O-N 3.11Å
377	Y	95.2	Very high	95.7	Very high	6 Å²	6	45.4 Å²	45.4	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-47.3	177	-177.7	-96.8	0	0	0	112.2	L262 P273 C316 R317 F320 C373 R374 D375 R379 A380	L262-Y377 HydrophobicContact CD1-CE2 4.08Å; L262-Y377 HydrophobicContact CD2-CD2 4.45Å; L262-Y377 HydrophobicContact CD2-CE2 4.01Å; P273-Y377 HydrophobicContact CG-CD2 4.16Å; P273-Y377 HydrophobicContact CG-CE2 4.49Å; C316-Y377 HydrophobicContact CB-CE1 4.5Å; R317-Y377 WeakPolarHBondContact CD-OH 3.23Å; R317-Y377 WeakPolarHBondContact CG-OH 3.49Å; F320-Y377 HydrophobicContact CB-CD2 4.32Å; F320-Y377 HydrophobicContact CB-CE2 3.91Å; F320-Y377 HydrophobicContact CD1-CD1 4.18Å; F320-Y377 AromaticContact CD1-CD2 3.94Å; F320-Y377 HydrophobicContact CD1-CD2 3.94Å; F320-Y377 HydrophobicContact CD1-CE2 4.32Å; F320-Y377 AromaticContact CD1-CG 3.87Å; F320-Y377 HydrophobicContact CD1-CG 3.87Å; F320-Y377 AromaticContact CD2-CD2 3.65Å; F320-Y377 HydrophobicContact CD2-CD2 3.65Å; F320-Y377 AromaticContact CD2-CE2 3.97Å; F320-Y377 HydrophobicContact CD2-CE2 3.97Å; F320-Y377 HydrophobicContact CD2-CG 4.35Å; F320-Y377 HydrophobicContact CE1-CD1 4.38Å; F320-Y377 HydrophobicContact CE1-CD2 4.09Å; F320-Y377 AromaticContact CE1-CG 3.8Å; F320-Y377 HydrophobicContact CE1-CG 3.8Å; F320-Y377 AromaticContact CE2-CD2 3.82Å; F320-Y377 HydrophobicContact CE2-CD2 3.82Å; F320-Y377 HydrophobicContact CE2-CG 4.3Å; F320-Y377 AromaticContact CG-CD2 3.7Å; F320-Y377 HydrophobicContact CG-CD2 3.7Å; F320-Y377 AromaticContact CG-CE2 3.81Å; F320-Y377 HydrophobicContact CG-CE2 3.81Å; F320-Y377 HydrophobicContact CG-CG 4.13Å; F320-Y377 HydrophobicContact CZ-CD2 4.03Å; F320-Y377 HydrophobicContact CZ-CG 4.02Å; C373-Y377 WeakPolarHBondContact O-CB 3.19Å; C373-Y377 PolarHBondContact O-N 3.46Å; R374-Y377 PolarHBondContact O-N 2.99Å; D375-Y377 VanDerWaalsContact C-N 3.31Å; D375-Y377 PolarHBondContact O-N 3.1Å; Y377-R379 PolarHBondContact O-N 3Å; Y377-A380 PolarHBondContact O-N 3.18Å; Y377-A380 VanDerWaalsContact O-N 3.11Å
378	M	94.4	Very high	95.8	Very high	65 Å²	65	41 Å²	41	32%	0.32	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-40.5	179	-66.4	-58.1	-64.9	0	0	112	C315 R374 D375 A380 Q381	C315-M378 HydrophobicContact CB-CE 4.48Å; R374-M378 WeakPolarHBondContact O-CG 3.37Å; R374-M378 PolarHBondContact O-N 3.49Å; D375-M378 PolarHBondContact O-N 3.14Å; M378-A380 PolarHBondContact O-N 3.04Å; M378-Q381 PolarHBondContact O-N 3.35Å
379	R	94.5	Very high	95.9	Very high	141 Å²	141	36.4 Å²	36.4	53%	0.532	19%	0.189	S	C	.	.	H	α-helix	trans	-71.2	-14.3	174.9	-70.9	-170.8	-69.7	117.6	-5.9	114.1	D375 Y377 Q381	D375-R379 WeakPolarHBondContact O-CB 3.43Å; D375-R379 WeakPolarHBondContact O-CG 3.42Å; D375-R379 PolarHBondContact O-N 3.37Å; D375-R379 IonicContact OD1-NE 3.46Å; D375-R379 IonicContact OD2-CZ 2.66Å; D375-R379 VanDerWaalsContact OD2-CZ 3.23Å; D375-R379 IonicContact OD2-NE 2.65Å; D375-R379 PolarHBondContact OD2-NE 3.03Å; D375-R379 IonicContact OD2-NH2 3.85Å; D375-R379 PolarHBondContact OD2-NH2 3.4Å; Y377-R379 PolarHBondContact O-N 3Å; R379-Q381 VanDerWaalsContact C-N 3.35Å
380	A	96.1	Very high	95.9	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.6	177.1	0	0	0	0	0	112.9	L262 D263 A266 M267 P273 K376 Y377 M378	L262-A380 CarbonylContact C-O 3.48Å; L262-A380 WeakPolarHBondContact CA-O 3.44Å; L262-A380 HydrophobicContact CD2-CB 4.41Å; D263-A380 PolarHBondContact N-O 3.4Å; A266-A380 HydrophobicContact CB-CB 3.69Å; M267-A380 HydrophobicContact CE-CB 4.41Å; P273-A380 HydrophobicContact CB-CB 4.35Å; K376-A380 VanDerWaalsContact O-CB 3.26Å; K376-A380 WeakPolarHBondContact O-CB 3.41Å; K376-A380 PolarHBondContact O-N 3.11Å; Y377-A380 PolarHBondContact O-N 3.18Å; Y377-A380 VanDerWaalsContact O-N 3.11Å; M378-A380 PolarHBondContact O-N 3.04Å
381	Q	95.8	Very high	96	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-69.2	144.9	174.7	-67.4	-178.9	-10.9	0	0	110.9	G261 L262 M378 R379 E383	G261-Q381 WeakPolarHBondContact O-CA 3.44Å; L262-Q381 HydrophobicContact CD2-CG 4.16Å; M378-Q381 PolarHBondContact O-N 3.35Å; R379-Q381 VanDerWaalsContact C-N 3.35Å; Q381-E383 PolarHBondContact O-N 3.41Å
382	M	96.7	Very high	96.1	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.039	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-66	118	174.2	-179.1	57.4	71.3	0	0	109.7	Y257 G261 D263 S386 V388	Y257-M382 HydrophobicContact CD1-CB 3.98Å; Y257-M382 HydrophobicContact CD1-CE 3.86Å; Y257-M382 HydrophobicContact CD1-CG 4.05Å; Y257-M382 HydrophobicContact CE1-CE 3.38Å; Y257-M382 HydrophobicContact CG-CG 4.46Å; G261-M382 PolarHBondContact O-N 3.19Å; D263-M382 HydrophobicContact CB-CE 3.99Å; M382-S386 VanDerWaalsContact SD-CB 3.53Å; M382-V388 HydrophobicContact CE-CG1 3.85Å; M382-V388 HydrophobicContact CG-CG1 3.85Å; M382-V388 HydrophobicContact SD-CG1 3.66Å
383	E	96.7	Very high	96.1	Very high	143 Å²	143	38.1 Å²	38.1	67%	0.668	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-66.8	134.3	-177.8	-63.9	-176.4	167.4	0	0	111.2	Q381 S386	Q381-E383 PolarHBondContact O-N 3.41Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 3.07Å; E383-S386 PolarHBondContact O-OG 3.49Å
384	P	97.3	Very high	96	Very high	51 Å²	51	42.8 Å²	42.8	33%	0.331	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	142.2	170.9	-25.9	35.4	0	0	0	112	Y241 S386	Y241-P384 HydrophobicContact CD1-CB 3.72Å; Y241-P384 HydrophobicContact CD1-CG 4.03Å; Y241-P384 HydrophobicContact CE1-CB 3.92Å; Y241-P384 HydrophobicContact CE1-CG 4.41Å; Y241-P384 HydrophobicContact CG-CB 4.07Å; P384-S386 VanDerWaalsContact C-N 3.3Å
385	G	95.9	Very high	96	Very high	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-14.6	-173	0	0	0	0	0	114	C238 S239 A387 G711	C238-G385 VanDerWaalsContact SG-C 3.59Å; C238-G385 PolarHBondContact SG-O 3.28Å; S239-G385 PolarHBondContact O-N 2.99Å; G385-A387 PolarHBondContact O-N 3.23Å; G385-G711 WeakPolarHBondContact O-CA 3.26Å; G385-G711 PolarHBondContact O-N 2.99Å
386	S	97.4	Very high	95.9	Very high	31 Å²	31	38.3 Å²	38.3	22%	0.217	20%	0.2	C	C	.	.			trans	-57.5	131.4	178.1	-64.6	0	0	0	0	112	S239 M382 E383 P384 V388	S239-S386 PolarHBondContact N-O 3.19Å; M382-S386 VanDerWaalsContact SD-CB 3.53Å; E383-S386 WeakPolarHBondContact O-CB 3.5Å; E383-S386 PolarHBondContact O-N 3.07Å; E383-S386 PolarHBondContact O-OG 3.49Å; P384-S386 VanDerWaalsContact C-N 3.3Å; S386-V388 PolarHBondContact O-N 2.81Å
387	A	97.2	Very high	95.6	Very high	32 Å²	32	37.6 Å²	37.6	26%	0.264	20%	0.197	S	C	.	.			trans	-77.9	61.7	176.9	0	0	0	0	0	111.1	G385 G389 A390 L391 I710	G385-A387 PolarHBondContact O-N 3.23Å; A387-G389 PolarHBondContact O-N 2.99Å; A387-A390 HydrophobicContact CB-CB 4.3Å; A387-A390 PolarHBondContact O-N 3.27Å; A387-A390 VanDerWaalsContact O-N 3.13Å; A387-L391 PolarHBondContact O-N 2.76Å; A387-I710 HydrophobicContact CB-CD1 3.93Å
388	V	97.3	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-32.1	-171.2	-64.9	0	0	0	0	113.3	V245 Y257 M382 S386 C392 L644	V245-V388 HydrophobicContact CG1-CG2 3.86Å; V245-V388 HydrophobicContact CG2-CG2 4.42Å; Y257-V388 HydrophobicContact CD2-CB 4.33Å; Y257-V388 HydrophobicContact CD2-CG1 4.35Å; Y257-V388 HydrophobicContact CD2-CG2 4.44Å; Y257-V388 HydrophobicContact CE2-CB 3.98Å; Y257-V388 HydrophobicContact CE2-CG1 4.24Å; Y257-V388 HydrophobicContact CE2-CG2 4.45Å; M382-V388 HydrophobicContact CE-CG1 3.85Å; M382-V388 HydrophobicContact CG-CG1 3.85Å; M382-V388 HydrophobicContact SD-CG1 3.66Å; S386-V388 PolarHBondContact O-N 2.81Å; V388-C392 WeakPolarHBondContact O-CB 3.49Å; V388-C392 PolarHBondContact O-N 2.78Å; V388-L644 HydrophobicContact CB-CD2 4.28Å; V388-L644 HydrophobicContact CG2-CD2 4.07Å
389	G	96.8	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-42.2	176.5	0	0	0	0	0	113.2	L234 L237 A387 L391 C392 A393	L234-G389 WeakPolarHBondContact CB-O 3.32Å; L234-G389 WeakPolarHBondContact O-CA 3.33Å; L237-G389 PolarHBondContact O-N 3.22Å; A387-G389 PolarHBondContact O-N 2.99Å; G389-L391 PolarHBondContact O-N 3.16Å; G389-C392 WeakPolarHBondContact O-CB 3.09Å; G389-C392 PolarHBondContact O-N 3.22Å; G389-A393 PolarHBondContact O-N 2.98Å
390	A	96.4	Very high	93.9	Very high	27 Å²	27	33.7 Å²	33.7	22%	0.223	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-41.9	177.2	0	0	0	0	0	111.8	A387 A393 Q394	A387-A390 HydrophobicContact CB-CB 4.3Å; A387-A390 PolarHBondContact O-N 3.27Å; A387-A390 VanDerWaalsContact O-N 3.13Å; A390-A393 PolarHBondContact O-N 3.32Å; A390-Q394 WeakPolarHBondContact O-CG 3.23Å; A390-Q394 PolarHBondContact O-N 2.91Å; A390-Q394 VanDerWaalsContact O-N 3.14Å
391	L	96.8	Very high	93	Very high	77 Å²	77	36.7 Å²	36.7	40%	0.403	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-48.7	173.7	-65.1	175.2	0	0	0	110.9	A387 G389 A393 Q394 S395	A387-L391 PolarHBondContact O-N 2.76Å; G389-L391 PolarHBondContact O-N 3.16Å; L391-A393 VanDerWaalsContact C-N 3.34Å; L391-A393 PolarHBondContact O-N 3.47Å; L391-Q394 PolarHBondContact O-N 3.24Å; L391-S395 WeakPolarHBondContact O-CB 3.39Å; L391-S395 PolarHBondContact O-N 3.27Å; L391-S395 PolarHBondContact O-OG 3.44Å
392	C	96.7	Very high	91.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54.9	-46.5	175.7	176.3	0	0	0	0	112.8	L234 V388 G389 Q394 S395 I396 H641 L644	L234-C392 HydrophobicContact CD1-CB 4.39Å; V388-C392 WeakPolarHBondContact O-CB 3.49Å; V388-C392 PolarHBondContact O-N 2.78Å; G389-C392 WeakPolarHBondContact O-CB 3.09Å; G389-C392 PolarHBondContact O-N 3.22Å; C392-Q394 VanDerWaalsContact C-N 3.33Å; C392-Q394 PolarHBondContact O-N 2.82Å; C392-S395 PolarHBondContact O-N 3.17Å; C392-I396 WeakPolarHBondContact O-CG1 3.3Å; C392-I396 PolarHBondContact O-N 3.01Å; C392-H641 HydrophobicContact CB-CB 4.46Å; C392-H641 PolarHBondContact SG-O 3.31Å; C392-L644 HydrophobicContact CB-CD2 3.94Å
393	A	95.8	Very high	90.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-41.8	-179.8	0	0	0	0	0	112.1	L230 V231 L234 G389 A390 L391 G397	L230-A393 HydrophobicContact CB-CB 3.91Å; V231-A393 HydrophobicContact CB-CB 4.37Å; V231-A393 HydrophobicContact CG2-CB 3.75Å; L234-A393 HydrophobicContact CB-CB 4.28Å; L234-A393 HydrophobicContact CD1-CB 3.79Å; G389-A393 PolarHBondContact O-N 2.98Å; A390-A393 PolarHBondContact O-N 3.32Å; L391-A393 VanDerWaalsContact C-N 3.34Å; L391-A393 PolarHBondContact O-N 3.47Å; A393-G397 PolarHBondContact O-N 3.43Å
394	Q	95.1	Very high	88.9	Confident	99 Å²	99	34.8 Å²	34.8	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-71.6	-44.7	178.9	-69.3	179.6	-4.7	0	0	111.9	A390 L391 C392 I396 G397 E398	A390-Q394 WeakPolarHBondContact O-CG 3.23Å; A390-Q394 PolarHBondContact O-N 2.91Å; A390-Q394 VanDerWaalsContact O-N 3.14Å; L391-Q394 PolarHBondContact O-N 3.24Å; C392-Q394 VanDerWaalsContact C-N 3.33Å; C392-Q394 PolarHBondContact O-N 2.82Å; Q394-I396 PolarHBondContact O-N 3.36Å; Q394-G397 PolarHBondContact O-N 2.96Å; Q394-G397 VanDerWaalsContact O-N 3.17Å; Q394-E398 WeakPolarHBondContact O-CB 3.47Å; Q394-E398 PolarHBondContact O-N 2.86Å
395	S	94.4	Very high	86.9	Confident	37 Å²	37	34.5 Å²	34.5	26%	0.259	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-25.1	179.9	-60.5	0	0	0	0	113.5	L391 C392 P399 I637	L391-S395 WeakPolarHBondContact O-CB 3.39Å; L391-S395 PolarHBondContact O-N 3.27Å; L391-S395 PolarHBondContact O-OG 3.44Å; C392-S395 PolarHBondContact O-N 3.17Å; S395-P399 WeakPolarHBondContact O-CD 3.46Å; S395-P399 WeakPolarHBondContact O-CG 3.36Å; S395-I637 WeakPolarHBondContact O-CD1 3.14Å
396	I	92.4	Very high	84.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-92.5	-36.7	174.4	-62	173.8	0	0	0	111.4	L230 C392 Q394 M630 I637 V642 L645	L230-I396 HydrophobicContact CD1-CB 4.34Å; L230-I396 HydrophobicContact CD1-CG2 4.05Å; C392-I396 WeakPolarHBondContact O-CG1 3.3Å; C392-I396 PolarHBondContact O-N 3.01Å; Q394-I396 PolarHBondContact O-N 3.36Å; I396-M630 HydrophobicContact CG2-CE 4.22Å; I396-I637 HydrophobicContact CG1-CD1 4.41Å; I396-V642 HydrophobicContact CD1-CG1 4.29Å; I396-L645 HydrophobicContact CD1-CB 3.97Å; I396-L645 HydrophobicContact CD1-CD2 3.55Å; I396-L645 HydrophobicContact CD1-CG 4.37Å
397	G	89.9	Confident	82.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.3	-46.1	-177.4	0	0	0	0	0	114.4	A393 Q394 G400	A393-G397 PolarHBondContact O-N 3.43Å; Q394-G397 PolarHBondContact O-N 2.96Å; Q394-G397 VanDerWaalsContact O-N 3.17Å; G397-G400 PolarHBondContact O-N 3.17Å; G397-G400 VanDerWaalsContact O-N 3.1Å
398	E	86	Confident	79.9	Confident	113 Å²	113	44.2 Å²	44.2	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-46.2	-176.8	-178.2	-163.5	170.8	0	0	112.5	Q394 G400 T401	Q394-E398 WeakPolarHBondContact O-CB 3.47Å; Q394-E398 PolarHBondContact O-N 2.86Å; E398-G400 PolarHBondContact O-N 3.3Å; E398-G400 VanDerWaalsContact O-N 3.08Å; E398-T401 WeakPolarHBondContact O-CB 3.47Å; E398-T401 PolarHBondContact O-N 3.05Å; E398-T401 PolarHBondContact O-OG1 3.13Å
399	P	84	Confident	77.7	Confident	16 Å²	16	48 Å²	48	10%	0.104	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-28.8	175.2	-29.9	39.1	0	0	0	113.8	S395 T401 Q402 M403 M630 M635 I637	S395-P399 WeakPolarHBondContact O-CD 3.46Å; S395-P399 WeakPolarHBondContact O-CG 3.36Å; P399-T401 PolarHBondContact O-N 3.04Å; P399-Q402 PolarHBondContact O-N 3.48Å; P399-M403 PolarHBondContact O-N 3.03Å; P399-M630 HydrophobicContact CB-CE 4.39Å; P399-M630 HydrophobicContact CB-SD 3.96Å; P399-M635 HydrophobicContact CB-CE 3.62Å; P399-M635 HydrophobicContact CB-SD 3.56Å; P399-M635 VanDerWaalsContact CB-SD 3.56Å; P399-M635 VanDerWaalsContact O-SD 3.37Å; P399-I637 HydrophobicContact CG-CD1 4.06Å; P399-I637 HydrophobicContact CG-CG1 4.32Å
400	G	78.4	Confident	75.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-31.6	175.2	0	0	0	0	0	113.5	T223 G397 E398 Q402 V422	T223-G400 WeakPolarHBondContact CG2-O 3.49Å; G397-G400 PolarHBondContact O-N 3.17Å; G397-G400 VanDerWaalsContact O-N 3.1Å; E398-G400 PolarHBondContact O-N 3.3Å; E398-G400 VanDerWaalsContact O-N 3.08Å; G400-Q402 VanDerWaalsContact C-N 3.32Å; G400-V422 VanDerWaalsContact O-CG2 3.24Å; G400-V422 WeakPolarHBondContact O-CG2 3.49Å
401	T	77	Confident	73.2	Confident	65 Å²	65	52.7 Å²	52.7	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-70.8	-28.6	176.2	65.5	0	0	0	0	112.9	T223 E398 P399	T223-T401 HydrophobicContact CG2-CG2 4.43Å; T223-T401 WeakPolarHBondContact OG1-CG2 3.2Å; E398-T401 WeakPolarHBondContact O-CB 3.47Å; E398-T401 PolarHBondContact O-N 3.05Å; E398-T401 PolarHBondContact O-OG1 3.13Å; P399-T401 PolarHBondContact O-N 3.04Å
402	Q	71.9	Confident	70.8	Confident	123 Å²	123	52.5 Å²	52.5	58%	0.575	28%	0.282	S	S	*	.	H	α-helix	trans	-87.7	-24.9	-177.8	-58.1	-177.9	23.2	0	0	112.1	P399 G400 T404 M635	P399-Q402 PolarHBondContact O-N 3.48Å; G400-Q402 VanDerWaalsContact C-N 3.32Å; Q402-T404 PolarHBondContact O-N 2.85Å; Q402-M635 HydrophobicContact CB-SD 4.01Å
403	M	71.3	Confident	68.6	Low	1 Å²	1	53.6 Å²	53.6	1%	0.005	29%	0.288	C	S	.	.	S	Bend	trans	-58.4	135.2	173.2	-69	-174.6	179	0	0	110.5	K219 P399 G421 V422 I425 T629 M630 H633 M635	K219-M403 VanDerWaalsContact CD-O 3.24Å; K219-M403 WeakPolarHBondContact CD-O 3.4Å; K219-M403 WeakPolarHBondContact CE-O 3.41Å; K219-M403 PolarHBondContact NZ-O 3.22Å; P399-M403 PolarHBondContact O-N 3.03Å; M403-G421 WeakPolarHBondContact SD-CA 3.42Å; M403-V422 HydrophobicContact CB-CG2 3.96Å; M403-V422 HydrophobicContact SD-CG2 4.1Å; M403-I425 HydrophobicContact CE-CG1 4.09Å; M403-T629 HydrophobicContact CE-CG2 4.37Å; M403-M630 HydrophobicContact CE-CE 3.66Å; M403-M630 HydrophobicContact CE-CG 4.23Å; M403-M630 HydrophobicContact CE-SD 3.2Å; M403-M630 WeakPolarHBondContact CE-SD 3.47Å; M403-H633 HydrophobicContact CG-CB 4.38Å; M403-M635 HydrophobicContact CE-CE 3.12Å; M403-M635 HydrophobicContact CG-CE 3.19Å; M403-M635 HydrophobicContact CG-SD 4.16Å; M403-M635 HydrophobicContact SD-CE 3.95Å
404	T	58.7	Low	66.5	Low	51 Å²	51	55.7 Å²	55.7	31%	0.313	31%	0.306	S	S	.	.			trans	-77.4	145.4	166.7	57.6	0	0	0	0	109.7	Q402 K406	Q402-T404 PolarHBondContact O-N 2.85Å; T404-K406 PolarHBondContact O-N 2.9Å; T404-K406 WeakPolarHBondContact OG1-CB 3.25Å
405	L	56.3	Low	64.8	Low	46 Å²	46	51.7 Å²	51.7	24%	0.241	29%	0.289	C	S	.	.	S	Bend	trans	-68.6	15.8	166.9	-64.8	169.9	0	0	0	111.7	D215 V218 K219 T407	D215-L405 WeakPolarHBondContact OD1-CB 3.26Å; D215-L405 WeakPolarHBondContact OD1-CD1 3.3Å; D215-L405 WeakPolarHBondContact OD1-CG 3.38Å; D215-L405 PolarHBondContact OD1-N 3Å; D215-L405 VanDerWaalsContact OD1-N 3.11Å; V218-L405 HydrophobicContact CB-CD1 4.49Å; V218-L405 HydrophobicContact CG1-CD1 4.31Å; K219-L405 HydrophobicContact CG-CD1 4.49Å; K219-L405 HydrophobicContact CG-CG 4.19Å; L405-T407 WeakPolarHBondContact O-CG2 3.36Å; L405-T407 PolarHBondContact O-N 2.9Å; L405-T407 PolarHBondContact O-OG1 3.43Å
406	K	47.9	Very low	63.4	Low	148 Å²	148	50.1 Å²	50.1	64%	0.643	28%	0.278	S	S	*	.			trans	-63.7	91.8	166	-66.9	-173.7	176.6	-175.2	0	107.2	T404	T404-K406 PolarHBondContact O-N 2.9Å; T404-K406 WeakPolarHBondContact OG1-CB 3.25Å
407	T	47	Very low	62.2	Low	37 Å²	37	53.9 Å²	53.9	23%	0.227	30%	0.297	C	S	.	.			trans	-82.8	-3.9	-176.4	35.8	0	0	0	0	111.9	L405 P423	L405-T407 WeakPolarHBondContact O-CG2 3.36Å; L405-T407 PolarHBondContact O-N 2.9Å; L405-T407 PolarHBondContact O-OG1 3.43Å; T407-P423 HydrophobicContact CG2-CG 4.04Å
408	F	47.8	Very low	61.5	Low	87 Å²	87	54.9 Å²	54.9	38%	0.382	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	94.9	-174.9	-56.5	-73	0	0	0	110.5	S160 N417	S160-F408 VanDerWaalsContact O-CD2 3.3Å; S160-F408 WeakPolarHBondContact O-CD2 3.22Å; S160-F408 WeakPolarHBondContact O-CE2 3.5Å; F408-N417 HydrophobicContact CD1-CB 4.26Å; F408-N417 HydrophobicContact CE1-CB 4.45Å
409	H	50.8	Low	61.1	Low	79 Å²	79	50.7 Å²	50.7	37%	0.366	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128	147.1	-61.1	-100.5	0	0	0	108.2	L420	H409-L420 HydrophobicContact CB-CD1 3.46Å; H409-L420 VanDerWaalsContact CB-CD1 3.46Å
410	F	52.5	Low	61	Low	101 Å²	101	50 Å²	50	44%	0.443	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.6	164.1	-61.6	-70	0	0	0	107.8	G412 V413 A414 N417	F410-G412 PolarHBondContact O-N 3.08Å; F410-V413 WeakPolarHBondContact CB-O 3.4Å; F410-A414 VanDerWaalsContact CD1-C 3.45Å; F410-A414 WeakPolarHBondContact CD1-O 3.29Å; F410-A414 WeakPolarHBondContact CE1-O 3.09Å; F410-N417 WeakPolarHBondContact CE1-OD1 3.47Å
411	A	45.7	Very low	61.2	Low	25 Å²	25	50 Å²	50	21%	0.207	28%	0.28	C	S	.	.	S	Bend	trans	-68.9	40.6	-179.8	0	0	0	0	0	113.2	V413 I418	A411-V413 PolarHBondContact O-N 2.88Å; A411-I418 HydrophobicContact CB-CD1 3.42Å; A411-I418 VanDerWaalsContact CB-CD1 3.42Å; A411-I418 HydrophobicContact CB-CG1 4.14Å
412	G	47.1	Very low	61.7	Low	73 Å²	73	47.1 Å²	47.1	75%	0.753	26%	0.262	S	S	*	.	S	Bend	trans	74.6	-5.1	-161.2	0	0	0	0	0	114	F410	F410-G412 PolarHBondContact O-N 3.08Å
413	V	50.8	Low	62.4	Low	23 Å²	23	43.1 Å²	43.1	14%	0.139	25%	0.247	C	C	.	.	S	Bend	trans	-125.1	119.5	-178.1	-170.9	0	0	0	0	109.8	F410 A411 S415 M416 V566 H568 L581	F410-V413 WeakPolarHBondContact CB-O 3.4Å; A411-V413 PolarHBondContact O-N 2.88Å; V413-S415 WeakPolarHBondContact CG1-OG 3.34Å; V413-S415 PolarHBondContact O-N 2.86Å; V413-M416 PolarHBondContact O-N 2.71Å; V413-V566 HydrophobicContact CG1-CG1 4.19Å; V413-H568 HydrophobicContact CG2-CB 4.13Å; V413-H568 WeakPolarHBondContact CG2-CD2 3.45Å; V413-L581 HydrophobicContact CG2-CD1 4.22Å
414	A	51.4	Low	63.3	Low	45 Å²	45	43.2 Å²	43.2	37%	0.372	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-3.6	-172.9	0	0	0	0	0	116	F410	F410-A414 VanDerWaalsContact CD1-C 3.45Å; F410-A414 WeakPolarHBondContact CD1-O 3.29Å; F410-A414 WeakPolarHBondContact CE1-O 3.09Å
415	S	59	Low	64.9	Low	15 Å²	15	40.9 Å²	40.9	11%	0.105	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-11	-171.9	61	0	0	0	0	115.7	G96 V413 R564	G96-S415 WeakPolarHBondContact O-CB 3.43Å; V413-S415 WeakPolarHBondContact CG1-OG 3.34Å; V413-S415 PolarHBondContact O-N 2.86Å; S415-R564 PolarHBondContact O-NH1 2.92Å
416	M	64.6	Low	66.5	Low	4 Å²	4	43 Å²	43	2%	0.02	24%	0.24	C	C	.	.			trans	-115.3	106.8	-179.7	-75.4	-173	163.6	0	0	110.8	V413 I418 R564 V566 L581 E583	V413-M416 PolarHBondContact O-N 2.71Å; M416-I418 PolarHBondContact O-N 2.75Å; M416-R564 HydrophobicContact CE-CG 4.49Å; M416-V566 HydrophobicContact CE-CB 3.88Å; M416-V566 HydrophobicContact CE-CG2 3.72Å; M416-L581 HydrophobicContact CE-CB 4.01Å; M416-L581 WeakPolarHBondContact CE-O 3.41Å; M416-L581 HydrophobicContact SD-CB 3.61Å; M416-L581 HydrophobicContact SD-CD1 4.07Å; M416-E583 HydrophobicContact CE-CB 4.22Å
417	N	68.9	Low	68.7	Low	78 Å²	78	37.1 Å²	37.1	42%	0.417	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.4	175	-66	-22.7	0	0	0	108.7	F408 F410 T437	F408-N417 HydrophobicContact CD1-CB 4.26Å; F408-N417 HydrophobicContact CE1-CB 4.45Å; F410-N417 WeakPolarHBondContact CE1-OD1 3.47Å; N417-T437 WeakPolarHBondContact O-CG2 3.5Å
418	I	74.4	Confident	70.9	Confident	21 Å²	21	35.5 Å²	35.5	11%	0.108	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	175.2	-54.2	-164.5	0	0	0	108.9	A411 M416 L420 I439	A411-I418 HydrophobicContact CB-CD1 3.42Å; A411-I418 VanDerWaalsContact CB-CD1 3.42Å; A411-I418 HydrophobicContact CB-CG1 4.14Å; M416-I418 PolarHBondContact O-N 2.75Å; I418-L420 HydrophobicContact CG2-CD2 4.46Å; I418-L420 HydrophobicContact CG2-CG 4.35Å; I418-L420 PolarHBondContact O-N 3.39Å; I418-I439 HydrophobicContact CD1-CD1 3.56Å; I418-I439 HydrophobicContact CG1-CD1 3.5Å
419	T	77.8	Confident	73.2	Confident	26 Å²	26	31.3 Å²	31.3	16%	0.16	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	119.6	167.8	51.5	0	0	0	0	110.1	R424 E427 T437	T419-R424 VanDerWaalsContact O-CB 3.29Å; T419-R424 WeakPolarHBondContact O-CB 3.24Å; T419-R424 WeakPolarHBondContact O-CD 3.2Å; T419-R424 WeakPolarHBondContact O-CG 3.26Å; T419-E427 PolarHBondContact OG1-OE2 3.03Å; T419-T437 HydrophobicContact CG2-CG2 4.28Å; T419-T437 PolarHBondContact N-OG1 3.33Å; T419-T437 VanDerWaalsContact N-OG1 3.14Å; T419-T437 PolarHBondContact OG1-OG1 3.5Å
420	L	81	Confident	75.3	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	18%	0.178	C	C	.	.			trans	-127.9	171.1	175.7	-73.1	174.7	0	0	0	111.7	H409 I418 Y628 T629	H409-L420 HydrophobicContact CB-CD1 3.46Å; H409-L420 VanDerWaalsContact CB-CD1 3.46Å; I418-L420 HydrophobicContact CG2-CD2 4.46Å; I418-L420 HydrophobicContact CG2-CG 4.35Å; I418-L420 PolarHBondContact O-N 3.39Å; L420-Y628 HydrophobicContact CD2-CD1 4.39Å; L420-Y628 HydrophobicContact CD2-CE1 4.07Å; L420-T629 HydrophobicContact CD2-CG2 4.4Å
421	G	84.3	Confident	77.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	78.1	-149.1	179.5	0	0	0	0	0	112.7	M403 R424 I425 H633	M403-G421 WeakPolarHBondContact SD-CA 3.42Å; G421-R424 PolarHBondContact O-N 3.09Å; G421-R424 VanDerWaalsContact O-N 3.16Å; G421-I425 PolarHBondContact O-N 3.5Å; G421-I425 VanDerWaalsContact O-N 3.17Å; G421-H633 PolarHBondContact N-NE2 2.91Å
422	V	85.8	Confident	79.5	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-42.9	-176.6	-175.8	0	0	0	0	113.2	T223 M226 G400 M403 R424 I425 K426	T223-V422 HydrophobicContact CG2-CG1 4.29Å; T223-V422 HydrophobicContact CG2-CG2 4.1Å; M226-V422 HydrophobicContact SD-CG1 4.36Å; G400-V422 VanDerWaalsContact O-CG2 3.24Å; G400-V422 WeakPolarHBondContact O-CG2 3.49Å; M403-V422 HydrophobicContact CB-CG2 3.96Å; M403-V422 HydrophobicContact SD-CG2 4.1Å; V422-R424 VanDerWaalsContact C-N 3.26Å; V422-R424 PolarHBondContact O-N 3.19Å; V422-I425 PolarHBondContact O-N 2.96Å; V422-K426 WeakPolarHBondContact O-CB 3.37Å; V422-K426 PolarHBondContact O-N 3.4Å
423	P	87.8	Confident	81.7	Confident	39 Å²	39	28 Å²	28	25%	0.253	16%	0.156	S	C	.	.	H	α-helix	trans	-58.4	-38.1	177.3	-26.7	36.6	0	0	0	113	T407 K426 E427	T407-P423 HydrophobicContact CG2-CG 4.04Å; P423-K426 WeakPolarHBondContact O-CB 3.36Å; P423-K426 PolarHBondContact O-N 3.09Å; P423-E427 WeakPolarHBondContact O-CG 3.46Å; P423-E427 PolarHBondContact O-N 3.04Å
424	R	90.4	Very high	83.6	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-70	-45.3	179.1	-176.4	59	-174.7	157.1	5	112.2	T419 G421 V422 K426 E427 I428 N604 E625 T629	T419-R424 VanDerWaalsContact O-CB 3.29Å; T419-R424 WeakPolarHBondContact O-CB 3.24Å; T419-R424 WeakPolarHBondContact O-CD 3.2Å; T419-R424 WeakPolarHBondContact O-CG 3.26Å; G421-R424 PolarHBondContact O-N 3.09Å; G421-R424 VanDerWaalsContact O-N 3.16Å; V422-R424 VanDerWaalsContact C-N 3.26Å; V422-R424 PolarHBondContact O-N 3.19Å; R424-K426 PolarHBondContact O-N 2.97Å; R424-E427 IonicContact NH1-OE2 3.84Å; R424-E427 PolarHBondContact NH1-OE2 3.22Å; R424-E427 WeakPolarHBondContact O-CB 3.13Å; R424-E427 PolarHBondContact O-N 3.19Å; R424-E427 VanDerWaalsContact O-N 3.16Å; R424-I428 HydrophobicContact CG-CD1 4.1Å; R424-I428 WeakPolarHBondContact O-CG1 3.29Å; R424-I428 PolarHBondContact O-N 2.81Å; R424-N604 PolarHBondContact NH2-O 3.02Å; R424-E625 IonicContact CZ-OE2 3.82Å; R424-E625 IonicContact NE-OE2 2.63Å; R424-E625 PolarHBondContact NE-OE2 2.66Å; R424-E625 IonicContact NH2-OE2 3.15Å; R424-E625 PolarHBondContact NH2-OE2 3.4Å; R424-T629 HydrophobicContact CB-CG2 4.17Å; R424-T629 HydrophobicContact CG-CG2 4.27Å
425	I	91.2	Very high	85.5	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-41.8	173.4	-61.5	-58.5	0	0	0	110.1	M226 M403 G421 V422 E427 I428 I429 I626 T629 M630	M226-I425 HydrophobicContact SD-CG2 3.87Å; M403-I425 HydrophobicContact CE-CG1 4.09Å; G421-I425 PolarHBondContact O-N 3.5Å; G421-I425 VanDerWaalsContact O-N 3.17Å; V422-I425 PolarHBondContact O-N 2.96Å; I425-E427 PolarHBondContact O-N 3.44Å; I425-I428 PolarHBondContact O-N 3.06Å; I425-I429 HydrophobicContact CG2-CG2 4.16Å; I425-I429 WeakPolarHBondContact O-CG1 3.47Å; I425-I429 WeakPolarHBondContact O-CG2 3.46Å; I425-I429 PolarHBondContact O-N 3.08Å; I425-I626 HydrophobicContact CD1-CB 4.38Å; I425-I626 HydrophobicContact CD1-CG1 4.28Å; I425-I626 HydrophobicContact CD1-CG2 4.07Å; I425-T629 HydrophobicContact CD1-CG2 3.83Å; I425-T629 HydrophobicContact CG1-CG2 4.01Å; I425-M630 HydrophobicContact CD1-CE 4.02Å; I425-M630 HydrophobicContact CG1-CE 4.21Å
426	K	91.2	Very high	86.9	Confident	90 Å²	90	35.5 Å²	35.5	39%	0.391	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-43.3	175.8	-175.8	-179.8	178.9	-177.6	0	112.4	V422 P423 R424 I429 N430	V422-K426 WeakPolarHBondContact O-CB 3.37Å; V422-K426 PolarHBondContact O-N 3.4Å; P423-K426 WeakPolarHBondContact O-CB 3.36Å; P423-K426 PolarHBondContact O-N 3.09Å; R424-K426 PolarHBondContact O-N 2.97Å; K426-I429 WeakPolarHBondContact O-CG1 3.06Å; K426-N430 WeakPolarHBondContact O-CB 3.44Å; K426-N430 PolarHBondContact O-N 2.99Å; K426-N430 PolarHBondContact O-ND2 2.84Å; K426-N430 VanDerWaalsContact O-ND2 3.12Å; K426-N430 PolarHBondContact O-OD1 2.9Å
427	E	93.2	Very high	88	Confident	25 Å²	25	36.4 Å²	36.4	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-46	174.9	-75.1	178.7	161.1	0	0	111.5	T419 P423 R424 I425 N430 A431 S432 I435 S436	T419-E427 PolarHBondContact OG1-OE2 3.03Å; P423-E427 WeakPolarHBondContact O-CG 3.46Å; P423-E427 PolarHBondContact O-N 3.04Å; R424-E427 IonicContact NH1-OE2 3.84Å; R424-E427 PolarHBondContact NH1-OE2 3.22Å; R424-E427 WeakPolarHBondContact O-CB 3.13Å; R424-E427 PolarHBondContact O-N 3.19Å; R424-E427 VanDerWaalsContact O-N 3.16Å; I425-E427 PolarHBondContact O-N 3.44Å; E427-N430 PolarHBondContact O-N 2.89Å; E427-A431 PolarHBondContact O-N 3.34Å; E427-S432 PolarHBondContact O-N 3.11Å; E427-I435 HydrophobicContact CB-CG2 4.3Å; E427-S436 WeakPolarHBondContact OE1-CB 3.31Å; E427-S436 PolarHBondContact OE1-N 3.14Å; E427-S436 PolarHBondContact OE1-OG 3.27Å
428	I	94.5	Very high	89.1	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-52.9	-178.6	-61.6	159.7	0	0	0	110.9	R424 I425 N430 A431 I622 E625 I626	R424-I428 HydrophobicContact CG-CD1 4.1Å; R424-I428 WeakPolarHBondContact O-CG1 3.29Å; R424-I428 PolarHBondContact O-N 2.81Å; I425-I428 PolarHBondContact O-N 3.06Å; I428-N430 PolarHBondContact O-N 2.87Å; I428-A431 PolarHBondContact O-N 3.24Å; I428-I622 HydrophobicContact CG2-CG1 4.46Å; I428-I622 HydrophobicContact CG2-CG2 4.08Å; I428-E625 HydrophobicContact CD1-CB 3.7Å; I428-E625 HydrophobicContact CG1-CB 4.41Å; I428-I626 HydrophobicContact CD1-CG1 4.1Å; I428-I626 HydrophobicContact CG2-CD1 4.05Å; I428-I626 HydrophobicContact CG2-CG1 3.91Å
429	I	94.6	Very high	90	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-25.8	-178.6	69.6	-176.1	0	0	0	112.3	M226 L230 I425 K426 A431 L645 G657 I658	M226-I429 HydrophobicContact CG-CD1 3.56Å; M226-I429 HydrophobicContact SD-CD1 4.08Å; L230-I429 HydrophobicContact CD2-CG2 4.39Å; I425-I429 HydrophobicContact CG2-CG2 4.16Å; I425-I429 WeakPolarHBondContact O-CG1 3.47Å; I425-I429 WeakPolarHBondContact O-CG2 3.46Å; I425-I429 PolarHBondContact O-N 3.08Å; K426-I429 WeakPolarHBondContact O-CG1 3.06Å; I429-A431 PolarHBondContact O-N 3.23Å; I429-L645 HydrophobicContact CG2-CD2 4.32Å; I429-G657 CarbonylContact O-C 3.53Å; I429-G657 VanDerWaalsContact O-CA 3.31Å; I429-G657 WeakPolarHBondContact O-CA 3.33Å; I429-I658 HydrophobicContact CB-CB 4.48Å; I429-I658 HydrophobicContact CB-CG1 4.33Å; I429-I658 PolarHBondContact O-N 3.49Å
430	N	94.5	Very high	90.8	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-74.8	-16	175.7	-74.6	-15.7	0	0	0	112.4	R229 K426 E427 I428 S432 T659	R229-N430 VanDerWaalsContact CZ-OD1 3.25Å; R229-N430 PolarHBondContact NH1-OD1 3.44Å; R229-N430 PolarHBondContact NH2-OD1 3.44Å; K426-N430 WeakPolarHBondContact O-CB 3.44Å; K426-N430 PolarHBondContact O-N 2.99Å; K426-N430 PolarHBondContact O-ND2 2.84Å; K426-N430 VanDerWaalsContact O-ND2 3.12Å; K426-N430 PolarHBondContact O-OD1 2.9Å; E427-N430 PolarHBondContact O-N 2.89Å; I428-N430 PolarHBondContact O-N 2.87Å; N430-S432 PolarHBondContact O-N 2.9Å; N430-T659 HydrophobicContact CB-CG2 4.19Å
431	A	94.7	Very high	91.4	Very high	19 Å²	19	33.3 Å²	33.3	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	45.4	-168.3	0	0	0	0	0	111.4	E427 I428 I429 K433 M649 I655	E427-A431 PolarHBondContact O-N 3.34Å; I428-A431 PolarHBondContact O-N 3.24Å; I429-A431 PolarHBondContact O-N 3.23Å; A431-K433 PolarHBondContact O-N 2.97Å; A431-M649 HydrophobicContact CB-CE 4.27Å; A431-I655 HydrophobicContact CB-CG2 3.69Å
432	S	93.3	Very high	91.9	Very high	38 Å²	38	33.3 Å²	33.3	27%	0.266	18%	0.184	S	C	.	.			trans	-64.4	129.6	-179.7	-66.7	0	0	0	0	110.5	E427 N430 N434	E427-S432 PolarHBondContact O-N 3.11Å; N430-S432 PolarHBondContact O-N 2.9Å; S432-N434 PolarHBondContact O-N 3.21Å
433	K	92.6	Very high	92.2	Very high	118 Å²	118	34.8 Å²	34.8	51%	0.513	19%	0.191	S	C	.	.	S	Bend	trans	-64.2	-40.1	178.5	-61.5	-173.6	178.4	-170	0	112.8	A431 N605 Y607	A431-K433 PolarHBondContact O-N 2.97Å; K433-N605 PolarHBondContact O-ND2 3.09Å; K433-N605 VanDerWaalsContact O-ND2 3.08Å; K433-Y607 HydrophobicContact CB-CD1 4.11Å; K433-Y607 HydrophobicContact CB-CE1 4.26Å; K433-Y607 HydrophobicContact CB-CG 4.33Å; K433-Y607 HydrophobicContact CD-CE1 4.21Å; K433-Y607 HydrophobicContact CD-CE2 4.04Å; K433-Y607 HydrophobicContact CG-CD1 4.23Å; K433-Y607 HydrophobicContact CG-CD2 4.04Å; K433-Y607 HydrophobicContact CG-CE1 4.18Å; K433-Y607 HydrophobicContact CG-CE2 3.99Å; K433-Y607 HydrophobicContact CG-CG 4.14Å
434	N	90.8	Very high	92.5	Very high	133 Å²	133	33.1 Å²	33.1	71%	0.711	18%	0.18	S	C	*	.	S	Bend	trans	-111.6	126.4	177.6	-58.6	-11	0	0	0	108	S432	S432-N434 PolarHBondContact O-N 3.21Å
435	I	92.1	Very high	92.6	Very high	20 Å²	20	37.2 Å²	37.2	10%	0.103	20%	0.202	C	C	.	.			trans	-113.7	160.1	177.2	59.5	170.4	0	0	0	109.9	E427 P438 N604 N605	E427-I435 HydrophobicContact CB-CG2 4.3Å; I435-P438 HydrophobicContact CD1-CB 4.05Å; I435-P438 HydrophobicContact CG1-CB 3.88Å; I435-N604 WeakPolarHBondContact CD1-OD1 3.46Å; I435-N605 HydrophobicContact CD1-CB 3.8Å; I435-N605 HydrophobicContact CG1-CB 4.3Å
436	S	87.5	Confident	92.6	Very high	86 Å²	86	40.4 Å²	40.4	60%	0.601	22%	0.221	S	C	*	.	S	Bend	trans	-69.9	-37.1	-171.4	-48.2	0	0	0	0	113.2	E427	E427-S436 WeakPolarHBondContact OE1-CB 3.31Å; E427-S436 PolarHBondContact OE1-N 3.14Å; E427-S436 PolarHBondContact OE1-OG 3.27Å
437	T	88.3	Confident	92.4	Very high	23 Å²	23	37.5 Å²	37.5	14%	0.141	21%	0.209	C	C	.	.	S	Bend	trans	-133.5	76.3	-176	54.8	0	0	0	0	110.4	N417 T419 I439 N604	N417-T437 WeakPolarHBondContact O-CG2 3.5Å; T419-T437 HydrophobicContact CG2-CG2 4.28Å; T419-T437 PolarHBondContact N-OG1 3.33Å; T419-T437 VanDerWaalsContact N-OG1 3.14Å; T419-T437 PolarHBondContact OG1-OG1 3.5Å; T437-I439 PolarHBondContact O-N 3.35Å; T437-N604 PolarHBondContact O-ND2 3.49Å
438	P	92.2	Very high	92.1	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.084	23%	0.231	C	C	.	.			trans	-75.5	122.3	178.9	31.1	-33	0	0	0	110.7	I435 E583 G584 D585 N604	I435-P438 HydrophobicContact CD1-CB 4.05Å; I435-P438 HydrophobicContact CG1-CB 3.88Å; P438-E583 CarbonylContact O-C 3.56Å; P438-E583 WeakPolarHBondContact O-CA 3.35Å; P438-G584 PolarHBondContact O-N 3.41Å; P438-D585 WeakPolarHBondContact CB-OD1 3.33Å; P438-D585 WeakPolarHBondContact CG-OD1 3.48Å; P438-N604 WeakPolarHBondContact CA-OD1 3.37Å
439	I	92.4	Very high	91.8	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.4	-178	-61.4	174.5	0	0	0	109.1	I418 T437 V582 N604	I418-I439 HydrophobicContact CD1-CD1 3.56Å; I418-I439 HydrophobicContact CG1-CD1 3.5Å; T437-I439 PolarHBondContact O-N 3.35Å; I439-V582 WeakPolarHBondContact CA-O 3.23Å; I439-N604 PolarHBondContact N-ND2 2.91Å; I439-N604 PolarHBondContact N-OD1 3.26Å; I439-N604 PolarHBondContact O-N 3.07Å; I439-N604 VanDerWaalsContact O-N 3.15Å; I439-N604 PolarHBondContact O-OD1 3.05Å
440	I	94.8	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121	171.8	-59.7	159.1	0	0	0	107.3	V582 G584 M587 V590 T601 T602	I440-V582 HydrophobicContact CB-CB 4.21Å; I440-V582 PolarHBondContact N-O 3.16Å; I440-V582 PolarHBondContact O-N 2.86Å; I440-G584 VanDerWaalsContact CD1-O 3.28Å; I440-G584 WeakPolarHBondContact CD1-O 3.43Å; I440-M587 HydrophobicContact CD1-CB 4.29Å; I440-V590 HydrophobicContact CD1-CG2 4.07Å; I440-V590 HydrophobicContact CG2-CB 4.38Å; I440-V590 HydrophobicContact CG2-CG1 3.99Å; I440-T601 HydrophobicContact CG2-CG2 3.6Å; I440-T602 CarbonylContact C-O 3.52Å; I440-T602 VanDerWaalsContact CA-O 3.31Å; I440-T602 WeakPolarHBondContact CA-O 3.25Å; I440-T602 WeakPolarHBondContact CG2-O 3.06Å
441	T	93.6	Very high	91.2	Very high	35 Å²	35	47.1 Å²	47.1	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.8	173.5	-59.6	0	0	0	0	108.4	L581 T601 T602	T441-L581 HydrophobicContact CG2-CD2 4.02Å; T441-T601 WeakPolarHBondContact O-CA 3.33Å; T441-T602 PolarHBondContact N-O 3.15Å; T441-T602 PolarHBondContact O-N 2.84Å
442	A	94.1	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.2	179.8	0	0	0	0	0	110.7	L580 V582 V590 V596 T601	A442-L580 HydrophobicContact CB-CB 4.25Å; A442-L580 PolarHBondContact N-O 3.26Å; A442-L580 PolarHBondContact O-N 3.19Å; A442-V582 HydrophobicContact CB-CG2 4.4Å; A442-V590 HydrophobicContact CB-CG1 3.89Å; A442-V596 HydrophobicContact CB-CG1 3.95Å; A442-T601 HydrophobicContact CB-CG2 4.4Å
443	H	93.2	Very high	91	Very high	36 Å²	36	46.4 Å²	46.4	17%	0.167	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	138.9	171.3	-73.4	-88.6	0	0	0	109.5	E447 N597 R600	H443-E447 IonicContact ND1-OE1 3.59Å; H443-N597 HydrophobicContact CB-CB 4.32Å; H443-N597 PolarHBondContact O-N 3.47Å; H443-R600 HydrophobicContact CB-CB 4.08Å; H443-R600 PolarHBondContact CD2-O 3.4Å
444	L	93.6	Very high	90.9	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-88.1	150	178	-58.2	177.7	0	0	0	110.1	V446 E447 A453 V456 L580	L444-V446 VanDerWaalsContact C-N 3.33Å; L444-E447 WeakPolarHBondContact O-CG 3.44Å; L444-A453 HydrophobicContact CD1-CB 3.49Å; L444-A453 VanDerWaalsContact CD1-CB 3.49Å; L444-V456 HydrophobicContact CD2-CB 4.05Å; L444-V456 HydrophobicContact CD2-CG1 3.76Å; L444-V456 HydrophobicContact CD2-CG2 4.44Å; L444-L580 HydrophobicContact CD2-CB 4.44Å
445	D	91.8	Very high	91	Very high	90 Å²	90	42.9 Å²	42.9	48%	0.481	23%	0.23	S	C	.	.	S	Bend	trans	-67.3	-38.3	173	-66.6	-38.2	0	0	0	111.3	G595 N597	D445-G595 PolarHBondContact N-O 3.26Å; D445-G595 WeakPolarHBondContact OD2-CA 3.18Å; D445-N597 VanDerWaalsContact OD1-CA 3.27Å; D445-N597 WeakPolarHBondContact OD1-CA 3.4Å; D445-N597 VanDerWaalsContact OD1-CB 3.27Å; D445-N597 WeakPolarHBondContact OD1-CB 3.5Å; D445-N597 PolarHBondContact OD1-N 3.38Å
446	V	91.1	Very high	91.1	Very high	68 Å²	68	41.9 Å²	41.9	41%	0.412	23%	0.225	S	C	.	.	S	Bend	trans	-111.1	100.8	173.6	-176	0	0	0	0	108.3	L444 D449 F452	L444-V446 VanDerWaalsContact C-N 3.33Å; V446-D449 HydrophobicContact CG1-CB 4.24Å; V446-F452 HydrophobicContact CB-CD1 3.69Å; V446-F452 HydrophobicContact CB-CE1 3.91Å; V446-F452 HydrophobicContact CB-CG 4.06Å; V446-F452 HydrophobicContact CB-CZ 4.46Å; V446-F452 HydrophobicContact CG2-CD1 4.38Å; V446-F452 HydrophobicContact CG2-CE1 4.22Å; V446-F452 HydrophobicContact CG2-CZ 4.31Å
447	E	87.4	Confident	91.3	Very high	29 Å²	29	40.4 Å²	40.4	14%	0.136	21%	0.208	C	C	.	.			trans	-85.6	-13.4	-175	-61.2	179.8	164.1	0	0	113.5	H443 L444 K577 Y578 R600	H443-E447 IonicContact ND1-OE1 3.59Å; L444-E447 WeakPolarHBondContact O-CG 3.44Å; E447-K577 HydrophobicContact CB-CB 4.24Å; E447-K577 HydrophobicContact CB-CG 4.26Å; E447-K577 WeakPolarHBondContact OE2-CD 3.29Å; E447-K577 WeakPolarHBondContact OE2-CE 3.29Å; E447-K577 IonicContact OE2-NZ 3.87Å; E447-K577 PolarHBondContact OE2-NZ 3.49Å; E447-Y578 WeakPolarHBondContact O-CD2 3.48Å; E447-Y578 PolarHBondContact O-N 3.29Å; E447-R600 IonicContact OE1-NH1 3.1Å
448	D	86.8	Confident	91.5	Very high	108 Å²	108	39.8 Å²	39.8	58%	0.578	21%	0.206	S	C	*	.	S	Bend	trans	-93.4	-14.5	-169.7	-65.3	-25.3	0	0	0	113.6
449	D	88.8	Confident	91.5	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	21%	0.211	S	C	.	.			trans	-111	117	-174.3	-175.1	12.4	0	0	0	112.4	V446 D451 F452 A453	V446-D449 HydrophobicContact CG1-CB 4.24Å; D449-D451 VanDerWaalsContact C-N 3.26Å; D449-D451 PolarHBondContact O-N 2.97Å; D449-D451 WeakPolarHBondContact OD1-CB 3.45Å; D449-D451 PolarHBondContact OD1-N 3.16Å; D449-F452 HydrophobicContact CB-CB 3.98Å; D449-F452 PolarHBondContact O-N 2.93Å; D449-F452 PolarHBondContact OD2-N 3.06Å; D449-A453 PolarHBondContact O-N 3.24Å; D449-A453 VanDerWaalsContact O-N 3.11Å
450	A	87.6	Confident	91.6	Very high	26 Å²	26	41 Å²	41	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-29.7	176.4	0	0	0	0	0	112.3	A453 R454 Y578	A450-A453 PolarHBondContact O-N 2.96Å; A450-R454 WeakPolarHBondContact O-CG 3.44Å; A450-R454 PolarHBondContact O-N 3.08Å; A450-Y578 HydrophobicContact CB-CE2 3.92Å
451	D	89.2	Confident	91.5	Very high	55 Å²	55	43 Å²	43	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-71.3	-39.4	178.8	-91.1	6.9	0	0	0	111.5	D449 R454 L455 R496	D449-D451 VanDerWaalsContact C-N 3.26Å; D449-D451 PolarHBondContact O-N 2.97Å; D449-D451 WeakPolarHBondContact OD1-CB 3.45Å; D449-D451 PolarHBondContact OD1-N 3.16Å; D451-R454 PolarHBondContact O-N 2.67Å; D451-R454 IonicContact OD1-NH1 2.8Å; D451-R454 PolarHBondContact OD1-NH1 3.18Å; D451-L455 PolarHBondContact O-N 3.47Å; D451-L455 VanDerWaalsContact O-N 3.14Å; D451-R496 IonicContact OD2-CZ 2.68Å; D451-R496 IonicContact OD2-NH1 2.77Å; D451-R496 PolarHBondContact OD2-NH1 3.14Å; D451-R496 IonicContact OD2-NH2 3.79Å; D451-R496 PolarHBondContact OD2-NH2 3.11Å
452	F	91.6	Very high	91.5	Very high	41 Å²	41	44.9 Å²	44.9	18%	0.18	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-43	170.7	-172	-99.6	0	0	0	111.6	V446 D449 R454 L455 V456	V446-F452 HydrophobicContact CB-CD1 3.69Å; V446-F452 HydrophobicContact CB-CE1 3.91Å; V446-F452 HydrophobicContact CB-CG 4.06Å; V446-F452 HydrophobicContact CB-CZ 4.46Å; V446-F452 HydrophobicContact CG2-CD1 4.38Å; V446-F452 HydrophobicContact CG2-CE1 4.22Å; V446-F452 HydrophobicContact CG2-CZ 4.31Å; D449-F452 HydrophobicContact CB-CB 3.98Å; D449-F452 PolarHBondContact O-N 2.93Å; D449-F452 PolarHBondContact OD2-N 3.06Å; F452-R454 VanDerWaalsContact C-N 3.3Å; F452-R454 PolarHBondContact O-N 3.23Å; F452-L455 WeakPolarHBondContact O-CB 3.33Å; F452-L455 PolarHBondContact O-N 3.27Å; F452-V456 HydrophobicContact CD1-CG2 4.1Å; F452-V456 HydrophobicContact CE1-CG2 3.7Å; F452-V456 HydrophobicContact CE2-CG2 4.48Å; F452-V456 HydrophobicContact CZ-CG2 3.92Å; F452-V456 PolarHBondContact O-N 3.21Å
453	A	91.3	Very high	91.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-39.2	176.4	0	0	0	0	0	112.6	L444 D449 A450 K457 I567	L444-A453 HydrophobicContact CD1-CB 3.49Å; L444-A453 VanDerWaalsContact CD1-CB 3.49Å; D449-A453 PolarHBondContact O-N 3.24Å; D449-A453 VanDerWaalsContact O-N 3.11Å; A450-A453 PolarHBondContact O-N 2.96Å; A453-K457 WeakPolarHBondContact O-CB 3.47Å; A453-K457 PolarHBondContact O-N 2.62Å; A453-I567 HydrophobicContact CB-CD1 3.87Å; A453-I567 HydrophobicContact CB-CG1 4.33Å; A453-I567 HydrophobicContact CB-CG2 4.42Å
454	R	90.8	Very high	91.5	Very high	140 Å²	140	46 Å²	46	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-40.8	175	-72.8	174.4	-173.5	138.2	-2.7	112.7	A450 D451 F452 K457 G458 I567	A450-R454 WeakPolarHBondContact O-CG 3.44Å; A450-R454 PolarHBondContact O-N 3.08Å; D451-R454 PolarHBondContact O-N 2.67Å; D451-R454 IonicContact OD1-NH1 2.8Å; D451-R454 PolarHBondContact OD1-NH1 3.18Å; F452-R454 VanDerWaalsContact C-N 3.3Å; F452-R454 PolarHBondContact O-N 3.23Å; R454-K457 WeakPolarHBondContact O-CB 3.01Å; R454-K457 PolarHBondContact O-N 2.89Å; R454-G458 PolarHBondContact O-N 2.8Å; R454-I567 HydrophobicContact CG-CD1 4.16Å
455	L	92.6	Very high	91.5	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-50.8	176.8	177.2	66.5	0	0	0	111.1	D451 F452 K457 G458 R459 R496	D451-L455 PolarHBondContact O-N 3.47Å; D451-L455 VanDerWaalsContact O-N 3.14Å; F452-L455 WeakPolarHBondContact O-CB 3.33Å; F452-L455 PolarHBondContact O-N 3.27Å; L455-K457 VanDerWaalsContact C-N 3.33Å; L455-K457 PolarHBondContact O-N 3.37Å; L455-G458 PolarHBondContact O-N 2.83Å; L455-R459 PolarHBondContact O-N 3.37Å; L455-R496 HydrophobicContact CD1-CB 4.31Å
456	V	93.6	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-38.7	179.8	178.5	0	0	0	0	111	L444 F452 G458 R459 I460 V596	L444-V456 HydrophobicContact CD2-CB 4.05Å; L444-V456 HydrophobicContact CD2-CG1 3.76Å; L444-V456 HydrophobicContact CD2-CG2 4.44Å; F452-V456 HydrophobicContact CD1-CG2 4.1Å; F452-V456 HydrophobicContact CE1-CG2 3.7Å; F452-V456 HydrophobicContact CE2-CG2 4.48Å; F452-V456 HydrophobicContact CZ-CG2 3.92Å; F452-V456 PolarHBondContact O-N 3.21Å; V456-G458 PolarHBondContact O-N 3.49Å; V456-R459 PolarHBondContact O-N 3.08Å; V456-R459 VanDerWaalsContact O-N 3.16Å; V456-I460 HydrophobicContact CG1-CD1 3.77Å; V456-I460 WeakPolarHBondContact O-CG1 3.46Å; V456-I460 PolarHBondContact O-N 3.13Å; V456-V596 HydrophobicContact CG1-CG2 3.54Å
457	K	93.4	Very high	91.6	Very high	55 Å²	55	44.9 Å²	44.9	24%	0.239	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-48.8	171.8	177.5	-175.9	-170.2	-85.5	0	111.7	A453 R454 L455 R459 I460 E461 A565 I567 L580	A453-K457 WeakPolarHBondContact O-CB 3.47Å; A453-K457 PolarHBondContact O-N 2.62Å; R454-K457 WeakPolarHBondContact O-CB 3.01Å; R454-K457 PolarHBondContact O-N 2.89Å; L455-K457 VanDerWaalsContact C-N 3.33Å; L455-K457 PolarHBondContact O-N 3.37Å; K457-R459 PolarHBondContact O-N 3.36Å; K457-I460 PolarHBondContact O-N 3.01Å; K457-I460 VanDerWaalsContact O-N 3.08Å; K457-E461 WeakPolarHBondContact CE-OE2 3.21Å; K457-E461 IonicContact NZ-OE1 2.72Å; K457-E461 IonicContact NZ-OE2 3.99Å; K457-E461 PolarHBondContact NZ-OE2 2.97Å; K457-E461 WeakPolarHBondContact O-CB 3.49Å; K457-E461 PolarHBondContact O-N 3.43Å; K457-A565 WeakPolarHBondContact CE-O 3.47Å; K457-A565 HydrophobicContact CG-CB 4.22Å; K457-I567 HydrophobicContact CD-CD1 4.15Å; K457-I567 HydrophobicContact CD-CG1 4.2Å; K457-L580 HydrophobicContact CB-CD1 4.07Å; K457-L580 HydrophobicContact CG-CD1 4.21Å
458	G	91.6	Very high	91.9	Very high	10 Å²	10	43.6 Å²	43.6	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-19.9	179.5	0	0	0	0	0	114.7	R454 L455 V456	R454-G458 PolarHBondContact O-N 2.8Å; L455-G458 PolarHBondContact O-N 2.83Å; V456-G458 PolarHBondContact O-N 3.49Å
459	R	92.9	Very high	92.2	Very high	51 Å²	51	38.8 Å²	38.8	19%	0.192	19%	0.194	C	C	.	.	H	α-helix	trans	-81.5	-21.6	172.7	-69.3	178.1	174.6	164.9	0.7	113.5	L455 V456 K457 E498 G558 T593 H594	L455-R459 PolarHBondContact O-N 3.37Å; V456-R459 PolarHBondContact O-N 3.08Å; V456-R459 VanDerWaalsContact O-N 3.16Å; K457-R459 PolarHBondContact O-N 3.36Å; R459-E498 IonicContact CZ-OE1 2.79Å; R459-E498 IonicContact CZ-OE2 3.8Å; R459-E498 IonicContact NE-OE1 3.68Å; R459-E498 IonicContact NE-OE2 2.75Å; R459-E498 PolarHBondContact NE-OE2 3.24Å; R459-E498 IonicContact NH2-OE1 3.92Å; R459-E498 PolarHBondContact NH2-OE1 3.27Å; R459-E498 IonicContact NH2-OE2 2.62Å; R459-E498 PolarHBondContact NH2-OE2 3.34Å; R459-G558 WeakPolarHBondContact O-CA 3.13Å; R459-T593 HydrophobicContact CB-CG2 3.79Å; R459-H594 PolarHBondContact NH1-ND1 2.96Å; R459-H594 PolarHBondContact NH1-O 3.37Å
460	I	94	Very high	92.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-102.5	-49.3	-173.6	-66.9	165.6	0	0	0	110.5	V456 K457 K462 I559 V562 L580 V582 V590 T593 V596	V456-I460 HydrophobicContact CG1-CD1 3.77Å; V456-I460 WeakPolarHBondContact O-CG1 3.46Å; V456-I460 PolarHBondContact O-N 3.13Å; K457-I460 PolarHBondContact O-N 3.01Å; K457-I460 VanDerWaalsContact O-N 3.08Å; I460-K462 PolarHBondContact O-N 2.97Å; I460-I559 HydrophobicContact CG2-CD1 4.23Å; I460-I559 PolarHBondContact O-N 3.18Å; I460-V562 HydrophobicContact CG2-CG1 4.27Å; I460-V562 HydrophobicContact CG2-CG2 4.14Å; I460-L580 HydrophobicContact CD1-CD2 3.47Å; I460-L580 VanDerWaalsContact CD1-CD2 3.47Å; I460-V582 HydrophobicContact CG2-CB 4.5Å; I460-V582 HydrophobicContact CG2-CG1 3.72Å; I460-V582 HydrophobicContact CG2-CG2 3.89Å; I460-V590 HydrophobicContact CD1-CG1 4.43Å; I460-V590 HydrophobicContact CG2-CG2 4.15Å; I460-T593 HydrophobicContact CD1-CG2 4.41Å; I460-T593 HydrophobicContact CG1-CG2 3.92Å; I460-V596 HydrophobicContact CD1-CG2 3.67Å
461	E	93.5	Very high	92.8	Very high	43 Å²	43	43.1 Å²	43.1	20%	0.201	20%	0.204	C	C	.	.	S	Bend	trans	-63.9	128.9	178.3	-173.4	168.6	-137.6	0	0	110	K457 T463 G558 A565	K457-E461 WeakPolarHBondContact CE-OE2 3.21Å; K457-E461 IonicContact NZ-OE1 2.72Å; K457-E461 IonicContact NZ-OE2 3.99Å; K457-E461 PolarHBondContact NZ-OE2 2.97Å; K457-E461 WeakPolarHBondContact O-CB 3.49Å; K457-E461 PolarHBondContact O-N 3.43Å; E461-T463 PolarHBondContact O-N 3.42Å; E461-G558 WeakPolarHBondContact O-CA 3.44Å; E461-A565 HydrophobicContact CB-CB 4.3Å; E461-A565 PolarHBondContact OE1-N 3.28Å
462	K	93.3	Very high	93	Very high	74 Å²	74	42.4 Å²	42.4	32%	0.322	20%	0.2	S	C	.	.			trans	-66	134.6	177.3	72.6	-176.8	172.1	-166.3	0	109.7	I460 V555 V562	I460-K462 PolarHBondContact O-N 2.97Å; K462-V555 HydrophobicContact CB-CG1 4.32Å; K462-V562 WeakPolarHBondContact CD-O 3.25Å; K462-V562 WeakPolarHBondContact CE-O 3.45Å; K462-V562 VanDerWaalsContact CG-O 3.3Å; K462-V562 WeakPolarHBondContact CG-O 3.34Å
463	T	93.1	Very high	93.1	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.7	171.8	53.3	0	0	0	0	108.6	E461 E467 L497 V556 Q557	E461-T463 PolarHBondContact O-N 3.42Å; T463-E467 WeakPolarHBondContact CA-OE2 3.36Å; T463-L497 HydrophobicContact CG2-CD1 4.08Å; T463-L497 HydrophobicContact CG2-CD2 4.17Å; T463-V556 VanDerWaalsContact O-CG2 3.29Å; T463-V556 WeakPolarHBondContact O-CG2 3.44Å; T463-V556 PolarHBondContact O-N 3.18Å; T463-Q557 PolarHBondContact N-O 2.81Å; T463-Q557 WeakPolarHBondContact OG1-CB 3.24Å; T463-Q557 PolarHBondContact OG1-O 2.79Å
464	L	94.2	Very high	93.1	Very high	46 Å²	46	46.6 Å²	46.6	24%	0.241	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.4	-179.5	-57.9	-179.3	0	0	0	110.5	G466 E467 V554 V555	L464-G466 PolarHBondContact O-N 2.89Å; L464-E467 HydrophobicContact CB-CG 4.08Å; L464-E467 PolarHBondContact N-OE2 2.81Å; L464-E467 WeakPolarHBondContact O-CB 3.03Å; L464-E467 PolarHBondContact O-N 2.61Å; L464-V554 WeakPolarHBondContact CA-O 3.41Å; L464-V555 HydrophobicContact CD2-CG2 4.01Å
465	L	93.3	Very high	93.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-37.9	178.3	-177.9	55.8	0	0	0	111.7	E467 I468 S469 V485 L487 V504 I508 L551 P552 V554 V556	L465-E467 VanDerWaalsContact C-N 3.29Å; L465-E467 PolarHBondContact O-N 3.44Å; L465-I468 HydrophobicContact CD1-CD1 4.34Å; L465-I468 HydrophobicContact CD1-CG1 4.35Å; L465-I468 WeakPolarHBondContact O-CG1 3.33Å; L465-I468 PolarHBondContact O-N 2.83Å; L465-S469 WeakPolarHBondContact O-CB 3.17Å; L465-S469 PolarHBondContact O-N 3.42Å; L465-S469 VanDerWaalsContact O-N 3.14Å; L465-S469 PolarHBondContact O-OG 3.49Å; L465-V485 HydrophobicContact CD1-CG1 4.1Å; L465-V485 HydrophobicContact CD2-CG1 4.33Å; L465-V485 HydrophobicContact CG-CG1 4.27Å; L465-L487 HydrophobicContact CD1-CD2 3.68Å; L465-V504 HydrophobicContact CD1-CG1 3.66Å; L465-V504 HydrophobicContact CD1-CG2 4.24Å; L465-V504 HydrophobicContact CD2-CG1 4.28Å; L465-I508 HydrophobicContact CD2-CD1 4.06Å; L465-I508 HydrophobicContact CD2-CG1 4.28Å; L465-L551 HydrophobicContact CD2-CD1 4.23Å; L465-L551 HydrophobicContact CD2-CG 3.96Å; L465-P552 PolarHBondContact N-O 2.81Å; L465-V554 HydrophobicContact CB-CB 4.49Å; L465-V554 PolarHBondContact N-O 2.95Å; L465-V556 HydrophobicContact CB-CG1 3.71Å; L465-V556 HydrophobicContact CD1-CG1 3.78Å; L465-V556 HydrophobicContact CG-CG1 4.27Å
466	G	93.3	Very high	93.1	Very high	30 Å²	30	45.7 Å²	45.7	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-31.1	177.2	0	0	0	0	0	114	L464 S469 P552	L464-G466 PolarHBondContact O-N 2.89Å; G466-S469 PolarHBondContact O-N 3.01Å; G466-P552 PolarHBondContact N-O 3.04Å
467	E	92.5	Very high	92.9	Very high	107 Å²	107	49.8 Å²	49.8	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-73	-32.6	-177.4	-65.4	168.4	167.7	0	0	112.1	T463 L464 L465 R491	T463-E467 WeakPolarHBondContact CA-OE2 3.36Å; L464-E467 HydrophobicContact CB-CG 4.08Å; L464-E467 PolarHBondContact N-OE2 2.81Å; L464-E467 WeakPolarHBondContact O-CB 3.03Å; L464-E467 PolarHBondContact O-N 2.61Å; L465-E467 VanDerWaalsContact C-N 3.29Å; L465-E467 PolarHBondContact O-N 3.44Å; E467-R491 PolarHBondContact O-NH1 2.77Å
468	I	93.5	Very high	92.6	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-94.9	-4.3	178.8	64.1	160.3	0	0	0	113.4	L465 L487 S488 I492 L497 V499 V504 V556	L465-I468 HydrophobicContact CD1-CD1 4.34Å; L465-I468 HydrophobicContact CD1-CG1 4.35Å; L465-I468 WeakPolarHBondContact O-CG1 3.33Å; L465-I468 PolarHBondContact O-N 2.83Å; I468-L487 HydrophobicContact CD1-CD2 4.13Å; I468-L487 HydrophobicContact CG1-CD2 4.42Å; I468-S488 WeakPolarHBondContact O-CB 3.41Å; I468-S488 PolarHBondContact O-N 3.46Å; I468-I492 HydrophobicContact CB-CG1 4.18Å; I468-I492 HydrophobicContact CD1-CD1 4.18Å; I468-I492 HydrophobicContact CG2-CG1 4.38Å; I468-L497 HydrophobicContact CG2-CD1 3.86Å; I468-V499 HydrophobicContact CD1-CG1 4.16Å; I468-V504 HydrophobicContact CD1-CG2 4.4Å; I468-V556 HydrophobicContact CD1-CB 4.37Å; I468-V556 HydrophobicContact CD1-CG1 4.37Å; I468-V556 HydrophobicContact CD1-CG2 3.76Å; I468-V556 HydrophobicContact CG1-CG2 4.29Å
469	S	93.4	Very high	92.5	Very high	7 Å²	7	60.2 Å²	60.2	5%	0.049	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.3	179.1	-60	0	0	0	0	111.8	L465 G466 V485 K486 R491	L465-S469 WeakPolarHBondContact O-CB 3.17Å; L465-S469 PolarHBondContact O-N 3.42Å; L465-S469 VanDerWaalsContact O-N 3.14Å; L465-S469 PolarHBondContact O-OG 3.49Å; G466-S469 PolarHBondContact O-N 3.01Å; S469-V485 WeakPolarHBondContact OG-CG1 3.4Å; S469-K486 CarbonylContact C-O 3.47Å; S469-K486 WeakPolarHBondContact CA-O 3.29Å; S469-R491 PolarHBondContact O-NH1 2.97Å; S469-R491 PolarHBondContact O-NH2 3.11Å
470	E	93.3	Very high	92.1	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-46.9	171.9	-61.9	-177.4	171.6	0	0	110.6	K486 S488	E470-K486 PolarHBondContact N-O 3.08Å; E470-S488 VanDerWaalsContact CG-CB 3.47Å; E470-S488 WeakPolarHBondContact OE1-CA 3.42Å; E470-S488 PolarHBondContact OE1-OG 2.88Å
471	Y	93.8	Very high	91.7	Very high	97 Å²	97	62.1 Å²	62.1	38%	0.38	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.2	174.2	60.7	-94.7	0	0	0	109.8	E473 L484 K486	Y471-E473 HydrophobicContact CD2-CB 4.12Å; Y471-E473 HydrophobicContact CD2-CG 3.94Å; Y471-E473 HydrophobicContact CE2-CB 4.46Å; Y471-E473 VanDerWaalsContact CE2-CD 3.42Å; Y471-E473 HydrophobicContact CE2-CG 3.79Å; Y471-E473 WeakPolarHBondContact CE2-OE1 2.95Å; Y471-L484 HydrophobicContact CE2-CD2 3.77Å; Y471-K486 HydrophobicContact CD1-CB 4.34Å; Y471-K486 HydrophobicContact CE1-CB 3.87Å; Y471-K486 HydrophobicContact CE1-CD 3.68Å; Y471-K486 HydrophobicContact CE1-CG 4.25Å; Y471-K486 HydrophobicContact CE2-CB 4.06Å; Y471-K486 PolarHBondContact O-N 3.2Å; Y471-K486 WeakPolarHBondContact OH-CD 3.39Å
472	I	94.3	Very high	91.6	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.205	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.3	172	-62.7	173	0	0	0	105.3	I483 L484 V485 P552	I472-I483 HydrophobicContact CG2-CG2 3.56Å; I472-L484 WeakPolarHBondContact CA-O 3.33Å; I472-V485 HydrophobicContact CG1-CB 4.48Å; I472-V485 HydrophobicContact CG1-CG1 4.11Å; I472-V485 HydrophobicContact CG1-CG2 4.14Å; I472-V485 HydrophobicContact CG2-CG2 4.19Å; I472-P552 HydrophobicContact CD1-CB 4.03Å; I472-P552 HydrophobicContact CD1-CG 3.73Å
473	E	93.2	Very high	91.5	Very high	87 Å²	87	58.1 Å²	58.1	41%	0.407	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.3	-174	70.4	-176.9	171.7	0	0	112.4	Y471 V475 I483 L484	Y471-E473 HydrophobicContact CD2-CB 4.12Å; Y471-E473 HydrophobicContact CD2-CG 3.94Å; Y471-E473 HydrophobicContact CE2-CB 4.46Å; Y471-E473 VanDerWaalsContact CE2-CD 3.42Å; Y471-E473 HydrophobicContact CE2-CG 3.79Å; Y471-E473 WeakPolarHBondContact CE2-OE1 2.95Å; E473-V475 HydrophobicContact CG-CG2 4.17Å; E473-I483 CarbonylContact O-C 3.53Å; E473-I483 WeakPolarHBondContact O-CA 2.91Å; E473-L484 HydrophobicContact CG-CB 4.13Å; E473-L484 HydrophobicContact CG-CD2 4.41Å; E473-L484 PolarHBondContact N-O 3.37Å; E473-L484 PolarHBondContact O-N 3.48Å
474	E	92.5	Very high	91.6	Very high	42 Å²	42	58.8 Å²	58.8	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.2	173.3	-64.7	170.6	-135	0	0	108.5	F476 L544 Q545 K548	E474-F476 HydrophobicContact CB-CD2 4.37Å; E474-F476 HydrophobicContact CB-CE2 3.68Å; E474-F476 HydrophobicContact CB-CZ 4.22Å; E474-F476 WeakPolarHBondContact OE2-CE2 3.24Å; E474-F476 VanDerWaalsContact OE2-CZ 3.26Å; E474-F476 WeakPolarHBondContact OE2-CZ 3.27Å; E474-L544 HydrophobicContact CB-CD2 4.31Å; E474-L544 HydrophobicContact CG-CD2 3.95Å; E474-L544 HydrophobicContact CG-CG 4.39Å; E474-L544 VanDerWaalsContact OE2-CD2 3.25Å; E474-L544 WeakPolarHBondContact OE2-CD2 2.99Å; E474-Q545 PolarHBondContact OE1-NE2 3Å; E474-Q545 PolarHBondContact OE2-NE2 3.43Å; E474-Q545 VanDerWaalsContact OE2-NE2 3.13Å; E474-K548 HydrophobicContact CG-CD 4.21Å; E474-K548 WeakPolarHBondContact OE1-CD 3.48Å; E474-K548 WeakPolarHBondContact OE1-CE 3.47Å; E474-K548 IonicContact OE1-NZ 3.69Å; E474-K548 PolarHBondContact OE1-NZ 3.28Å
475	V	91.8	Very high	91.6	Very high	33 Å²	33	56.6 Å²	56.6	20%	0.2	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.6	176.2	-174.1	0	0	0	0	108.3	E473 L477 C481 F482 L484	E473-V475 HydrophobicContact CG-CG2 4.17Å; V475-L477 HydrophobicContact CG1-CD2 4.12Å; V475-L477 HydrophobicContact CG1-CG 4.08Å; V475-C481 WeakPolarHBondContact O-CA 3.4Å; V475-F482 HydrophobicContact CB-CD2 4.18Å; V475-F482 HydrophobicContact CB-CE1 4.46Å; V475-F482 HydrophobicContact CB-CE2 3.73Å; V475-F482 HydrophobicContact CB-CZ 3.88Å; V475-F482 HydrophobicContact CG1-CE1 4.39Å; V475-F482 HydrophobicContact CG1-CE2 4.18Å; V475-F482 HydrophobicContact CG1-CZ 3.85Å; V475-F482 HydrophobicContact CG2-CD2 4.46Å; V475-F482 HydrophobicContact CG2-CE2 3.89Å; V475-F482 HydrophobicContact CG2-CZ 4.39Å; V475-F482 PolarHBondContact N-O 3.17Å; V475-F482 PolarHBondContact O-N 2.71Å; V475-F482 VanDerWaalsContact O-N 3.09Å; V475-L484 HydrophobicContact CG2-CB 4.08Å
476	F	89.9	Confident	91.6	Very high	125 Å²	125	59.6 Å²	59.6	55%	0.548	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.8	174.1	-61.7	-84.4	0	0	0	109	E474 C481 L544	E474-F476 HydrophobicContact CB-CD2 4.37Å; E474-F476 HydrophobicContact CB-CE2 3.68Å; E474-F476 HydrophobicContact CB-CZ 4.22Å; E474-F476 WeakPolarHBondContact OE2-CE2 3.24Å; E474-F476 VanDerWaalsContact OE2-CZ 3.26Å; E474-F476 WeakPolarHBondContact OE2-CZ 3.27Å; F476-C481 HydrophobicContact CD1-CB 3.77Å; F476-C481 HydrophobicContact CE1-CB 4.2Å; F476-L544 HydrophobicContact CE1-CD2 3.6Å; F476-L544 HydrophobicContact CE2-CD2 4.3Å; F476-L544 HydrophobicContact CZ-CD2 3.3Å
477	L	91.2	Very high	91.7	Very high	87 Å²	87	58.2 Å²	58.2	46%	0.455	29%	0.293	S	S	.	.			trans	-96.5	161.7	169.6	-58.3	177.5	0	0	0	109.3	V475 D479 D480 F482	V475-L477 HydrophobicContact CG1-CD2 4.12Å; V475-L477 HydrophobicContact CG1-CG 4.08Å; L477-D479 VanDerWaalsContact CB-OD1 3.27Å; L477-D479 WeakPolarHBondContact CB-OD1 2.96Å; L477-D479 PolarHBondContact O-N 3.4Å; L477-D480 CarbonylContact C-O 3.34Å; L477-D480 WeakPolarHBondContact CA-O 3.2Å; L477-D480 WeakPolarHBondContact CB-O 3.39Å; L477-D480 PolarHBondContact N-O 2.85Å; L477-D480 VanDerWaalsContact O-O 3.09Å; L477-F482 HydrophobicContact CD1-CE1 4.03Å; L477-F482 HydrophobicContact CD1-CZ 4.45Å
478	P	87.3	Confident	91.7	Very high	142 Å²	142	53.5 Å²	53.5	92%	0.922	27%	0.272	S	S	*	.	S	Bend	trans	-59.8	-24.5	176.8	-24	35.3	0	0	0	113.9
479	D	88	Confident	91.6	Very high	141 Å²	141	56.5 Å²	56.5	75%	0.754	29%	0.288	S	S	*	.	S	Bend	trans	-110.9	-19.5	-173.7	56.9	-32.8	0	0	0	114.4	L477	L477-D479 VanDerWaalsContact CB-OD1 3.27Å; L477-D479 WeakPolarHBondContact CB-OD1 2.96Å; L477-D479 PolarHBondContact O-N 3.4Å
480	D	84.3	Confident	91.4	Very high	79 Å²	79	63 Å²	63	42%	0.422	32%	0.317	S	S	.	.			trans	-151.9	156.3	-178	-159.9	5.1	0	0	0	112.7	L477	L477-D480 CarbonylContact C-O 3.34Å; L477-D480 WeakPolarHBondContact CA-O 3.2Å; L477-D480 WeakPolarHBondContact CB-O 3.39Å; L477-D480 PolarHBondContact N-O 2.85Å; L477-D480 VanDerWaalsContact O-O 3.09Å
481	C	87.1	Confident	91.2	Very high	13 Å²	13	62.8 Å²	62.8	9%	0.088	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.9	169.8	71.4	0	0	0	0	110.3	V475 F476 P532 M540	V475-C481 WeakPolarHBondContact O-CA 3.4Å; F476-C481 HydrophobicContact CD1-CB 3.77Å; F476-C481 HydrophobicContact CE1-CB 4.2Å; C481-P532 WeakPolarHBondContact O-CD 2.97Å; C481-M540 VanDerWaalsContact SG-CE 3.56Å
482	F	90.7	Very high	91.1	Very high	32 Å²	32	58.7 Å²	58.7	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.3	-179.4	54.7	-94	0	0	0	111.3	V475 L477 L484 C529	V475-F482 HydrophobicContact CB-CD2 4.18Å; V475-F482 HydrophobicContact CB-CE1 4.46Å; V475-F482 HydrophobicContact CB-CE2 3.73Å; V475-F482 HydrophobicContact CB-CZ 3.88Å; V475-F482 HydrophobicContact CG1-CE1 4.39Å; V475-F482 HydrophobicContact CG1-CE2 4.18Å; V475-F482 HydrophobicContact CG1-CZ 3.85Å; V475-F482 HydrophobicContact CG2-CD2 4.46Å; V475-F482 HydrophobicContact CG2-CE2 3.89Å; V475-F482 HydrophobicContact CG2-CZ 4.39Å; V475-F482 PolarHBondContact N-O 3.17Å; V475-F482 PolarHBondContact O-N 2.71Å; V475-F482 VanDerWaalsContact O-N 3.09Å; L477-F482 HydrophobicContact CD1-CE1 4.03Å; L477-F482 HydrophobicContact CD1-CZ 4.45Å; F482-L484 HydrophobicContact CD2-CB 4.38Å; F482-L484 HydrophobicContact CE2-CB 4.27Å; F482-L484 HydrophobicContact CE2-CD1 4.26Å; F482-C529 HydrophobicContact CD2-CB 4.06Å
483	I	91.7	Very high	90.8	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	172.5	-59.2	177.7	0	0	0	108	I472 E473 C529 V530 L544 L547 K548 L551	I472-I483 HydrophobicContact CG2-CG2 3.56Å; E473-I483 CarbonylContact O-C 3.53Å; E473-I483 WeakPolarHBondContact O-CA 2.91Å; I483-C529 CarbonylContact O-C 3.58Å; I483-C529 WeakPolarHBondContact O-CA 3.33Å; I483-V530 PolarHBondContact N-O 3.36Å; I483-V530 PolarHBondContact O-N 3.21Å; I483-L544 HydrophobicContact CD1-CD1 4.13Å; I483-L544 HydrophobicContact CD1-CG 4.29Å; I483-L544 HydrophobicContact CG1-CD1 3.73Å; I483-L544 HydrophobicContact CG1-CG 4.19Å; I483-L547 HydrophobicContact CD1-CB 3.52Å; I483-K548 HydrophobicContact CD1-CB 4.43Å; I483-L551 HydrophobicContact CG2-CD2 3.86Å
484	L	93.4	Very high	90.5	Very high	27 Å²	27	69.3 Å²	69.3	14%	0.141	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.2	176.7	-172.6	149.5	0	0	0	109.5	Y471 I472 E473 V475 F482 K486 V527	Y471-L484 HydrophobicContact CE2-CD2 3.77Å; I472-L484 WeakPolarHBondContact CA-O 3.33Å; E473-L484 HydrophobicContact CG-CB 4.13Å; E473-L484 HydrophobicContact CG-CD2 4.41Å; E473-L484 PolarHBondContact N-O 3.37Å; E473-L484 PolarHBondContact O-N 3.48Å; V475-L484 HydrophobicContact CG2-CB 4.08Å; F482-L484 HydrophobicContact CD2-CB 4.38Å; F482-L484 HydrophobicContact CE2-CB 4.27Å; F482-L484 HydrophobicContact CE2-CD1 4.26Å; L484-K486 HydrophobicContact CD2-CB 4.31Å; L484-V527 HydrophobicContact CD1-CG1 3.86Å; L484-V527 HydrophobicContact CD2-CG1 3.9Å; L484-V527 HydrophobicContact CG-CG1 3.68Å
485	V	94.4	Very high	90.3	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.8	175.1	-179	0	0	0	0	108.3	L465 S469 I472 L487 V527 V528 L551	L465-V485 HydrophobicContact CD1-CG1 4.1Å; L465-V485 HydrophobicContact CD2-CG1 4.33Å; L465-V485 HydrophobicContact CG-CG1 4.27Å; S469-V485 WeakPolarHBondContact OG-CG1 3.4Å; I472-V485 HydrophobicContact CG1-CB 4.48Å; I472-V485 HydrophobicContact CG1-CG1 4.11Å; I472-V485 HydrophobicContact CG1-CG2 4.14Å; I472-V485 HydrophobicContact CG2-CG2 4.19Å; V485-L487 HydrophobicContact CG1-CD2 4.1Å; V485-V527 WeakPolarHBondContact O-CA 3.39Å; V485-V528 HydrophobicContact CB-CB 4.47Å; V485-V528 PolarHBondContact N-O 3.35Å; V485-V528 PolarHBondContact O-N 3.46Å; V485-L551 HydrophobicContact CG2-CD2 3.49Å; V485-L551 VanDerWaalsContact CG2-CD2 3.49Å; V485-L551 HydrophobicContact CG2-CG 4.37Å
486	K	94.6	Very high	90.1	Very high	63 Å²	63	76.4 Å²	76.4	27%	0.274	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	173.2	-176.5	162	172.3	87.8	0	110.8	S469 E470 Y471 L484 A526	S469-K486 CarbonylContact C-O 3.47Å; S469-K486 WeakPolarHBondContact CA-O 3.29Å; E470-K486 PolarHBondContact N-O 3.08Å; Y471-K486 HydrophobicContact CD1-CB 4.34Å; Y471-K486 HydrophobicContact CE1-CB 3.87Å; Y471-K486 HydrophobicContact CE1-CD 3.68Å; Y471-K486 HydrophobicContact CE1-CG 4.25Å; Y471-K486 HydrophobicContact CE2-CB 4.06Å; Y471-K486 PolarHBondContact O-N 3.2Å; Y471-K486 WeakPolarHBondContact OH-CD 3.39Å; L484-K486 HydrophobicContact CD2-CB 4.31Å; K486-A526 WeakPolarHBondContact CA-O 3.33Å
487	L	93.9	Very high	90.1	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.1	178.7	-55.4	177.7	0	0	0	110.9	L465 I468 V485 L489 I492 A501 V504 A526	L465-L487 HydrophobicContact CD1-CD2 3.68Å; I468-L487 HydrophobicContact CD1-CD2 4.13Å; I468-L487 HydrophobicContact CG1-CD2 4.42Å; V485-L487 HydrophobicContact CG1-CD2 4.1Å; L487-L489 PolarHBondContact O-N 2.95Å; L487-I492 HydrophobicContact CB-CD1 4.36Å; L487-A501 HydrophobicContact CD1-CB 4.17Å; L487-V504 HydrophobicContact CD1-CB 4.44Å; L487-V504 HydrophobicContact CD1-CG2 3.87Å; L487-V504 HydrophobicContact CD2-CG2 4.21Å; L487-A526 PolarHBondContact N-O 2.94Å
488	S	94.2	Very high	90	Very high	7 Å²	7	72.1 Å²	72.1	5%	0.049	35%	0.348	C	S	.	.			trans	-90.1	91.5	175.3	-160.7	0	0	0	0	110.2	I468 E470 E490 R491 I492	I468-S488 WeakPolarHBondContact O-CB 3.41Å; I468-S488 PolarHBondContact O-N 3.46Å; E470-S488 VanDerWaalsContact CG-CB 3.47Å; E470-S488 WeakPolarHBondContact OE1-CA 3.42Å; E470-S488 PolarHBondContact OE1-OG 2.88Å; S488-E490 PolarHBondContact O-N 3.23Å; S488-R491 PolarHBondContact O-N 3.06Å; S488-R491 VanDerWaalsContact O-N 3.15Å; S488-R491 PolarHBondContact OG-NE 3.38Å; S488-R491 VanDerWaalsContact OG-NE 3.09Å; S488-I492 WeakPolarHBondContact O-CG1 3.48Å; S488-I492 PolarHBondContact O-N 2.92Å; S488-I492 VanDerWaalsContact O-N 3.1Å
489	L	89.7	Confident	90.1	Very high	66 Å²	66	66 Å²	66	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-30	-179.4	-62.4	-177.3	0	0	0	112.4	L487 I492 R493 E525 A526	L487-L489 PolarHBondContact O-N 2.95Å; L489-I492 HydrophobicContact CD2-CD1 4.46Å; L489-R493 VanDerWaalsContact O-CB 3.29Å; L489-R493 WeakPolarHBondContact O-CB 3.39Å; L489-R493 PolarHBondContact O-N 3.43Å; L489-E525 HydrophobicContact CD1-CG 4.3Å; L489-A526 HydrophobicContact CD1-CB 4.02Å; L489-A526 HydrophobicContact CD2-CB 4.4Å; L489-A526 HydrophobicContact CG-CB 4.01Å
490	E	91.1	Very high	90.2	Very high	144 Å²	144	62.4 Å²	62.4	67%	0.673	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-47.4	175.5	-174.3	173.2	-171.4	0	0	111.9	S488 R493 L494	S488-E490 PolarHBondContact O-N 3.23Å; E490-R493 PolarHBondContact O-N 2.85Å; E490-L494 HydrophobicContact CG-CD1 4.16Å; E490-L494 WeakPolarHBondContact O-CG 3.39Å; E490-L494 PolarHBondContact O-N 3.49Å
491	R	89.2	Confident	90.4	Very high	91 Å²	91	58.8 Å²	58.8	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-42.8	176.7	-76	-175.5	-87.9	175.6	-10.2	112	E467 S469 S488 R493 L494 L495	E467-R491 PolarHBondContact O-NH1 2.77Å; S469-R491 PolarHBondContact O-NH1 2.97Å; S469-R491 PolarHBondContact O-NH2 3.11Å; S488-R491 PolarHBondContact O-N 3.06Å; S488-R491 VanDerWaalsContact O-N 3.15Å; S488-R491 PolarHBondContact OG-NE 3.38Å; S488-R491 VanDerWaalsContact OG-NE 3.09Å; R491-R493 VanDerWaalsContact C-N 3.29Å; R491-R493 PolarHBondContact O-N 2.91Å; R491-L494 PolarHBondContact O-N 3.41Å; R491-L495 WeakPolarHBondContact O-CB 3.4Å; R491-L495 WeakPolarHBondContact O-CG 3.26Å; R491-L495 PolarHBondContact O-N 3.27Å
492	I	89.9	Confident	90.5	Very high	11 Å²	11	63.8 Å²	63.8	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-43.8	176.3	-67.3	172.2	0	0	0	110.4	I468 L487 S488 L489 R496 L497 V499	I468-I492 HydrophobicContact CB-CG1 4.18Å; I468-I492 HydrophobicContact CD1-CD1 4.18Å; I468-I492 HydrophobicContact CG2-CG1 4.38Å; L487-I492 HydrophobicContact CB-CD1 4.36Å; S488-I492 WeakPolarHBondContact O-CG1 3.48Å; S488-I492 PolarHBondContact O-N 2.92Å; S488-I492 VanDerWaalsContact O-N 3.1Å; L489-I492 HydrophobicContact CD2-CD1 4.46Å; I492-R496 PolarHBondContact O-N 3.07Å; I492-L497 HydrophobicContact CG2-CB 4.22Å; I492-L497 WeakPolarHBondContact CG2-O 3.37Å; I492-L497 PolarHBondContact O-N 3.24Å; I492-L497 VanDerWaalsContact O-N 3.08Å; I492-V499 WeakPolarHBondContact CG2-O 3.47Å
493	R	88.4	Confident	90.5	Very high	216 Å²	216	64.4 Å²	64.4	82%	0.815	30%	0.299	S	S	*	.	H	α-helix	trans	-67.4	-40.6	178.7	-171.6	172.5	-176	154.2	1.3	112.9	L489 E490 R491 R496	L489-R493 VanDerWaalsContact O-CB 3.29Å; L489-R493 WeakPolarHBondContact O-CB 3.39Å; L489-R493 PolarHBondContact O-N 3.43Å; E490-R493 PolarHBondContact O-N 2.85Å; R491-R493 VanDerWaalsContact C-N 3.29Å; R491-R493 PolarHBondContact O-N 2.91Å; R493-R496 PolarHBondContact O-N 3.47Å
494	L	88.3	Confident	90.4	Very high	133 Å²	133	64.4 Å²	64.4	70%	0.696	30%	0.298	S	S	*	.	H	α-helix	trans	-66.7	-42.2	177.4	-75.8	168.3	0	0	0	112.3	E490 R491 R496	E490-L494 HydrophobicContact CG-CD1 4.16Å; E490-L494 WeakPolarHBondContact O-CG 3.39Å; E490-L494 PolarHBondContact O-N 3.49Å; R491-L494 PolarHBondContact O-N 3.41Å; L494-R496 PolarHBondContact O-N 3.34Å
495	L	86.9	Confident	90.3	Very high	102 Å²	102	67.9 Å²	67.9	53%	0.534	31%	0.31	S	S	.	.	H	α-helix	trans	-78.4	-6.9	177.4	-65.8	173.8	0	0	0	113.1	R491 L497	R491-L495 WeakPolarHBondContact O-CB 3.4Å; R491-L495 WeakPolarHBondContact O-CG 3.26Å; R491-L495 PolarHBondContact O-N 3.27Å; L495-L497 VanDerWaalsContact C-N 3.26Å; L495-L497 HydrophobicContact CB-CD1 4.13Å; L495-L497 HydrophobicContact CB-CD2 4.49Å; L495-L497 HydrophobicContact CB-CG 3.83Å; L495-L497 HydrophobicContact CD1-CD1 4.19Å; L495-L497 PolarHBondContact O-N 2.65Å
496	R	87.9	Confident	90.1	Very high	122 Å²	122	75 Å²	75	46%	0.46	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.3	-176.1	-61.5	-168.4	177.1	172.6	7.6	112.9	D451 L455 I492 R493 L494	D451-R496 IonicContact OD2-CZ 2.68Å; D451-R496 IonicContact OD2-NH1 2.77Å; D451-R496 PolarHBondContact OD2-NH1 3.14Å; D451-R496 IonicContact OD2-NH2 3.79Å; D451-R496 PolarHBondContact OD2-NH2 3.11Å; L455-R496 HydrophobicContact CD1-CB 4.31Å; I492-R496 PolarHBondContact O-N 3.07Å; R493-R496 PolarHBondContact O-N 3.47Å; L494-R496 PolarHBondContact O-N 3.34Å
497	L	89.8	Confident	89.9	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.089	33%	0.331	C	S	.	.			trans	-80.2	135	175.2	-59.1	174.9	0	0	0	109.6	T463 I468 I492 L495 V499	T463-L497 HydrophobicContact CG2-CD1 4.08Å; T463-L497 HydrophobicContact CG2-CD2 4.17Å; I468-L497 HydrophobicContact CG2-CD1 3.86Å; I492-L497 HydrophobicContact CG2-CB 4.22Å; I492-L497 WeakPolarHBondContact CG2-O 3.37Å; I492-L497 PolarHBondContact O-N 3.24Å; I492-L497 VanDerWaalsContact O-N 3.08Å; L495-L497 VanDerWaalsContact C-N 3.26Å; L495-L497 HydrophobicContact CB-CD1 4.13Å; L495-L497 HydrophobicContact CB-CD2 4.49Å; L495-L497 HydrophobicContact CB-CG 3.83Å; L495-L497 HydrophobicContact CD1-CD1 4.19Å; L495-L497 PolarHBondContact O-N 2.65Å; L497-V499 HydrophobicContact CB-CB 4.48Å; L497-V499 HydrophobicContact CB-CG2 4Å; L497-V499 PolarHBondContact O-N 3Å
498	E	89.1	Confident	89.6	Confident	106 Å²	106	72.8 Å²	72.8	50%	0.495	33%	0.33	S	S	.	.			trans	-84	52.9	178.3	-65.5	170.5	153.1	0	0	110.7	R459	R459-E498 IonicContact CZ-OE1 2.79Å; R459-E498 IonicContact CZ-OE2 3.8Å; R459-E498 IonicContact NE-OE1 3.68Å; R459-E498 IonicContact NE-OE2 2.75Å; R459-E498 PolarHBondContact NE-OE2 3.24Å; R459-E498 IonicContact NH2-OE1 3.92Å; R459-E498 PolarHBondContact NH2-OE1 3.27Å; R459-E498 IonicContact NH2-OE2 2.62Å; R459-E498 PolarHBondContact NH2-OE2 3.34Å
499	V	89.4	Confident	89.3	Confident	12 Å²	12	74.1 Å²	74.1	7%	0.073	34%	0.339	C	S	.	.			trans	-124.5	130.8	-171.1	-174.7	0	0	0	0	110.3	I468 I492 L497 T503 V504 Q557	I468-V499 HydrophobicContact CD1-CG1 4.16Å; I492-V499 WeakPolarHBondContact CG2-O 3.47Å; L497-V499 HydrophobicContact CB-CB 4.48Å; L497-V499 HydrophobicContact CB-CG2 4Å; L497-V499 PolarHBondContact O-N 3Å; V499-T503 WeakPolarHBondContact CA-OG1 3.13Å; V499-T503 WeakPolarHBondContact CG1-OG1 3.29Å; V499-V504 HydrophobicContact CG1-CG2 3.75Å; V499-Q557 HydrophobicContact CG2-CB 3.53Å; V499-Q557 HydrophobicContact CG2-CG 3.87Å
500	N	89.6	Confident	89	Confident	66 Å²	66	77.1 Å²	77.1	35%	0.353	35%	0.353	S	S	.	.			trans	-128.6	177	171.9	67.7	16.8	0	0	0	110.9	E502 T503 V504	N500-E502 PolarHBondContact O-N 3.35Å; N500-E502 WeakPolarHBondContact OD1-CA 3.33Å; N500-E502 WeakPolarHBondContact OD1-CB 3.39Å; N500-E502 PolarHBondContact OD1-N 3.32Å; N500-E502 VanDerWaalsContact OD1-N 3.07Å; N500-T503 PolarHBondContact N-OG1 2.94Å; N500-T503 PolarHBondContact O-N 2.94Å; N500-T503 PolarHBondContact O-OG1 3.15Å; N500-T503 WeakPolarHBondContact OD1-CG2 3.46Å; N500-T503 PolarHBondContact OD1-N 3.1Å; N500-T503 PolarHBondContact OD1-OG1 2.98Å; N500-V504 WeakPolarHBondContact O-CG2 3.36Å; N500-V504 PolarHBondContact O-N 3.2Å
501	A	88.9	Confident	88.6	Confident	3 Å²	3	71.6 Å²	71.6	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-29.5	179.3	0	0	0	0	0	113.5	L487 V504 R505 V522 E525 V528	L487-A501 HydrophobicContact CD1-CB 4.17Å; A501-V504 PolarHBondContact O-N 3.12Å; A501-R505 PolarHBondContact O-N 3.21Å; A501-V522 HydrophobicContact CB-CG1 3.53Å; A501-E525 WeakPolarHBondContact CB-O 3.39Å; A501-V528 HydrophobicContact CB-CG2 3.88Å
502	E	89.2	Confident	88	Confident	118 Å²	118	77.6 Å²	77.6	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-71.8	-40.8	175.8	-64.2	-166.5	148.7	0	0	112.8	N500 V504 R505 Y506	N500-E502 PolarHBondContact O-N 3.35Å; N500-E502 WeakPolarHBondContact OD1-CA 3.33Å; N500-E502 WeakPolarHBondContact OD1-CB 3.39Å; N500-E502 PolarHBondContact OD1-N 3.32Å; N500-E502 VanDerWaalsContact OD1-N 3.07Å; E502-V504 VanDerWaalsContact C-N 3.3Å; E502-R505 WeakPolarHBondContact O-CB 3.03Å; E502-R505 PolarHBondContact O-N 2.84Å; E502-Y506 PolarHBondContact O-N 3.49Å
503	T	90.6	Very high	87.4	Confident	46 Å²	46	77.9 Å²	77.9	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-66	-36.7	174	55.1	0	0	0	0	110.4	V499 N500 Y506 S507	V499-T503 WeakPolarHBondContact CA-OG1 3.13Å; V499-T503 WeakPolarHBondContact CG1-OG1 3.29Å; N500-T503 PolarHBondContact N-OG1 2.94Å; N500-T503 PolarHBondContact O-N 2.94Å; N500-T503 PolarHBondContact O-OG1 3.15Å; N500-T503 WeakPolarHBondContact OD1-CG2 3.46Å; N500-T503 PolarHBondContact OD1-N 3.1Å; N500-T503 PolarHBondContact OD1-OG1 2.98Å; T503-Y506 WeakPolarHBondContact O-CB 3.19Å; T503-Y506 PolarHBondContact O-N 3.43Å; T503-Y506 VanDerWaalsContact O-N 3.17Å; T503-S507 PolarHBondContact O-N 3.03Å; T503-S507 PolarHBondContact O-OG 3.21Å; T503-S507 VanDerWaalsContact O-OG 3.05Å
504	V	90.8	Very high	86.7	Confident	0 Å²	0	79 Å²	79	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-43.9	174	170.9	0	0	0	0	110.7	L465 I468 L487 V499 N500 A501 E502 Y506 S507 I508 V528 V556	L465-V504 HydrophobicContact CD1-CG1 3.66Å; L465-V504 HydrophobicContact CD1-CG2 4.24Å; L465-V504 HydrophobicContact CD2-CG1 4.28Å; I468-V504 HydrophobicContact CD1-CG2 4.4Å; L487-V504 HydrophobicContact CD1-CB 4.44Å; L487-V504 HydrophobicContact CD1-CG2 3.87Å; L487-V504 HydrophobicContact CD2-CG2 4.21Å; V499-V504 HydrophobicContact CG1-CG2 3.75Å; N500-V504 WeakPolarHBondContact O-CG2 3.36Å; N500-V504 PolarHBondContact O-N 3.2Å; A501-V504 PolarHBondContact O-N 3.12Å; E502-V504 VanDerWaalsContact C-N 3.3Å; V504-Y506 VanDerWaalsContact C-N 3.28Å; V504-Y506 PolarHBondContact O-N 3.38Å; V504-S507 PolarHBondContact O-N 3.23Å; V504-I508 HydrophobicContact CG1-CD1 3.66Å; V504-I508 HydrophobicContact CG1-CG1 4.25Å; V504-I508 VanDerWaalsContact O-CG1 3.26Å; V504-I508 WeakPolarHBondContact O-CG1 3.45Å; V504-I508 PolarHBondContact O-N 2.8Å; V504-V528 HydrophobicContact CB-CG2 4.47Å; V504-V528 HydrophobicContact CG1-CG2 4.19Å; V504-V556 HydrophobicContact CG2-CG1 4.14Å
505	R	90.4	Very high	86.4	Confident	101 Å²	101	73.5 Å²	73.5	38%	0.381	34%	0.337	S	S	.	.	H	α-helix	trans	-54.7	-46	172.3	178	-174.2	72.3	-177.5	-2	111.2	A501 E502 I508 C509 I520 V522	A501-R505 PolarHBondContact O-N 3.21Å; E502-R505 WeakPolarHBondContact O-CB 3.03Å; E502-R505 PolarHBondContact O-N 2.84Å; R505-I508 PolarHBondContact O-N 2.82Å; R505-C509 PolarHBondContact O-N 2.64Å; R505-C509 PolarHBondContact O-SG 3.14Å; R505-I520 HydrophobicContact CB-CG2 4.1Å; R505-I520 HydrophobicContact CG-CB 4.11Å; R505-I520 HydrophobicContact CG-CG2 3.71Å; R505-V522 HydrophobicContact CB-CG2 4.01Å
506	Y	89.8	Confident	86.3	Confident	149 Å²	149	73.9 Å²	73.9	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-61.3	-47.9	177.4	-179.8	-97.2	0	0	0	112	E502 T503 V504 I508 C509 M510	E502-Y506 PolarHBondContact O-N 3.49Å; T503-Y506 WeakPolarHBondContact O-CB 3.19Å; T503-Y506 PolarHBondContact O-N 3.43Å; T503-Y506 VanDerWaalsContact O-N 3.17Å; V504-Y506 VanDerWaalsContact C-N 3.28Å; V504-Y506 PolarHBondContact O-N 3.38Å; Y506-I508 VanDerWaalsContact C-N 3.33Å; Y506-I508 PolarHBondContact O-N 2.81Å; Y506-C509 PolarHBondContact O-N 2.95Å; Y506-M510 HydrophobicContact CD1-CG 4.2Å; Y506-M510 HydrophobicContact CD2-CG 4.38Å; Y506-M510 HydrophobicContact CE1-CG 3.79Å; Y506-M510 HydrophobicContact CE2-CG 3.98Å; Y506-M510 HydrophobicContact CE2-SD 4.43Å; Y506-M510 HydrophobicContact CG-CG 4.48Å; Y506-M510 WeakPolarHBondContact O-CB 3.25Å; Y506-M510 WeakPolarHBondContact O-CG 3.3Å; Y506-M510 PolarHBondContact O-N 2.94Å
507	S	90.1	Very high	86.1	Confident	19 Å²	19	72.5 Å²	72.5	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-37.7	179.8	-58.3	0	0	0	0	112.5	T503 V504 M510 S511 V556	T503-S507 PolarHBondContact O-N 3.03Å; T503-S507 PolarHBondContact O-OG 3.21Å; T503-S507 VanDerWaalsContact O-OG 3.05Å; V504-S507 PolarHBondContact O-N 3.23Å; S507-M510 PolarHBondContact O-N 2.92Å; S507-S511 WeakPolarHBondContact O-CB 3.14Å; S507-S511 PolarHBondContact O-N 2.89Å; S507-S511 VanDerWaalsContact O-N 3.09Å; S507-V556 PolarHBondContact OG-O 2.89Å
508	I	88.4	Confident	85.9	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-44.5	174.4	-64.3	164.7	0	0	0	110.7	L465 V504 R505 Y506 M510 S511 V515 I520 V528 V530 L551 V554	L465-I508 HydrophobicContact CD2-CD1 4.06Å; L465-I508 HydrophobicContact CD2-CG1 4.28Å; V504-I508 HydrophobicContact CG1-CD1 3.66Å; V504-I508 HydrophobicContact CG1-CG1 4.25Å; V504-I508 VanDerWaalsContact O-CG1 3.26Å; V504-I508 WeakPolarHBondContact O-CG1 3.45Å; V504-I508 PolarHBondContact O-N 2.8Å; R505-I508 PolarHBondContact O-N 2.82Å; Y506-I508 VanDerWaalsContact C-N 3.33Å; Y506-I508 PolarHBondContact O-N 2.81Å; I508-M510 VanDerWaalsContact C-N 3.31Å; I508-M510 PolarHBondContact O-N 3.19Å; I508-S511 WeakPolarHBondContact O-CB 3.36Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.95Å; I508-V515 HydrophobicContact CG2-CG2 3.81Å; I508-I520 HydrophobicContact CB-CD1 4.03Å; I508-I520 HydrophobicContact CG2-CD1 3.56Å; I508-I520 HydrophobicContact CG2-CG1 4.41Å; I508-V528 HydrophobicContact CD1-CG1 4.22Å; I508-V530 HydrophobicContact CD1-CG2 4.28Å; I508-L551 HydrophobicContact CD1-CD1 4Å; I508-L551 HydrophobicContact CG1-CD1 4.03Å; I508-L551 HydrophobicContact CG2-CD1 4.03Å; I508-V554 HydrophobicContact CG1-CG1 4.43Å
509	C	87.3	Confident	85.8	Confident	35 Å²	35	71.4 Å²	71.4	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-36.8	178	-68	0	0	0	0	113	R505 Y506 S511 I520	R505-C509 PolarHBondContact O-N 2.64Å; R505-C509 PolarHBondContact O-SG 3.14Å; Y506-C509 PolarHBondContact O-N 2.95Å; C509-S511 VanDerWaalsContact C-N 3.31Å; C509-I520 VanDerWaalsContact SG-CD1 3.51Å
510	M	84.2	Confident	85.8	Confident	128 Å²	128	71.2 Å²	71.2	63%	0.631	34%	0.344	S	S	*	.	H	α-helix	trans	-81.9	-11.9	-179.9	-70.5	-61.3	-65.2	0	0	113.2	Y506 S507 I508	Y506-M510 HydrophobicContact CD1-CG 4.2Å; Y506-M510 HydrophobicContact CD2-CG 4.38Å; Y506-M510 HydrophobicContact CE1-CG 3.79Å; Y506-M510 HydrophobicContact CE2-CG 3.98Å; Y506-M510 HydrophobicContact CE2-SD 4.43Å; Y506-M510 HydrophobicContact CG-CG 4.48Å; Y506-M510 WeakPolarHBondContact O-CB 3.25Å; Y506-M510 WeakPolarHBondContact O-CG 3.3Å; Y506-M510 PolarHBondContact O-N 2.94Å; S507-M510 PolarHBondContact O-N 2.92Å; I508-M510 VanDerWaalsContact C-N 3.31Å; I508-M510 PolarHBondContact O-N 3.19Å
511	S	82.6	Confident	85.8	Confident	29 Å²	29	69.9 Å²	69.9	20%	0.203	34%	0.342	C	S	.	.	S	Bend	trans	-68.5	169.8	179.2	79.3	0	0	0	0	111.7	S507 I508 C509 L513	S507-S511 WeakPolarHBondContact O-CB 3.14Å; S507-S511 PolarHBondContact O-N 2.89Å; S507-S511 VanDerWaalsContact O-N 3.09Å; I508-S511 WeakPolarHBondContact O-CB 3.36Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.95Å; C509-S511 VanDerWaalsContact C-N 3.31Å; S511-L513 PolarHBondContact O-N 3.46Å; S511-L513 VanDerWaalsContact O-N 3.08Å; S511-L513 VanDerWaalsContact OG-CB 3.25Å; S511-L513 WeakPolarHBondContact OG-CB 3.4Å; S511-L513 VanDerWaalsContact OG-CG 3.3Å; S511-L513 WeakPolarHBondContact OG-CG 3.04Å; S511-L513 PolarHBondContact OG-N 3.46Å
512	K	76.1	Confident	85.9	Confident	216 Å²	216	72 Å²	72	94%	0.939	35%	0.354	S	S	*	.	S	Bend	trans	-68.3	-3.2	174.9	-66.4	-179	-179.5	175.1	0	113.2
513	L	78	Confident	85.7	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.094	36%	0.355	C	S	.	.	S	Bend	trans	-71	126.5	174.4	-59.1	175.3	0	0	0	109.1	S511 V515 L547 E550 L551 V554	S511-L513 PolarHBondContact O-N 3.46Å; S511-L513 VanDerWaalsContact O-N 3.08Å; S511-L513 VanDerWaalsContact OG-CB 3.25Å; S511-L513 WeakPolarHBondContact OG-CB 3.4Å; S511-L513 VanDerWaalsContact OG-CG 3.3Å; S511-L513 WeakPolarHBondContact OG-CG 3.04Å; S511-L513 PolarHBondContact OG-N 3.46Å; L513-V515 HydrophobicContact CB-CG2 3.75Å; L513-V515 PolarHBondContact O-N 2.78Å; L513-L547 HydrophobicContact CD1-CD2 4.36Å; L513-L547 HydrophobicContact CD2-CD2 4.06Å; L513-E550 HydrophobicContact CD2-CB 3.72Å; L513-E550 HydrophobicContact CD2-CG 4.49Å; L513-E550 WeakPolarHBondContact CD2-OE2 3.44Å; L513-L551 HydrophobicContact CD1-CD1 3.99Å; L513-V554 HydrophobicContact CD1-CG2 3.61Å; L513-V554 HydrophobicContact CG-CG2 4.46Å
514	R	73.8	Confident	85.5	Confident	238 Å²	238	72.4 Å²	72.4	90%	0.898	37%	0.366	S	S	*	.			trans	-78.1	43	-179.6	-61.9	-177.8	179.6	-171	-0.4	112.6
515	V	82	Confident	85.2	Confident	18 Å²	18	79.4 Å²	79.4	11%	0.109	40%	0.399	C	S	.	.			trans	-91	138.7	177.5	-84.2	0	0	0	0	110.2	I508 L513 I520 V530 L547	I508-V515 HydrophobicContact CG2-CG2 3.81Å; L513-V515 HydrophobicContact CB-CG2 3.75Å; L513-V515 PolarHBondContact O-N 2.78Å; V515-I520 HydrophobicContact CB-CD1 4.49Å; V515-I520 HydrophobicContact CG2-CD1 4.27Å; V515-V530 HydrophobicContact CG1-CG1 4.09Å; V515-L547 HydrophobicContact CG1-CD2 4.32Å
516	K	84.1	Confident	85.1	Confident	111 Å²	111	75.3 Å²	75.3	48%	0.483	39%	0.386	S	S	.	.			trans	-88.2	154.8	177.2	-62.8	-176.5	-178.1	178.2	0	110.1	S518 D519	K516-S518 WeakPolarHBondContact CB-OG 3.43Å; K516-S518 PolarHBondContact O-N 3.01Å; K516-S518 VanDerWaalsContact O-N 3.09Å; K516-D519 WeakPolarHBondContact CB-OD2 3.14Å; K516-D519 PolarHBondContact N-OD2 2.75Å; K516-D519 WeakPolarHBondContact O-CB 3.49Å; K516-D519 PolarHBondContact O-N 3.02Å
517	P	85.1	Confident	85.2	Confident	92 Å²	92	69.5 Å²	69.5	60%	0.597	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-57.3	-26	174.1	-25.4	34.2	0	0	0	114.1	D519	P517-D519 PolarHBondContact O-N 2.84Å
518	S	85.5	Confident	85.3	Confident	86 Å²	86	68.6 Å²	68.6	60%	0.601	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.6	175.1	54.4	0	0	0	0	114.2	K516 R533	K516-S518 WeakPolarHBondContact CB-OG 3.43Å; K516-S518 PolarHBondContact O-N 3.01Å; K516-S518 VanDerWaalsContact O-N 3.09Å; S518-R533 PolarHBondContact OG-NH2 3.23Å
519	D	86.3	Confident	85.4	Confident	14 Å²	14	69 Å²	69	8%	0.075	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-95.2	-2.7	-172.6	-49.4	-22.1	0	0	0	111.3	K516 P517 S531 R533	K516-D519 WeakPolarHBondContact CB-OD2 3.14Å; K516-D519 PolarHBondContact N-OD2 2.75Å; K516-D519 WeakPolarHBondContact O-CB 3.49Å; K516-D519 PolarHBondContact O-N 3.02Å; P517-D519 PolarHBondContact O-N 2.84Å; D519-S531 PolarHBondContact O-N 3.3Å; D519-R533 IonicContact OD1-CZ 3.87Å; D519-R533 IonicContact OD1-NE 3.11Å; D519-R533 PolarHBondContact OD1-NE 3.41Å; D519-R533 IonicContact OD1-NH2 2.76Å; D519-R533 PolarHBondContact OD1-NH2 3.42Å; D519-R533 VanDerWaalsContact OD2-CD 3.26Å; D519-R533 WeakPolarHBondContact OD2-CD 3.38Å; D519-R533 IonicContact OD2-CZ 2.84Å; D519-R533 IonicContact OD2-NE 2.85Å; D519-R533 PolarHBondContact OD2-NE 2.95Å; D519-R533 IonicContact OD2-NH2 2.91Å
520	I	89.1	Confident	85.6	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.046	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.1	-176.9	-55.9	160.7	0	0	0	108.3	R505 I508 C509 V515 V528 C529 V530	R505-I520 HydrophobicContact CB-CG2 4.1Å; R505-I520 HydrophobicContact CG-CB 4.11Å; R505-I520 HydrophobicContact CG-CG2 3.71Å; I508-I520 HydrophobicContact CB-CD1 4.03Å; I508-I520 HydrophobicContact CG2-CD1 3.56Å; I508-I520 HydrophobicContact CG2-CG1 4.41Å; C509-I520 VanDerWaalsContact SG-CD1 3.51Å; V515-I520 HydrophobicContact CB-CD1 4.49Å; V515-I520 HydrophobicContact CG2-CD1 4.27Å; I520-V528 HydrophobicContact CG2-CG1 3.54Å; I520-C529 CarbonylContact C-O 3.57Å; I520-C529 VanDerWaalsContact CA-O 3.29Å; I520-C529 WeakPolarHBondContact CA-O 3.3Å; I520-V530 HydrophobicContact CG1-CG1 4.36Å; I520-V530 HydrophobicContact CG1-CG2 4.35Å; I520-V530 HydrophobicContact CG2-CG2 4.47Å
521	A	89.9	Confident	85.9	Confident	37 Å²	37	62.9 Å²	62.9	31%	0.306	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.6	176.8	0	0	0	0	0	110.3	H523 C529	A521-H523 VanDerWaalsContact CB-NE2 3.26Å; A521-H523 WeakPolarHBondContact CB-NE2 3.38Å; A521-C529 HydrophobicContact CB-CB 4.46Å; A521-C529 PolarHBondContact N-O 2.98Å; A521-C529 PolarHBondContact O-N 3.34Å
522	V	90.4	Very high	86.1	Confident	48 Å²	48	62.3 Å²	62.3	29%	0.291	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	106.9	175.7	177.5	0	0	0	0	107.6	A501 R505 G524	A501-V522 HydrophobicContact CB-CG1 3.53Å; R505-V522 HydrophobicContact CB-CG2 4.01Å; V522-G524 VanDerWaalsContact CG1-O 3.29Å; V522-G524 WeakPolarHBondContact CG1-O 3.34Å; V522-G524 PolarHBondContact O-N 3.44Å
523	H	85	Confident	86.2	Confident	122 Å²	122	57.6 Å²	57.6	57%	0.565	31%	0.305	S	S	*	.			trans	-101.3	77.6	-178.8	-69.2	-80	0	0	0	109.3	A521 V527 C529	A521-H523 VanDerWaalsContact CB-NE2 3.26Å; A521-H523 WeakPolarHBondContact CB-NE2 3.38Å; H523-V527 PolarHBondContact N-O 2.88Å; H523-V527 WeakPolarHBondContact O-CB 3.42Å; H523-C529 VanDerWaalsContact CD2-SG 3.59Å
524	G	86.1	Confident	86	Confident	50 Å²	50	63.6 Å²	63.6	52%	0.515	33%	0.332	S	S	.	.	S	Bend	trans	87.5	-173.3	-177.4	0	0	0	0	0	113.8	V522 A526	V522-G524 VanDerWaalsContact CG1-O 3.29Å; V522-G524 WeakPolarHBondContact CG1-O 3.34Å; V522-G524 PolarHBondContact O-N 3.44Å; G524-A526 VanDerWaalsContact C-N 3.31Å; G524-A526 PolarHBondContact O-N 3.33Å
525	E	84.4	Confident	85.9	Confident	148 Å²	148	56.2 Å²	56.2	69%	0.692	31%	0.311	S	S	*	.	S	Bend	trans	-73.8	-21	-168.9	-164.2	173.5	-175.6	0	0	113.9	L489 A501	L489-E525 HydrophobicContact CD1-CG 4.3Å; A501-E525 WeakPolarHBondContact CB-O 3.39Å
526	A	88.3	Confident	85.2	Confident	14 Å²	14	63.6 Å²	63.6	12%	0.116	35%	0.35	C	S	.	.	S	Bend	trans	-120.4	-2.4	-171.9	0	0	0	0	0	114.7	K486 L487 L489 G524	K486-A526 WeakPolarHBondContact CA-O 3.33Å; L487-A526 PolarHBondContact N-O 2.94Å; L489-A526 HydrophobicContact CD1-CB 4.02Å; L489-A526 HydrophobicContact CD2-CB 4.4Å; L489-A526 HydrophobicContact CG-CB 4.01Å; G524-A526 VanDerWaalsContact C-N 3.31Å; G524-A526 PolarHBondContact O-N 3.33Å
527	V	91.9	Very high	84.5	Confident	27 Å²	27	67.7 Å²	67.7	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128	-171.9	-170.1	0	0	0	0	111	L484 V485 H523	L484-V527 HydrophobicContact CD1-CG1 3.86Å; L484-V527 HydrophobicContact CD2-CG1 3.9Å; L484-V527 HydrophobicContact CG-CG1 3.68Å; V485-V527 WeakPolarHBondContact O-CA 3.39Å; H523-V527 PolarHBondContact N-O 2.88Å; H523-V527 WeakPolarHBondContact O-CB 3.42Å
528	V	93.1	Very high	83.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.8	175.4	-178	0	0	0	0	108.3	V485 A501 V504 I508 I520 V530	V485-V528 HydrophobicContact CB-CB 4.47Å; V485-V528 PolarHBondContact N-O 3.35Å; V485-V528 PolarHBondContact O-N 3.46Å; A501-V528 HydrophobicContact CB-CG2 3.88Å; V504-V528 HydrophobicContact CB-CG2 4.47Å; V504-V528 HydrophobicContact CG1-CG2 4.19Å; I508-V528 HydrophobicContact CD1-CG1 4.22Å; I520-V528 HydrophobicContact CG2-CG1 3.54Å; V528-V530 HydrophobicContact CG1-CG2 4.43Å
529	C	91.1	Very high	83.7	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.4	176.7	-65	0	0	0	0	109	F482 I483 I520 A521 H523	F482-C529 HydrophobicContact CD2-CB 4.06Å; I483-C529 CarbonylContact O-C 3.58Å; I483-C529 WeakPolarHBondContact O-CA 3.33Å; I520-C529 CarbonylContact C-O 3.57Å; I520-C529 VanDerWaalsContact CA-O 3.29Å; I520-C529 WeakPolarHBondContact CA-O 3.3Å; A521-C529 HydrophobicContact CB-CB 4.46Å; A521-C529 PolarHBondContact N-O 2.98Å; A521-C529 PolarHBondContact O-N 3.34Å; H523-C529 VanDerWaalsContact CD2-SG 3.59Å
530	V	91.4	Very high	83.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.5	178.1	-174.7	0	0	0	0	108.5	I483 I508 V515 I520 V528 L551	I483-V530 PolarHBondContact N-O 3.36Å; I483-V530 PolarHBondContact O-N 3.21Å; I508-V530 HydrophobicContact CD1-CG2 4.28Å; V515-V530 HydrophobicContact CG1-CG1 4.09Å; I520-V530 HydrophobicContact CG1-CG1 4.36Å; I520-V530 HydrophobicContact CG1-CG2 4.35Å; I520-V530 HydrophobicContact CG2-CG2 4.47Å; V528-V530 HydrophobicContact CG1-CG2 4.43Å; V530-L551 HydrophobicContact CG2-CD1 4.33Å; V530-L551 HydrophobicContact CG2-CD2 4.08Å
531	S	89.2	Confident	82.9	Confident	35 Å²	35	74.4 Å²	74.4	25%	0.245	39%	0.389	C	S	.	.			trans	-81.9	127.6	176.8	-58.7	0	0	0	0	110	D519	D519-S531 PolarHBondContact O-N 3.3Å
532	P	86.3	Confident	82.7	Confident	16 Å²	16	80.4 Å²	80.4	10%	0.104	41%	0.405	C	S	.	.			trans	-68.4	149.6	175.5	34.7	-38.8	0	0	0	110.3	C481 M540 V543 L544 L547	C481-P532 WeakPolarHBondContact O-CD 2.97Å; P532-M540 HydrophobicContact CG-CG 4.27Å; P532-V543 HydrophobicContact CB-CG1 4.23Å; P532-L544 HydrophobicContact CB-CD1 3.96Å; P532-L544 HydrophobicContact CG-CD1 3.6Å; P532-L547 HydrophobicContact CB-CD1 4.21Å
533	R	80.1	Confident	82.4	Confident	117 Å²	117	79.3 Å²	79.3	44%	0.442	40%	0.398	S	S	.	.			trans	-113.9	136.9	167.1	-77	-166.6	-177.9	-129.9	-5	110.8	S518 D519	S518-R533 PolarHBondContact OG-NH2 3.23Å; D519-R533 IonicContact OD1-CZ 3.87Å; D519-R533 IonicContact OD1-NE 3.11Å; D519-R533 PolarHBondContact OD1-NE 3.41Å; D519-R533 IonicContact OD1-NH2 2.76Å; D519-R533 PolarHBondContact OD1-NH2 3.42Å; D519-R533 VanDerWaalsContact OD2-CD 3.26Å; D519-R533 WeakPolarHBondContact OD2-CD 3.38Å; D519-R533 IonicContact OD2-CZ 2.84Å; D519-R533 IonicContact OD2-NE 2.85Å; D519-R533 PolarHBondContact OD2-NE 2.95Å; D519-R533 IonicContact OD2-NH2 2.91Å
534	E	73.3	Confident	82.5	Confident	144 Å²	144	73.6 Å²	73.6	67%	0.673	37%	0.372	S	S	*	.			trans	-64.4	139	170.1	-65.9	-172.3	159.2	0	0	110.8	M540	E534-M540 HydrophobicContact CG-CB 4Å; E534-M540 HydrophobicContact CG-CG 4.37Å; E534-M540 HydrophobicContact CG-SD 4.38Å
535	N	70.9	Confident	82.5	Confident	83 Å²	83	73.7 Å²	73.7	44%	0.444	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-119.4	143	172.6	-175.4	3	0	0	0	107.5	K537 S538	N535-K537 PolarHBondContact O-N 3.16Å; N535-S538 PolarHBondContact O-N 3.31Å
536	N	68.4	Low	82.7	Confident	173 Å²	173	68.8 Å²	68.8	93%	0.925	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-9.5	-176.1	-68.9	-2.2	0	0	0	114.8
537	K	68.4	Low	82.7	Confident	198 Å²	198	68.7 Å²	68.7	86%	0.861	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-8.8	-179.2	-62.8	-173.5	178.2	-175	0	114.6	N535	N535-K537 PolarHBondContact O-N 3.16Å
538	S	72.9	Confident	82.6	Confident	31 Å²	31	71.2 Å²	71.2	22%	0.217	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-147.3	130.6	-172.2	53.7	0	0	0	0	111.9	N535 V543	N535-S538 PolarHBondContact O-N 3.31Å; S538-V543 WeakPolarHBondContact OG-CG2 3.33Å
539	S	80.6	Confident	82.4	Confident	85 Å²	85	76.8 Å²	76.8	59%	0.594	37%	0.374	S	S	*	.			trans	-60.3	150.7	174.5	176.9	0	0	0	0	112	Y541 Y542 V543	S539-Y541 PolarHBondContact O-N 2.94Å; S539-Y542 WeakPolarHBondContact O-CB 3.49Å; S539-Y542 PolarHBondContact O-N 3.22Å; S539-V543 PolarHBondContact O-N 2.75Å; S539-V543 VanDerWaalsContact O-N 3.16Å
540	M	76.8	Confident	82.4	Confident	74 Å²	74	80.8 Å²	80.8	37%	0.365	39%	0.391	S	S	.	.	H	α-helix	trans	-51.9	-41.6	179.9	-169.1	160.8	75.2	0	0	112.7	C481 P532 E534 Y542 V543 L544	C481-M540 VanDerWaalsContact SG-CE 3.56Å; P532-M540 HydrophobicContact CG-CG 4.27Å; E534-M540 HydrophobicContact CG-CB 4Å; E534-M540 HydrophobicContact CG-CG 4.37Å; E534-M540 HydrophobicContact CG-SD 4.38Å; M540-Y542 VanDerWaalsContact C-N 3.32Å; M540-Y542 PolarHBondContact O-N 3.35Å; M540-V543 PolarHBondContact O-N 2.9Å; M540-L544 WeakPolarHBondContact O-CB 3.35Å; M540-L544 PolarHBondContact O-N 3.33Å
541	Y	82.6	Confident	82.4	Confident	152 Å²	152	80.8 Å²	80.8	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-59.2	-41.4	176	176.8	-100.2	0	0	0	112.6	S539 L544 Q545	S539-Y541 PolarHBondContact O-N 2.94Å; Y541-L544 PolarHBondContact O-N 2.94Å; Y541-Q545 HydrophobicContact CD1-CG 4.39Å; Y541-Q545 HydrophobicContact CD2-CG 4.47Å; Y541-Q545 HydrophobicContact CE1-CG 3.93Å; Y541-Q545 HydrophobicContact CE2-CG 4.02Å; Y541-Q545 WeakPolarHBondContact O-CG 3.49Å; Y541-Q545 PolarHBondContact O-N 2.85Å
542	Y	84.6	Confident	82.6	Confident	162 Å²	162	80.9 Å²	80.9	64%	0.635	39%	0.391	S	S	*	.	H	α-helix	trans	-69.2	-39.4	-178.9	-169.3	-94.6	0	0	0	111.6	S539 M540 S546	S539-Y542 WeakPolarHBondContact O-CB 3.49Å; S539-Y542 PolarHBondContact O-N 3.22Å; M540-Y542 VanDerWaalsContact C-N 3.32Å; M540-Y542 PolarHBondContact O-N 3.35Å; Y542-S546 WeakPolarHBondContact O-CB 3.15Å; Y542-S546 PolarHBondContact O-N 3.33Å
543	V	85	Confident	82.9	Confident	25 Å²	25	86.3 Å²	86.3	15%	0.152	41%	0.413	C	S	.	.	H	α-helix	trans	-64.6	-42.2	174.7	178.6	0	0	0	0	110.5	P532 S538 S539 M540 S546 L547	P532-V543 HydrophobicContact CB-CG1 4.23Å; S538-V543 WeakPolarHBondContact OG-CG2 3.33Å; S539-V543 PolarHBondContact O-N 2.75Å; S539-V543 VanDerWaalsContact O-N 3.16Å; M540-V543 PolarHBondContact O-N 2.9Å; V543-S546 PolarHBondContact O-N 3.27Å; V543-L547 HydrophobicContact CG1-CD1 3.96Å; V543-L547 HydrophobicContact CG1-CG 4.29Å; V543-L547 WeakPolarHBondContact O-CB 3.22Å; V543-L547 VanDerWaalsContact O-CG 3.3Å; V543-L547 WeakPolarHBondContact O-CG 3.48Å; V543-L547 PolarHBondContact O-N 3.06Å
544	L	86.1	Confident	83.5	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-46.3	178.5	-160.7	86.3	0	0	0	111.9	E474 F476 I483 P532 M540 Y541 S546 L547 K548	E474-L544 HydrophobicContact CB-CD2 4.31Å; E474-L544 HydrophobicContact CG-CD2 3.95Å; E474-L544 HydrophobicContact CG-CG 4.39Å; E474-L544 VanDerWaalsContact OE2-CD2 3.25Å; E474-L544 WeakPolarHBondContact OE2-CD2 2.99Å; F476-L544 HydrophobicContact CE1-CD2 3.6Å; F476-L544 HydrophobicContact CE2-CD2 4.3Å; F476-L544 HydrophobicContact CZ-CD2 3.3Å; I483-L544 HydrophobicContact CD1-CD1 4.13Å; I483-L544 HydrophobicContact CD1-CG 4.29Å; I483-L544 HydrophobicContact CG1-CD1 3.73Å; I483-L544 HydrophobicContact CG1-CG 4.19Å; P532-L544 HydrophobicContact CB-CD1 3.96Å; P532-L544 HydrophobicContact CG-CD1 3.6Å; M540-L544 WeakPolarHBondContact O-CB 3.35Å; M540-L544 PolarHBondContact O-N 3.33Å; Y541-L544 PolarHBondContact O-N 2.94Å; L544-S546 PolarHBondContact O-N 3.35Å; L544-L547 PolarHBondContact O-N 2.86Å; L544-K548 WeakPolarHBondContact O-CB 3.5Å; L544-K548 PolarHBondContact O-N 2.97Å
545	Q	87.8	Confident	84.5	Confident	52 Å²	52	76.6 Å²	76.6	24%	0.243	38%	0.376	C	S	.	.	H	α-helix	trans	-65	-38.2	176.3	-69	-57.4	-45.6	0	0	112.1	E474 Y541 K548 E549	E474-Q545 PolarHBondContact OE1-NE2 3Å; E474-Q545 PolarHBondContact OE2-NE2 3.43Å; E474-Q545 VanDerWaalsContact OE2-NE2 3.13Å; Y541-Q545 HydrophobicContact CD1-CG 4.39Å; Y541-Q545 HydrophobicContact CD2-CG 4.47Å; Y541-Q545 HydrophobicContact CE1-CG 3.93Å; Y541-Q545 HydrophobicContact CE2-CG 4.02Å; Y541-Q545 WeakPolarHBondContact O-CG 3.49Å; Y541-Q545 PolarHBondContact O-N 2.85Å; Q545-K548 PolarHBondContact O-N 3.26Å; Q545-E549 PolarHBondContact O-N 2.96Å
546	S	88.1	Confident	85.4	Confident	46 Å²	46	72.9 Å²	72.9	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-46.9	173.8	-169.9	0	0	0	0	111.5	Y542 V543 L544 K548 E549 E550	Y542-S546 WeakPolarHBondContact O-CB 3.15Å; Y542-S546 PolarHBondContact O-N 3.33Å; V543-S546 PolarHBondContact O-N 3.27Å; L544-S546 PolarHBondContact O-N 3.35Å; S546-K548 VanDerWaalsContact C-N 3.33Å; S546-K548 PolarHBondContact O-N 3.38Å; S546-E549 PolarHBondContact O-N 3.04Å; S546-E550 WeakPolarHBondContact O-CB 3.27Å; S546-E550 WeakPolarHBondContact O-CG 3.41Å; S546-E550 PolarHBondContact O-N 3Å
547	L	88.1	Confident	86.4	Confident	12 Å²	12	67 Å²	67	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-40.8	178.8	-75.9	174.1	0	0	0	111.2	I483 L513 V515 P532 V543 L544 E549 E550 L551	I483-L547 HydrophobicContact CD1-CB 3.52Å; L513-L547 HydrophobicContact CD1-CD2 4.36Å; L513-L547 HydrophobicContact CD2-CD2 4.06Å; V515-L547 HydrophobicContact CG1-CD2 4.32Å; P532-L547 HydrophobicContact CB-CD1 4.21Å; V543-L547 HydrophobicContact CG1-CD1 3.96Å; V543-L547 HydrophobicContact CG1-CG 4.29Å; V543-L547 WeakPolarHBondContact O-CB 3.22Å; V543-L547 VanDerWaalsContact O-CG 3.3Å; V543-L547 WeakPolarHBondContact O-CG 3.48Å; V543-L547 PolarHBondContact O-N 3.06Å; L544-L547 PolarHBondContact O-N 2.86Å; L547-E549 VanDerWaalsContact C-N 3.26Å; L547-E549 PolarHBondContact O-N 2.84Å; L547-E550 PolarHBondContact O-N 2.84Å; L547-L551 WeakPolarHBondContact O-CB 3.34Å; L547-L551 PolarHBondContact O-N 3.24Å
548	K	89.3	Confident	87.6	Confident	80 Å²	80	58.7 Å²	58.7	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-37.5	175.6	173.5	171.2	173.4	-169.7	0	113.3	E474 I483 L544 Q545 S546 P552	E474-K548 HydrophobicContact CG-CD 4.21Å; E474-K548 WeakPolarHBondContact OE1-CD 3.48Å; E474-K548 WeakPolarHBondContact OE1-CE 3.47Å; E474-K548 IonicContact OE1-NZ 3.69Å; E474-K548 PolarHBondContact OE1-NZ 3.28Å; I483-K548 HydrophobicContact CD1-CB 4.43Å; L544-K548 WeakPolarHBondContact O-CB 3.5Å; L544-K548 PolarHBondContact O-N 2.97Å; Q545-K548 PolarHBondContact O-N 3.26Å; S546-K548 VanDerWaalsContact C-N 3.33Å; S546-K548 PolarHBondContact O-N 3.38Å; K548-P552 WeakPolarHBondContact O-CD 3.38Å; K548-P552 VanDerWaalsContact O-CG 3.29Å; K548-P552 WeakPolarHBondContact O-CG 3.39Å
549	E	90.2	Very high	88.6	Confident	117 Å²	117	57.9 Å²	57.9	55%	0.547	29%	0.287	S	S	.	.	H	α-helix	trans	-79.8	-28.6	178.4	-74.3	-63.1	152.3	0	0	113.6	Q545 S546 L547 K553	Q545-E549 PolarHBondContact O-N 2.96Å; S546-E549 PolarHBondContact O-N 3.04Å; L547-E549 VanDerWaalsContact C-N 3.26Å; L547-E549 PolarHBondContact O-N 2.84Å; E549-K553 WeakPolarHBondContact O-CE 3.37Å; E549-K553 PolarHBondContact O-NZ 3.28Å; E549-K553 IonicContact OE2-NZ 2.73Å
550	E	90.9	Very high	89.1	Confident	92 Å²	92	57.5 Å²	57.5	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-95.8	-33.1	-175.5	-66.8	-173.9	152	0	0	113.6	L513 S546 L547 P552 K553	L513-E550 HydrophobicContact CD2-CB 3.72Å; L513-E550 HydrophobicContact CD2-CG 4.49Å; L513-E550 WeakPolarHBondContact CD2-OE2 3.44Å; S546-E550 WeakPolarHBondContact O-CB 3.27Å; S546-E550 WeakPolarHBondContact O-CG 3.41Å; S546-E550 PolarHBondContact O-N 3Å; L547-E550 PolarHBondContact O-N 2.84Å; E550-P552 VanDerWaalsContact C-CD 3.46Å; E550-K553 WeakPolarHBondContact O-CB 3.44Å; E550-K553 PolarHBondContact O-N 2.78Å
551	L	90.9	Very high	89.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-58.1	-41.7	-178.8	-165.6	67.1	0	0	0	113	L465 I483 V485 I508 L513 V530 L547 K553 V554	L465-L551 HydrophobicContact CD2-CD1 4.23Å; L465-L551 HydrophobicContact CD2-CG 3.96Å; I483-L551 HydrophobicContact CG2-CD2 3.86Å; V485-L551 HydrophobicContact CG2-CD2 3.49Å; V485-L551 VanDerWaalsContact CG2-CD2 3.49Å; V485-L551 HydrophobicContact CG2-CG 4.37Å; I508-L551 HydrophobicContact CD1-CD1 4Å; I508-L551 HydrophobicContact CG1-CD1 4.03Å; I508-L551 HydrophobicContact CG2-CD1 4.03Å; L513-L551 HydrophobicContact CD1-CD1 3.99Å; V530-L551 HydrophobicContact CG2-CD1 4.33Å; V530-L551 HydrophobicContact CG2-CD2 4.08Å; L547-L551 WeakPolarHBondContact O-CB 3.34Å; L547-L551 PolarHBondContact O-N 3.24Å; L551-K553 PolarHBondContact O-N 2.95Å; L551-V554 WeakPolarHBondContact O-CB 3.33Å; L551-V554 WeakPolarHBondContact O-CG2 3.46Å; L551-V554 PolarHBondContact O-N 3.09Å
552	P	93.2	Very high	90.3	Very high	37 Å²	37	51.6 Å²	51.6	24%	0.24	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62.6	-25.2	175.8	-18.4	29.7	0	0	0	113.4	L465 G466 I472 K548 E550 V554	L465-P552 PolarHBondContact N-O 2.81Å; G466-P552 PolarHBondContact N-O 3.04Å; I472-P552 HydrophobicContact CD1-CB 4.03Å; I472-P552 HydrophobicContact CD1-CG 3.73Å; K548-P552 WeakPolarHBondContact O-CD 3.38Å; K548-P552 VanDerWaalsContact O-CG 3.29Å; K548-P552 WeakPolarHBondContact O-CG 3.39Å; E550-P552 VanDerWaalsContact C-CD 3.46Å; P552-V554 VanDerWaalsContact C-N 3.35Å
553	K	92.9	Very high	90.4	Very high	130 Å²	130	46.4 Å²	46.4	57%	0.565	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-88.3	-0.7	-176.4	-60	171.6	-177.4	129.8	0	112.9	E549 E550 L551 V555	E549-K553 WeakPolarHBondContact O-CE 3.37Å; E549-K553 PolarHBondContact O-NZ 3.28Å; E549-K553 IonicContact OE2-NZ 2.73Å; E550-K553 WeakPolarHBondContact O-CB 3.44Å; E550-K553 PolarHBondContact O-N 2.78Å; L551-K553 PolarHBondContact O-N 2.95Å; K553-V555 PolarHBondContact O-N 2.84Å
554	V	92.7	Very high	90.6	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	26%	0.256	C	S	.	.	S	Bend	trans	-67.9	130.3	175.7	175.5	0	0	0	0	109.5	L464 L465 I508 L513 L551 P552 V556	L464-V554 WeakPolarHBondContact CA-O 3.41Å; L465-V554 HydrophobicContact CB-CB 4.49Å; L465-V554 PolarHBondContact N-O 2.95Å; I508-V554 HydrophobicContact CG1-CG1 4.43Å; L513-V554 HydrophobicContact CD1-CG2 3.61Å; L513-V554 HydrophobicContact CG-CG2 4.46Å; L551-V554 WeakPolarHBondContact O-CB 3.33Å; L551-V554 WeakPolarHBondContact O-CG2 3.46Å; L551-V554 PolarHBondContact O-N 3.09Å; P552-V554 VanDerWaalsContact C-N 3.35Å; V554-V556 PolarHBondContact O-N 3.23Å
555	V	93	Very high	90.8	Very high	46 Å²	46	48.6 Å²	48.6	28%	0.279	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117.6	174.7	-178.2	0	0	0	0	108.4	K462 L464 K553	K462-V555 HydrophobicContact CB-CG1 4.32Å; L464-V555 HydrophobicContact CD2-CG2 4.01Å; K553-V555 PolarHBondContact O-N 2.84Å
556	V	91.3	Very high	90.8	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-37.6	-178	-71.2	0	0	0	0	112.4	T463 L465 I468 V504 S507 V554	T463-V556 VanDerWaalsContact O-CG2 3.29Å; T463-V556 WeakPolarHBondContact O-CG2 3.44Å; T463-V556 PolarHBondContact O-N 3.18Å; L465-V556 HydrophobicContact CB-CG1 3.71Å; L465-V556 HydrophobicContact CD1-CG1 3.78Å; L465-V556 HydrophobicContact CG-CG1 4.27Å; I468-V556 HydrophobicContact CD1-CB 4.37Å; I468-V556 HydrophobicContact CD1-CG1 4.37Å; I468-V556 HydrophobicContact CD1-CG2 3.76Å; I468-V556 HydrophobicContact CG1-CG2 4.29Å; V504-V556 HydrophobicContact CG2-CG1 4.14Å; S507-V556 PolarHBondContact OG-O 2.89Å; V554-V556 PolarHBondContact O-N 3.23Å
557	Q	89.7	Confident	90.9	Very high	50 Å²	50	46.8 Å²	46.8	23%	0.234	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.3	-179.1	-173.4	71.2	-5.4	0	0	109.1	T463 V499	T463-Q557 PolarHBondContact N-O 2.81Å; T463-Q557 WeakPolarHBondContact OG1-CB 3.24Å; T463-Q557 PolarHBondContact OG1-O 2.79Å; V499-Q557 HydrophobicContact CG2-CB 3.53Å; V499-Q557 HydrophobicContact CG2-CG 3.87Å
558	G	91.8	Very high	90.8	Very high	23 Å²	23	47.4 Å²	47.4	24%	0.237	25%	0.247	C	C	.	.	S	Bend	trans	101.6	179.7	-179	0	0	0	0	0	113.7	R459 E461	R459-G558 WeakPolarHBondContact O-CA 3.13Å; E461-G558 WeakPolarHBondContact O-CA 3.44Å
559	I	93.9	Very high	90.6	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.072	25%	0.25	C	C	.	.			trans	-93.1	122.1	-178.8	-60.3	169.9	0	0	0	108.8	I460 E561 V562 N586 A589 V590	I460-I559 HydrophobicContact CG2-CD1 4.23Å; I460-I559 PolarHBondContact O-N 3.18Å; I559-E561 VanDerWaalsContact C-N 3.27Å; I559-E561 WeakPolarHBondContact CG2-OE2 3.47Å; I559-E561 PolarHBondContact O-N 3.09Å; I559-V562 HydrophobicContact CB-CB 4.27Å; I559-V562 HydrophobicContact CB-CG2 3.76Å; I559-V562 HydrophobicContact CD1-CG2 4.36Å; I559-V562 HydrophobicContact CG2-CG2 3.92Å; I559-V562 PolarHBondContact O-N 2.81Å; I559-N586 HydrophobicContact CG2-CB 4.03Å; I559-A589 HydrophobicContact CD1-CB 3.59Å; I559-A589 HydrophobicContact CG1-CB 4.01Å; I559-A589 HydrophobicContact CG2-CB 4.08Å; I559-V590 HydrophobicContact CD1-CB 4.47Å; I559-V590 HydrophobicContact CD1-CG2 3.72Å
560	P	91.4	Very high	90.1	Very high	77 Å²	77	43.8 Å²	43.8	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.7	-174.5	-26.9	35.3	0	0	0	114.8	V562	P560-V562 VanDerWaalsContact C-N 3.31Å
561	E	92.1	Very high	89.2	Confident	102 Å²	102	47 Å²	47	48%	0.477	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.4	-179.3	-60.2	79	-164.8	0	0	113.7	I559 N586	I559-E561 VanDerWaalsContact C-N 3.27Å; I559-E561 WeakPolarHBondContact CG2-OE2 3.47Å; I559-E561 PolarHBondContact O-N 3.09Å; E561-N586 HydrophobicContact CB-CB 3.92Å; E561-N586 HydrophobicContact CG-CB 4.24Å; E561-N586 PolarHBondContact OE2-ND2 2.98Å
562	V	92.9	Very high	88	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.8	177	173.2	0	0	0	0	109.2	I460 K462 I559 P560 V582 V590	I460-V562 HydrophobicContact CG2-CG1 4.27Å; I460-V562 HydrophobicContact CG2-CG2 4.14Å; K462-V562 WeakPolarHBondContact CD-O 3.25Å; K462-V562 WeakPolarHBondContact CE-O 3.45Å; K462-V562 VanDerWaalsContact CG-O 3.3Å; K462-V562 WeakPolarHBondContact CG-O 3.34Å; I559-V562 HydrophobicContact CB-CB 4.27Å; I559-V562 HydrophobicContact CB-CG2 3.76Å; I559-V562 HydrophobicContact CD1-CG2 4.36Å; I559-V562 HydrophobicContact CG2-CG2 3.92Å; I559-V562 PolarHBondContact O-N 2.81Å; P560-V562 VanDerWaalsContact C-N 3.31Å; V562-V582 HydrophobicContact CB-CG1 4.23Å; V562-V582 HydrophobicContact CG1-CG1 3.53Å; V562-V582 HydrophobicContact CG2-CG1 3.61Å; V562-V590 HydrophobicContact CG2-CG2 4.42Å
563	A	87.9	Confident	86.3	Confident	53 Å²	53	57.9 Å²	57.9	44%	0.438	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-50.5	176.7	0	0	0	0	0	111.1	E583	A563-E583 PolarHBondContact N-O 3.23Å
564	R	87.7	Confident	84.9	Confident	71 Å²	71	55.5 Å²	55.5	27%	0.268	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	159.9	-178.3	62.9	-175.3	-63.9	-152.3	6.2	110.8	G96 S415 M416 E583	G96-R564 PolarHBondContact O-NH2 2.81Å; S415-R564 PolarHBondContact O-NH1 2.92Å; M416-R564 HydrophobicContact CE-CG 4.49Å; R564-E583 WeakPolarHBondContact CD-OE2 3.46Å; R564-E583 HydrophobicContact CG-CB 3.85Å; R564-E583 WeakPolarHBondContact CG-OE2 2.89Å; R564-E583 PolarHBondContact O-N 2.91Å
565	A	89.9	Confident	84	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.8	170.3	0	0	0	0	0	110.8	K457 E461 L580 L581 V582	K457-A565 WeakPolarHBondContact CE-O 3.47Å; K457-A565 HydrophobicContact CG-CB 4.22Å; E461-A565 HydrophobicContact CB-CB 4.3Å; E461-A565 PolarHBondContact OE1-N 3.28Å; A565-L580 HydrophobicContact CB-CD1 3.96Å; A565-L580 HydrophobicContact CB-CD2 4.25Å; A565-L580 HydrophobicContact CB-CG 4.19Å; A565-L581 CarbonylContact C-O 3.6Å; A565-L581 WeakPolarHBondContact CA-O 3.27Å; A565-V582 HydrophobicContact CB-CG2 4.24Å
566	V	89.2	Confident	83.3	Confident	12 Å²	12	64 Å²	64	7%	0.073	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.4	-177.6	177.4	0	0	0	0	109.9	V413 M416 L581	V413-V566 HydrophobicContact CG1-CG1 4.19Å; M416-V566 HydrophobicContact CE-CB 3.88Å; M416-V566 HydrophobicContact CE-CG2 3.72Å; V566-L581 PolarHBondContact N-O 2.95Å; V566-L581 PolarHBondContact O-N 3Å
567	I	89.3	Confident	83.2	Confident	47 Å²	47	67.2 Å²	67.2	24%	0.241	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.2	176	-60	169	0	0	0	108.1	A453 R454 K457 Y578 L580	A453-I567 HydrophobicContact CB-CD1 3.87Å; A453-I567 HydrophobicContact CB-CG1 4.33Å; A453-I567 HydrophobicContact CB-CG2 4.42Å; R454-I567 HydrophobicContact CG-CD1 4.16Å; K457-I567 HydrophobicContact CD-CD1 4.15Å; K457-I567 HydrophobicContact CD-CG1 4.2Å; I567-Y578 HydrophobicContact CG2-CD1 3.69Å; I567-Y578 HydrophobicContact CG2-CG 4.23Å; I567-L580 HydrophobicContact CG1-CD1 4.02Å
568	H	86.7	Confident	83.2	Confident	25 Å²	25	66.8 Å²	66.8	12%	0.116	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.7	174.6	178.5	-48.2	0	0	0	109.6	V413 Y578 K579 L581	V413-H568 HydrophobicContact CG2-CB 4.13Å; V413-H568 WeakPolarHBondContact CG2-CD2 3.45Å; H568-Y578 WeakPolarHBondContact O-CA 3.45Å; H568-K579 HydrophobicContact CB-CD 4.5Å; H568-K579 HydrophobicContact CB-CG 3.78Å; H568-K579 PolarHBondContact N-O 3.23Å; H568-K579 WeakPolarHBondContact ND1-CE 3.42Å; H568-K579 PolarHBondContact O-N 3.32Å; H568-L581 HydrophobicContact CB-CD1 4.09Å; H568-L581 HydrophobicContact CB-CG 4.17Å
569	I	85.2	Confident	83.1	Confident	79 Å²	79	67.9 Å²	67.9	41%	0.405	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.8	176.5	-45.6	-176.6	0	0	0	108.8	N576 Y578	I569-N576 HydrophobicContact CG2-CB 4.22Å; I569-Y578 HydrophobicContact CD1-CE1 3.98Å; I569-Y578 HydrophobicContact CG1-CD1 3.97Å; I569-Y578 HydrophobicContact CG1-CE1 3.76Å; I569-Y578 HydrophobicContact CG2-CE1 4.29Å
570	D	79.6	Confident	83	Confident	42 Å²	42	67.3 Å²	67.3	23%	0.225	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	174.9	-162.7	-17.8	0	0	0	110.2	Q572 K577	D570-Q572 WeakPolarHBondContact OD1-CB 3.48Å; D570-Q572 VanDerWaalsContact OD1-CG 3.23Å; D570-Q572 WeakPolarHBondContact OD1-CG 3.44Å; D570-Q572 PolarHBondContact OD1-N 3.49Å; D570-Q572 VanDerWaalsContact OD1-N 3.17Å; D570-K577 HydrophobicContact CB-CB 4.41Å; D570-K577 PolarHBondContact N-O 3.31Å
571	E	71	Confident	83.1	Confident	161 Å²	161	64.1 Å²	64.1	75%	0.752	34%	0.341	S	S	*	.			trans	-95.8	0	-176.7	-65.1	-173.2	170.2	0	0	113.3	S573	E571-S573 VanDerWaalsContact C-N 3.28Å; E571-S573 PolarHBondContact O-N 3.39Å; E571-S573 VanDerWaalsContact O-N 3.09Å
572	Q	66.9	Low	83.1	Confident	172 Å²	172	59.3 Å²	59.3	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.1	-166.7	-72.2	179.4	8.7	0	0	116.2	D570	D570-Q572 WeakPolarHBondContact OD1-CB 3.48Å; D570-Q572 VanDerWaalsContact OD1-CG 3.23Å; D570-Q572 WeakPolarHBondContact OD1-CG 3.44Å; D570-Q572 PolarHBondContact OD1-N 3.49Å; D570-Q572 VanDerWaalsContact OD1-N 3.17Å
573	S	57.2	Low	83	Confident	93 Å²	93	61.9 Å²	61.9	65%	0.65	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	12	-167.7	-58.8	0	0	0	0	115.9	E571 K575	E571-S573 VanDerWaalsContact C-N 3.28Å; E571-S573 PolarHBondContact O-N 3.39Å; E571-S573 VanDerWaalsContact O-N 3.09Å; S573-K575 PolarHBondContact O-N 3.44Å; S573-K575 VanDerWaalsContact O-N 3.1Å
574	G	63.2	Low	83.1	Confident	81 Å²	81	59.5 Å²	59.5	84%	0.835	31%	0.311	S	S	*	.	S	Bend	trans	67.7	4.4	-175.8	0	0	0	0	0	114.8
575	K	73.9	Confident	83.3	Confident	140 Å²	140	58.4 Å²	58.4	61%	0.609	31%	0.311	S	S	*	.	S	Bend	trans	-121.3	134.4	166.6	-67.9	-172.4	176.6	-171.4	0	108.3	S573 K577	S573-K575 PolarHBondContact O-N 3.44Å; S573-K575 VanDerWaalsContact O-N 3.1Å; K575-K577 PolarHBondContact O-N 2.86Å
576	N	78.9	Confident	83.5	Confident	94 Å²	94	60.2 Å²	60.2	50%	0.503	32%	0.32	S	S	.	.			trans	-75.9	104	177.8	-66.5	-9.8	0	0	0	109	I569	I569-N576 HydrophobicContact CG2-CB 4.22Å
577	K	87.9	Confident	83.7	Confident	73 Å²	73	59.7 Å²	59.7	32%	0.317	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.9	174.9	-71.3	170.6	165.6	-115.4	0	109.8	E447 D570 K575	E447-K577 HydrophobicContact CB-CB 4.24Å; E447-K577 HydrophobicContact CB-CG 4.26Å; E447-K577 WeakPolarHBondContact OE2-CD 3.29Å; E447-K577 WeakPolarHBondContact OE2-CE 3.29Å; E447-K577 IonicContact OE2-NZ 3.87Å; E447-K577 PolarHBondContact OE2-NZ 3.49Å; D570-K577 HydrophobicContact CB-CB 4.41Å; D570-K577 PolarHBondContact N-O 3.31Å; K575-K577 PolarHBondContact O-N 2.86Å
578	Y	89.6	Confident	84	Confident	40 Å²	40	64.1 Å²	64.1	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.6	176.8	-59	-68.8	0	0	0	110.7	E447 A450 I567 H568 I569	E447-Y578 WeakPolarHBondContact O-CD2 3.48Å; E447-Y578 PolarHBondContact O-N 3.29Å; A450-Y578 HydrophobicContact CB-CE2 3.92Å; I567-Y578 HydrophobicContact CG2-CD1 3.69Å; I567-Y578 HydrophobicContact CG2-CG 4.23Å; H568-Y578 WeakPolarHBondContact O-CA 3.45Å; I569-Y578 HydrophobicContact CD1-CE1 3.98Å; I569-Y578 HydrophobicContact CG1-CD1 3.97Å; I569-Y578 HydrophobicContact CG1-CE1 3.76Å; I569-Y578 HydrophobicContact CG2-CE1 4.29Å
579	K	90.8	Very high	84.4	Confident	47 Å²	47	64.3 Å²	64.3	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.3	168.3	66.9	-172.4	174.8	-172	0	109.5	H568	H568-K579 HydrophobicContact CB-CD 4.5Å; H568-K579 HydrophobicContact CB-CG 3.78Å; H568-K579 PolarHBondContact N-O 3.23Å; H568-K579 WeakPolarHBondContact ND1-CE 3.42Å; H568-K579 PolarHBondContact O-N 3.32Å
580	L	91.8	Very high	84.9	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.3	179.4	-169.9	72.2	0	0	0	109.7	A442 L444 K457 I460 A565 I567 V582	A442-L580 HydrophobicContact CB-CB 4.25Å; A442-L580 PolarHBondContact N-O 3.26Å; A442-L580 PolarHBondContact O-N 3.19Å; L444-L580 HydrophobicContact CD2-CB 4.44Å; K457-L580 HydrophobicContact CB-CD1 4.07Å; K457-L580 HydrophobicContact CG-CD1 4.21Å; I460-L580 HydrophobicContact CD1-CD2 3.47Å; I460-L580 VanDerWaalsContact CD1-CD2 3.47Å; A565-L580 HydrophobicContact CB-CD1 3.96Å; A565-L580 HydrophobicContact CB-CD2 4.25Å; A565-L580 HydrophobicContact CB-CG 4.19Å; I567-L580 HydrophobicContact CG1-CD1 4.02Å; L580-V582 HydrophobicContact CD2-CG2 3.65Å; L580-V582 HydrophobicContact CG-CG2 3.79Å
581	L	92.3	Very high	85.7	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.5	169.2	-59.6	-179.5	0	0	0	107.8	V413 M416 T441 A565 V566 H568	V413-L581 HydrophobicContact CG2-CD1 4.22Å; M416-L581 HydrophobicContact CE-CB 4.01Å; M416-L581 WeakPolarHBondContact CE-O 3.41Å; M416-L581 HydrophobicContact SD-CB 3.61Å; M416-L581 HydrophobicContact SD-CD1 4.07Å; T441-L581 HydrophobicContact CG2-CD2 4.02Å; A565-L581 CarbonylContact C-O 3.6Å; A565-L581 WeakPolarHBondContact CA-O 3.27Å; V566-L581 PolarHBondContact N-O 2.95Å; V566-L581 PolarHBondContact O-N 3Å; H568-L581 HydrophobicContact CB-CD1 4.09Å; H568-L581 HydrophobicContact CB-CG 4.17Å
582	V	92.8	Very high	86.8	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	-175.7	-177.4	0	0	0	0	108.1	I439 I440 A442 I460 V562 A565 L580 V590	I439-V582 WeakPolarHBondContact CA-O 3.23Å; I440-V582 HydrophobicContact CB-CB 4.21Å; I440-V582 PolarHBondContact N-O 3.16Å; I440-V582 PolarHBondContact O-N 2.86Å; A442-V582 HydrophobicContact CB-CG2 4.4Å; I460-V582 HydrophobicContact CG2-CB 4.5Å; I460-V582 HydrophobicContact CG2-CG1 3.72Å; I460-V582 HydrophobicContact CG2-CG2 3.89Å; V562-V582 HydrophobicContact CB-CG1 4.23Å; V562-V582 HydrophobicContact CG1-CG1 3.53Å; V562-V582 HydrophobicContact CG2-CG1 3.61Å; A565-V582 HydrophobicContact CB-CG2 4.24Å; L580-V582 HydrophobicContact CD2-CG2 3.65Å; L580-V582 HydrophobicContact CG-CG2 3.79Å; V582-V590 HydrophobicContact CG1-CG2 4.21Å; V582-V590 HydrophobicContact CG2-CG1 4.46Å
583	E	91.9	Very high	88.2	Confident	54 Å²	54	49.9 Å²	49.9	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	107	174.9	-172.2	179.3	172.9	0	0	109	M416 P438 A563 R564	M416-E583 HydrophobicContact CE-CB 4.22Å; P438-E583 CarbonylContact O-C 3.56Å; P438-E583 WeakPolarHBondContact O-CA 3.35Å; A563-E583 PolarHBondContact N-O 3.23Å; R564-E583 WeakPolarHBondContact CD-OE2 3.46Å; R564-E583 HydrophobicContact CG-CB 3.85Å; R564-E583 WeakPolarHBondContact CG-OE2 2.89Å; R564-E583 PolarHBondContact O-N 2.91Å
584	G	90.4	Very high	90	Very high	4 Å²	4	52.3 Å²	52.3	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	167.7	-175.9	0	0	0	0	0	113.8	P438 I440	P438-G584 PolarHBondContact O-N 3.41Å; I440-G584 VanDerWaalsContact CD1-O 3.28Å; I440-G584 WeakPolarHBondContact CD1-O 3.43Å
585	D	90	Very high	91.3	Very high	48 Å²	48	48.5 Å²	48.5	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-106.6	10.5	-170	-86.3	-41.6	0	0	0	114.5	P438 N605 E608	P438-D585 WeakPolarHBondContact CB-OD1 3.33Å; P438-D585 WeakPolarHBondContact CG-OD1 3.48Å; D585-N605 PolarHBondContact OD1-ND2 3.19Å; D585-E608 VanDerWaalsContact O-CG 3.24Å; D585-E608 WeakPolarHBondContact O-CG 3.37Å; D585-E608 VanDerWaalsContact O-OE2 3.07Å
586	N	94.1	Very high	92.4	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.214	22%	0.218	C	C	.	.			trans	-112.7	76.9	-177	-167.8	-14.4	0	0	0	112.5	I559 E561 R588 A589 V590	I559-N586 HydrophobicContact CG2-CB 4.03Å; E561-N586 HydrophobicContact CB-CB 3.92Å; E561-N586 HydrophobicContact CG-CB 4.24Å; E561-N586 PolarHBondContact OE2-ND2 2.98Å; N586-R588 VanDerWaalsContact C-N 3.34Å; N586-R588 PolarHBondContact O-N 3.44Å; N586-A589 HydrophobicContact CB-CB 4.48Å; N586-A589 PolarHBondContact O-N 3.22Å; N586-A589 WeakPolarHBondContact OD1-CB 3.35Å; N586-A589 PolarHBondContact OD1-N 3Å; N586-V590 WeakPolarHBondContact O-CG2 3.41Å; N586-V590 PolarHBondContact O-N 2.98Å
587	M	94	Very high	93.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-39.6	-177.1	-175.2	178.6	179.9	0	0	112.5	I440 A589 V590 M591 T601 S603 V609 L613	I440-M587 HydrophobicContact CD1-CB 4.29Å; M587-A589 PolarHBondContact O-N 3.28Å; M587-V590 PolarHBondContact O-N 2.95Å; M587-M591 HydrophobicContact CE-SD 3.8Å; M587-M591 HydrophobicContact CG-CG 4.24Å; M587-M591 HydrophobicContact CG-SD 3.93Å; M587-M591 VanDerWaalsContact O-CG 3.32Å; M587-M591 WeakPolarHBondContact O-CG 3.43Å; M587-M591 PolarHBondContact O-N 3.4Å; M587-M591 HydrophobicContact SD-SD 4.44Å; M587-T601 HydrophobicContact CE-CG2 4.48Å; M587-T601 VanDerWaalsContact CE-O 3.28Å; M587-T601 WeakPolarHBondContact CE-O 3.35Å; M587-S603 VanDerWaalsContact SD-CB 3.57Å; M587-V609 HydrophobicContact SD-CG2 3.96Å; M587-L613 HydrophobicContact CE-CD1 3.9Å
588	R	95.8	Very high	93.4	Very high	139 Å²	139	37.4 Å²	37.4	53%	0.525	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-44.9	-177.8	-174.8	-177.7	-62.7	167.2	-1.7	112.4	N586 M591 A592 R611 T612	N586-R588 VanDerWaalsContact C-N 3.34Å; N586-R588 PolarHBondContact O-N 3.44Å; R588-M591 PolarHBondContact O-N 3.23Å; R588-A592 WeakPolarHBondContact O-CB 3.34Å; R588-A592 PolarHBondContact O-N 3.03Å; R588-A592 VanDerWaalsContact O-N 3.12Å; R588-R611 PolarHBondContact NH2-O 3.36Å; R588-T612 HydrophobicContact CB-CG2 4.06Å; R588-T612 HydrophobicContact CG-CG2 4.46Å
589	A	95.4	Very high	93.6	Very high	29 Å²	29	40.5 Å²	40.5	24%	0.24	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-40.2	179.4	0	0	0	0	0	111.6	I559 N586 M587 M591 A592 T593	I559-A589 HydrophobicContact CD1-CB 3.59Å; I559-A589 HydrophobicContact CG1-CB 4.01Å; I559-A589 HydrophobicContact CG2-CB 4.08Å; N586-A589 HydrophobicContact CB-CB 4.48Å; N586-A589 PolarHBondContact O-N 3.22Å; N586-A589 WeakPolarHBondContact OD1-CB 3.35Å; N586-A589 PolarHBondContact OD1-N 3Å; M587-A589 PolarHBondContact O-N 3.28Å; A589-M591 PolarHBondContact O-N 3.33Å; A589-A592 PolarHBondContact O-N 3.12Å; A589-T593 PolarHBondContact O-N 2.9Å; A589-T593 PolarHBondContact O-OG1 3.38Å
590	V	95.6	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.9	176.6	0	0	0	0	111	I440 A442 I460 I559 V562 V582 N586 M587 A592 T593 T601	I440-V590 HydrophobicContact CD1-CG2 4.07Å; I440-V590 HydrophobicContact CG2-CB 4.38Å; I440-V590 HydrophobicContact CG2-CG1 3.99Å; A442-V590 HydrophobicContact CB-CG1 3.89Å; I460-V590 HydrophobicContact CD1-CG1 4.43Å; I460-V590 HydrophobicContact CG2-CG2 4.15Å; I559-V590 HydrophobicContact CD1-CB 4.47Å; I559-V590 HydrophobicContact CD1-CG2 3.72Å; V562-V590 HydrophobicContact CG2-CG2 4.42Å; V582-V590 HydrophobicContact CG1-CG2 4.21Å; V582-V590 HydrophobicContact CG2-CG1 4.46Å; N586-V590 WeakPolarHBondContact O-CG2 3.41Å; N586-V590 PolarHBondContact O-N 2.98Å; M587-V590 PolarHBondContact O-N 2.95Å; V590-A592 VanDerWaalsContact C-N 3.28Å; V590-A592 PolarHBondContact O-N 3.06Å; V590-T593 PolarHBondContact O-N 2.63Å; V590-T601 HydrophobicContact CG1-CG2 4.47Å
591	M	95.4	Very high	93.8	Very high	44 Å²	44	44.7 Å²	44.7	22%	0.217	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-32.6	177.6	-73.1	174.5	74.3	0	0	113.6	M587 R588 A589 T593 G598 T601 T612 L613	M587-M591 HydrophobicContact CE-SD 3.8Å; M587-M591 HydrophobicContact CG-CG 4.24Å; M587-M591 HydrophobicContact CG-SD 3.93Å; M587-M591 VanDerWaalsContact O-CG 3.32Å; M587-M591 WeakPolarHBondContact O-CG 3.43Å; M587-M591 PolarHBondContact O-N 3.4Å; M587-M591 HydrophobicContact SD-SD 4.44Å; R588-M591 PolarHBondContact O-N 3.23Å; A589-M591 PolarHBondContact O-N 3.33Å; M591-T593 VanDerWaalsContact C-N 3.33Å; M591-G598 VanDerWaalsContact CE-O 3.26Å; M591-G598 WeakPolarHBondContact CE-O 3.32Å; M591-T601 HydrophobicContact CG-CG2 4.02Å; M591-T612 HydrophobicContact SD-CG2 3.77Å; M591-L613 HydrophobicContact CE-CD2 3.88Å; M591-L613 HydrophobicContact SD-CD2 4.46Å
592	A	95.8	Very high	93.9	Very high	84 Å²	84	47.9 Å²	47.9	69%	0.694	26%	0.263	S	S	*	.	H	α-helix	trans	-84.5	-6.8	-178.5	0	0	0	0	0	113.3	R588 A589 V590	R588-A592 WeakPolarHBondContact O-CB 3.34Å; R588-A592 PolarHBondContact O-N 3.03Å; R588-A592 VanDerWaalsContact O-N 3.12Å; A589-A592 PolarHBondContact O-N 3.12Å; V590-A592 VanDerWaalsContact C-N 3.28Å; V590-A592 PolarHBondContact O-N 3.06Å
593	T	95.1	Very high	94	Very high	23 Å²	23	48.1 Å²	48.1	14%	0.141	27%	0.265	C	S	.	.	S	Bend	trans	-74.3	129	-177.3	-59	0	0	0	0	110.6	R459 I460 A589 V590 M591 G595 V596	R459-T593 HydrophobicContact CB-CG2 3.79Å; I460-T593 HydrophobicContact CD1-CG2 4.41Å; I460-T593 HydrophobicContact CG1-CG2 3.92Å; A589-T593 PolarHBondContact O-N 2.9Å; A589-T593 PolarHBondContact O-OG1 3.38Å; V590-T593 PolarHBondContact O-N 2.63Å; M591-T593 VanDerWaalsContact C-N 3.33Å; T593-G595 PolarHBondContact O-N 2.87Å; T593-V596 WeakPolarHBondContact O-CB 3.35Å; T593-V596 PolarHBondContact O-N 3.27Å; T593-V596 VanDerWaalsContact O-N 3.11Å
594	H	94.4	Very high	94.1	Very high	144 Å²	144	46.1 Å²	46.1	67%	0.667	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	125.1	-179.9	-179	-65.6	0	0	0	111.7	R459	R459-H594 PolarHBondContact NH1-ND1 2.96Å; R459-H594 PolarHBondContact NH1-O 3.37Å
595	G	91.9	Very high	94.4	Very high	2 Å²	2	46 Å²	46	2%	0.021	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-4.5	-177.5	0	0	0	0	0	114.1	D445 T593	D445-G595 PolarHBondContact N-O 3.26Å; D445-G595 WeakPolarHBondContact OD2-CA 3.18Å; T593-G595 PolarHBondContact O-N 2.87Å
596	V	95.4	Very high	94.6	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-96.5	130.2	168	178.8	0	0	0	0	109.5	A442 V456 I460 T593 G598 T601	A442-V596 HydrophobicContact CB-CG1 3.95Å; V456-V596 HydrophobicContact CG1-CG2 3.54Å; I460-V596 HydrophobicContact CD1-CG2 3.67Å; T593-V596 WeakPolarHBondContact O-CB 3.35Å; T593-V596 PolarHBondContact O-N 3.27Å; T593-V596 VanDerWaalsContact O-N 3.11Å; V596-G598 PolarHBondContact O-N 3.26Å; V596-T601 WeakPolarHBondContact CG1-OG1 3.49Å
597	N	94.6	Very high	94.7	Very high	44 Å²	44	44.9 Å²	44.9	24%	0.235	25%	0.245	C	C	.	.			trans	-77.1	87.9	170.9	-170	-21.7	0	0	0	110.3	H443 D445 S599 R600 T601	H443-N597 HydrophobicContact CB-CB 4.32Å; H443-N597 PolarHBondContact O-N 3.47Å; D445-N597 VanDerWaalsContact OD1-CA 3.27Å; D445-N597 WeakPolarHBondContact OD1-CA 3.4Å; D445-N597 VanDerWaalsContact OD1-CB 3.27Å; D445-N597 WeakPolarHBondContact OD1-CB 3.5Å; D445-N597 PolarHBondContact OD1-N 3.38Å; N597-S599 PolarHBondContact O-N 3.27Å; N597-S599 VanDerWaalsContact O-N 3.07Å; N597-S599 PolarHBondContact OD1-N 3.17Å; N597-S599 PolarHBondContact OD1-OG 3.12Å; N597-R600 PolarHBondContact O-N 3.34Å; N597-R600 VanDerWaalsContact O-N 3.14Å; N597-T601 PolarHBondContact O-N 3.06Å; N597-T601 PolarHBondContact O-OG1 3.49Å
598	G	93.5	Very high	94.7	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.1	-179.2	0	0	0	0	0	114.7	M591 V596 R600	M591-G598 VanDerWaalsContact CE-O 3.26Å; M591-G598 WeakPolarHBondContact CE-O 3.32Å; V596-G598 PolarHBondContact O-N 3.26Å; G598-R600 VanDerWaalsContact C-N 3.3Å; G598-R600 PolarHBondContact O-N 2.92Å
599	S	93.6	Very high	94.8	Very high	106 Å²	106	39.2 Å²	39.2	74%	0.741	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.7	-179.9	70.4	0	0	0	0	114.2	N597	N597-S599 PolarHBondContact O-N 3.27Å; N597-S599 VanDerWaalsContact O-N 3.07Å; N597-S599 PolarHBondContact OD1-N 3.17Å; N597-S599 PolarHBondContact OD1-OG 3.12Å
600	R	92.6	Very high	94.8	Very high	129 Å²	129	39.5 Å²	39.5	49%	0.487	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-5.2	-178.4	-62.6	-175.9	70.8	-162.4	-0.2	113.2	H443 E447 N597 G598	H443-R600 HydrophobicContact CB-CB 4.08Å; H443-R600 PolarHBondContact CD2-O 3.4Å; E447-R600 IonicContact OE1-NH1 3.1Å; N597-R600 PolarHBondContact O-N 3.34Å; N597-R600 VanDerWaalsContact O-N 3.14Å; G598-R600 VanDerWaalsContact C-N 3.3Å; G598-R600 PolarHBondContact O-N 2.92Å
601	T	94.6	Very high	94.8	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.043	24%	0.244	C	C	.	.			trans	-68.9	133.4	179.1	-65.3	0	0	0	0	110.9	I440 T441 A442 M587 V590 M591 V596 N597	I440-T601 HydrophobicContact CG2-CG2 3.6Å; T441-T601 WeakPolarHBondContact O-CA 3.33Å; A442-T601 HydrophobicContact CB-CG2 4.4Å; M587-T601 HydrophobicContact CE-CG2 4.48Å; M587-T601 VanDerWaalsContact CE-O 3.28Å; M587-T601 WeakPolarHBondContact CE-O 3.35Å; V590-T601 HydrophobicContact CG1-CG2 4.47Å; M591-T601 HydrophobicContact CG-CG2 4.02Å; V596-T601 WeakPolarHBondContact CG1-OG1 3.49Å; N597-T601 PolarHBondContact O-N 3.06Å; N597-T601 PolarHBondContact O-OG1 3.49Å
602	T	95.3	Very high	94.9	Very high	77 Å²	77	45.3 Å²	45.3	47%	0.472	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.7	-180	61.7	0	0	0	0	111.1	I440 T441	I440-T602 CarbonylContact C-O 3.52Å; I440-T602 VanDerWaalsContact CA-O 3.31Å; I440-T602 WeakPolarHBondContact CA-O 3.25Å; I440-T602 WeakPolarHBondContact CG2-O 3.06Å; T441-T602 PolarHBondContact N-O 3.15Å; T441-T602 PolarHBondContact O-N 2.84Å
603	S	94.9	Very high	94.9	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.2	175.3	178.8	0	0	0	0	109.9	M587 N605 T621	M587-S603 VanDerWaalsContact SD-CB 3.57Å; S603-N605 PolarHBondContact OG-N 3.37Å; S603-T621 WeakPolarHBondContact O-CG2 3.25Å
604	N	94.1	Very high	95	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.064	24%	0.241	C	C	.	.	S	Bend	trans	-82.5	-14.4	175.7	74.6	-20.3	0	0	0	112.7	R424 I435 T437 P438 I439 T606	R424-N604 PolarHBondContact NH2-O 3.02Å; I435-N604 WeakPolarHBondContact CD1-OD1 3.46Å; T437-N604 PolarHBondContact O-ND2 3.49Å; P438-N604 WeakPolarHBondContact CA-OD1 3.37Å; I439-N604 PolarHBondContact N-ND2 2.91Å; I439-N604 PolarHBondContact N-OD1 3.26Å; I439-N604 PolarHBondContact O-N 3.07Å; I439-N604 VanDerWaalsContact O-N 3.15Å; I439-N604 PolarHBondContact O-OD1 3.05Å; N604-T606 PolarHBondContact O-N 3.18Å
605	N	95.6	Very high	95.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.011	22%	0.22	C	C	.	.			trans	-86.1	109.1	177.2	-171	-16.3	0	0	0	110.2	K433 I435 D585 S603 Y607 E608 V609	K433-N605 PolarHBondContact O-ND2 3.09Å; K433-N605 VanDerWaalsContact O-ND2 3.08Å; I435-N605 HydrophobicContact CD1-CB 3.8Å; I435-N605 HydrophobicContact CG1-CB 4.3Å; D585-N605 PolarHBondContact OD1-ND2 3.19Å; S603-N605 PolarHBondContact OG-N 3.37Å; N605-Y607 VanDerWaalsContact C-N 3.28Å; N605-Y607 PolarHBondContact O-N 3.07Å; N605-Y607 PolarHBondContact OD1-N 3.11Å; N605-E608 HydrophobicContact CB-CB 4.31Å; N605-E608 PolarHBondContact O-N 3.02Å; N605-V609 WeakPolarHBondContact O-CG2 3.07Å; N605-V609 PolarHBondContact O-N 3.5Å
606	T	95.6	Very high	95.4	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-32.2	-176	52.4	0	0	0	0	112.9	N604 V609 E610 T621 I622	N604-T606 PolarHBondContact O-N 3.18Å; T606-V609 PolarHBondContact O-N 3.3Å; T606-E610 WeakPolarHBondContact O-CB 3.26Å; T606-E610 PolarHBondContact O-N 2.95Å; T606-T621 HydrophobicContact CG2-CG2 3.99Å; T606-I622 HydrophobicContact CG2-CG1 3.62Å
607	Y	95.4	Very high	95.4	Very high	57 Å²	57	47.7 Å²	47.7	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-39.4	178.8	-179.5	-104.8	0	0	0	112.2	K433 N605 E610 R611	K433-Y607 HydrophobicContact CB-CD1 4.11Å; K433-Y607 HydrophobicContact CB-CE1 4.26Å; K433-Y607 HydrophobicContact CB-CG 4.33Å; K433-Y607 HydrophobicContact CD-CE1 4.21Å; K433-Y607 HydrophobicContact CD-CE2 4.04Å; K433-Y607 HydrophobicContact CG-CD1 4.23Å; K433-Y607 HydrophobicContact CG-CD2 4.04Å; K433-Y607 HydrophobicContact CG-CE1 4.18Å; K433-Y607 HydrophobicContact CG-CE2 3.99Å; K433-Y607 HydrophobicContact CG-CG 4.14Å; N605-Y607 VanDerWaalsContact C-N 3.28Å; N605-Y607 PolarHBondContact O-N 3.07Å; N605-Y607 PolarHBondContact OD1-N 3.11Å; Y607-E610 WeakPolarHBondContact O-CB 3.41Å; Y607-E610 PolarHBondContact O-N 3.35Å; Y607-R611 HydrophobicContact CE1-CG 4.4Å; Y607-R611 WeakPolarHBondContact O-CG 3.38Å; Y607-R611 PolarHBondContact O-N 3.46Å; Y607-R611 VanDerWaalsContact O-N 3.08Å
608	E	94.9	Very high	95.5	Very high	19 Å²	19	45.6 Å²	45.6	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-72	-33.7	177.1	-79.5	-64.7	121	0	0	112.4	D585 N605 R611 T612	D585-E608 VanDerWaalsContact O-CG 3.24Å; D585-E608 WeakPolarHBondContact O-CG 3.37Å; D585-E608 VanDerWaalsContact O-OE2 3.07Å; N605-E608 HydrophobicContact CB-CB 4.31Å; N605-E608 PolarHBondContact O-N 3.02Å; E608-R611 PolarHBondContact O-N 3.34Å; E608-R611 IonicContact OE1-CZ 3.77Å; E608-R611 IonicContact OE1-NH1 2.92Å; E608-R611 PolarHBondContact OE1-NH1 2.89Å; E608-T612 VanDerWaalsContact O-CB 3.3Å; E608-T612 WeakPolarHBondContact O-CB 3.42Å; E608-T612 PolarHBondContact O-N 3.44Å; E608-T612 VanDerWaalsContact O-N 3.09Å; E608-T612 PolarHBondContact O-OG1 3.28Å
609	V	96.4	Very high	95.7	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-45.1	171.3	176.8	0	0	0	0	110.5	M587 N605 T606 R611 T612 L613 G614 A617 A618 T621	M587-V609 HydrophobicContact SD-CG2 3.96Å; N605-V609 WeakPolarHBondContact O-CG2 3.07Å; N605-V609 PolarHBondContact O-N 3.5Å; T606-V609 PolarHBondContact O-N 3.3Å; V609-R611 PolarHBondContact O-N 3.49Å; V609-T612 PolarHBondContact O-N 3.39Å; V609-L613 HydrophobicContact CG1-CB 4.41Å; V609-L613 HydrophobicContact CG1-CD1 4.32Å; V609-L613 PolarHBondContact O-N 2.99Å; V609-G614 PolarHBondContact O-N 3.43Å; V609-A617 HydrophobicContact CG1-CB 3.84Å; V609-A618 HydrophobicContact CB-CB 4.28Å; V609-A618 HydrophobicContact CG1-CB 4Å; V609-T621 HydrophobicContact CG2-CG2 4.38Å
610	E	96.8	Very high	95.9	Very high	34 Å²	34	44.2 Å²	44.2	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-47.5	176.5	-174.1	-178	-167.3	0	0	111.8	T606 Y607 T612 G614 I615 A618 E654 I655	T606-E610 WeakPolarHBondContact O-CB 3.26Å; T606-E610 PolarHBondContact O-N 2.95Å; Y607-E610 WeakPolarHBondContact O-CB 3.41Å; Y607-E610 PolarHBondContact O-N 3.35Å; E610-T612 VanDerWaalsContact C-N 3.28Å; E610-T612 PolarHBondContact O-N 3.49Å; E610-G614 VanDerWaalsContact O-CA 3.23Å; E610-G614 WeakPolarHBondContact O-CA 3.23Å; E610-G614 PolarHBondContact O-N 2.89Å; E610-I615 HydrophobicContact CG-CD1 4.5Å; E610-A618 HydrophobicContact CB-CB 3.99Å; E610-E654 VanDerWaalsContact OE1-CA 3.27Å; E610-E654 WeakPolarHBondContact OE1-CA 3.45Å; E610-I655 HydrophobicContact CB-CD1 3.86Å; E610-I655 HydrophobicContact CB-CG1 4.49Å; E610-I655 HydrophobicContact CG-CD1 4.21Å; E610-I655 HydrophobicContact CG-CG1 4.3Å; E610-I655 PolarHBondContact OE1-N 3.04Å
611	R	95.6	Very high	96.1	Very high	132 Å²	132	39 Å²	39	50%	0.498	21%	0.207	S	C	.	.	H	α-helix	trans	-69.2	-22.6	-179.3	-71.9	-178.7	69.6	-149.4	4.1	114.2	R588 Y607 E608 V609	R588-R611 PolarHBondContact NH2-O 3.36Å; Y607-R611 HydrophobicContact CE1-CG 4.4Å; Y607-R611 WeakPolarHBondContact O-CG 3.38Å; Y607-R611 PolarHBondContact O-N 3.46Å; Y607-R611 VanDerWaalsContact O-N 3.08Å; E608-R611 PolarHBondContact O-N 3.34Å; E608-R611 IonicContact OE1-CZ 3.77Å; E608-R611 IonicContact OE1-NH1 2.92Å; E608-R611 PolarHBondContact OE1-NH1 2.89Å; V609-R611 PolarHBondContact O-N 3.49Å
612	T	95.9	Very high	96.2	Very high	35 Å²	35	38.7 Å²	38.7	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-101.6	-42.9	-175.2	-54.5	0	0	0	0	112.2	R588 M591 E608 V609 E610	R588-T612 HydrophobicContact CB-CG2 4.06Å; R588-T612 HydrophobicContact CG-CG2 4.46Å; M591-T612 HydrophobicContact SD-CG2 3.77Å; E608-T612 VanDerWaalsContact O-CB 3.3Å; E608-T612 WeakPolarHBondContact O-CB 3.42Å; E608-T612 PolarHBondContact O-N 3.44Å; E608-T612 VanDerWaalsContact O-N 3.09Å; E608-T612 PolarHBondContact O-OG1 3.28Å; V609-T612 PolarHBondContact O-N 3.39Å; E610-T612 VanDerWaalsContact C-N 3.28Å; E610-T612 PolarHBondContact O-N 3.49Å
613	L	96.3	Very high	96.3	Very high	89 Å²	89	36 Å²	36	47%	0.466	19%	0.187	S	C	.	.	H	α-helix	trans	-117.3	-12	-171.1	-61.3	-179.4	0	0	0	113.8	M587 M591 V609 A617	M587-L613 HydrophobicContact CE-CD1 3.9Å; M591-L613 HydrophobicContact CE-CD2 3.88Å; M591-L613 HydrophobicContact SD-CD2 4.46Å; V609-L613 HydrophobicContact CG1-CB 4.41Å; V609-L613 HydrophobicContact CG1-CD1 4.32Å; V609-L613 PolarHBondContact O-N 2.99Å; L613-A617 HydrophobicContact CB-CB 3.47Å; L613-A617 VanDerWaalsContact CB-CB 3.47Å; L613-A617 HydrophobicContact CD1-CB 4.16Å; L613-A617 HydrophobicContact CG-CB 4.47Å
614	G	96.9	Very high	96.3	Very high	29 Å²	29	40.4 Å²	40.4	30%	0.299	21%	0.21	S	C	.	.			trans	92.3	-177.9	-179.7	0	0	0	0	0	114.4	V609 E610 A618	V609-G614 PolarHBondContact O-N 3.43Å; E610-G614 VanDerWaalsContact O-CA 3.23Å; E610-G614 WeakPolarHBondContact O-CA 3.23Å; E610-G614 PolarHBondContact O-N 2.89Å; G614-A618 PolarHBondContact O-N 3.24Å
615	I	97.5	Very high	96.3	Very high	46 Å²	46	41.6 Å²	41.6	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-38.6	-165.3	-166	61.5	0	0	0	114	E610 A618 R619 I655	E610-I615 HydrophobicContact CG-CD1 4.5Å; I615-A618 PolarHBondContact O-N 2.93Å; I615-R619 WeakPolarHBondContact O-CB 3.08Å; I615-R619 PolarHBondContact O-N 3.44Å; I615-I655 HydrophobicContact CD1-CG1 3.63Å
616	E	97.3	Very high	96.2	Very high	118 Å²	118	41.5 Å²	41.5	55%	0.551	22%	0.215	S	C	*	.	H	α-helix	trans	-69	-36.1	-179.3	-77.6	-61.6	155.4	0	0	113.1	A618 R619 S620	E616-A618 VanDerWaalsContact C-N 3.33Å; E616-R619 WeakPolarHBondContact OE2-CD 3.46Å; E616-R619 IonicContact OE2-NH1 2.61Å; E616-S620 PolarHBondContact O-N 3.46Å; E616-S620 VanDerWaalsContact O-N 3.08Å; E616-S620 PolarHBondContact O-OG 3.24Å
617	A	96.8	Very high	96.1	Very high	30 Å²	30	44.6 Å²	44.6	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-43.7	173.5	0	0	0	0	0	110.1	V609 L613 S620 T621	V609-A617 HydrophobicContact CG1-CB 3.84Å; L613-A617 HydrophobicContact CB-CB 3.47Å; L613-A617 VanDerWaalsContact CB-CB 3.47Å; L613-A617 HydrophobicContact CD1-CB 4.16Å; L613-A617 HydrophobicContact CG-CB 4.47Å; A617-S620 WeakPolarHBondContact O-CB 3.37Å; A617-S620 PolarHBondContact O-N 3.45Å; A617-T621 PolarHBondContact O-N 3.41Å; A617-T621 PolarHBondContact O-OG1 2.96Å; A617-T621 VanDerWaalsContact O-OG1 3.11Å
618	A	97.1	Very high	95.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-35.8	-179.7	0	0	0	0	0	113	V609 E610 G614 I615 E616 S620 T621 I622 I655	V609-A618 HydrophobicContact CB-CB 4.28Å; V609-A618 HydrophobicContact CG1-CB 4Å; E610-A618 HydrophobicContact CB-CB 3.99Å; G614-A618 PolarHBondContact O-N 3.24Å; I615-A618 PolarHBondContact O-N 2.93Å; E616-A618 VanDerWaalsContact C-N 3.33Å; A618-S620 VanDerWaalsContact C-N 3.31Å; A618-S620 PolarHBondContact O-N 3.32Å; A618-T621 WeakPolarHBondContact O-CB 3.24Å; A618-T621 PolarHBondContact O-N 2.93Å; A618-I622 WeakPolarHBondContact O-CG1 3.34Å; A618-I622 PolarHBondContact O-N 3.05Å; A618-I655 HydrophobicContact CB-CD1 3.4Å; A618-I655 HydrophobicContact CB-CG1 4.33Å
619	R	97.2	Very high	95.6	Very high	43 Å²	43	45.7 Å²	45.7	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-54.6	-47.7	168.4	179.7	-161.7	172.9	-121.1	1.1	111.1	I615 E616 T621 I622 I623 A646 D647	I615-R619 WeakPolarHBondContact O-CB 3.08Å; I615-R619 PolarHBondContact O-N 3.44Å; E616-R619 WeakPolarHBondContact OE2-CD 3.46Å; E616-R619 IonicContact OE2-NH1 2.61Å; R619-T621 VanDerWaalsContact C-N 3.32Å; R619-T621 PolarHBondContact O-N 3.26Å; R619-I622 PolarHBondContact O-N 3.14Å; R619-I623 WeakPolarHBondContact O-CG1 3.33Å; R619-I623 PolarHBondContact O-N 2.93Å; R619-A646 HydrophobicContact CG-CB 3.94Å; R619-D647 IonicContact CZ-OD1 2.99Å; R619-D647 IonicContact CZ-OD2 3.23Å; R619-D647 IonicContact NE-OD1 3.84Å; R619-D647 PolarHBondContact NE-OD1 3.22Å; R619-D647 IonicContact NE-OD2 2.78Å; R619-D647 VanDerWaalsContact NH2-CG 3.28Å; R619-D647 IonicContact NH2-OD1 2.77Å; R619-D647 PolarHBondContact NH2-OD1 3.42Å; R619-D647 IonicContact NH2-OD2 2.83Å; R619-D647 PolarHBondContact NH2-OD2 2.98Å
620	S	96.9	Very high	95.2	Very high	53 Å²	53	45.8 Å²	45.8	37%	0.371	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-38.2	177.2	-59.2	0	0	0	0	112	E616 A617 A618 I623 N624	E616-S620 PolarHBondContact O-N 3.46Å; E616-S620 VanDerWaalsContact O-N 3.08Å; E616-S620 PolarHBondContact O-OG 3.24Å; A617-S620 WeakPolarHBondContact O-CB 3.37Å; A617-S620 PolarHBondContact O-N 3.45Å; A618-S620 VanDerWaalsContact C-N 3.31Å; A618-S620 PolarHBondContact O-N 3.32Å; S620-I623 PolarHBondContact O-N 3.31Å; S620-N624 WeakPolarHBondContact O-CB 2.98Å; S620-N624 VanDerWaalsContact O-CG 3.25Å; S620-N624 PolarHBondContact O-N 2.99Å; S620-N624 PolarHBondContact O-ND2 2.98Å
621	T	96.8	Very high	94.8	Very high	21 Å²	21	48.2 Å²	48.2	13%	0.129	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-41.9	174.2	-58.5	0	0	0	0	112.2	S603 T606 V609 A617 A618 R619 I623 N624 E625	S603-T621 WeakPolarHBondContact O-CG2 3.25Å; T606-T621 HydrophobicContact CG2-CG2 3.99Å; V609-T621 HydrophobicContact CG2-CG2 4.38Å; A617-T621 PolarHBondContact O-N 3.41Å; A617-T621 PolarHBondContact O-OG1 2.96Å; A617-T621 VanDerWaalsContact O-OG1 3.11Å; A618-T621 WeakPolarHBondContact O-CB 3.24Å; A618-T621 PolarHBondContact O-N 2.93Å; R619-T621 VanDerWaalsContact C-N 3.32Å; R619-T621 PolarHBondContact O-N 3.26Å; T621-I623 VanDerWaalsContact C-N 3.33Å; T621-I623 PolarHBondContact O-N 3.37Å; T621-N624 PolarHBondContact O-N 3.02Å; T621-E625 HydrophobicContact CG2-CG 4Å; T621-E625 VanDerWaalsContact O-CB 3.29Å; T621-E625 WeakPolarHBondContact O-CB 3.44Å; T621-E625 WeakPolarHBondContact O-CG 3.42Å; T621-E625 PolarHBondContact O-N 3.27Å
622	I	97.1	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-46.9	175.9	-67.4	164.8	0	0	0	110.6	I428 T606 A618 R619 I626 A646 M649 I655	I428-I622 HydrophobicContact CG2-CG1 4.46Å; I428-I622 HydrophobicContact CG2-CG2 4.08Å; T606-I622 HydrophobicContact CG2-CG1 3.62Å; A618-I622 WeakPolarHBondContact O-CG1 3.34Å; A618-I622 PolarHBondContact O-N 3.05Å; R619-I622 PolarHBondContact O-N 3.14Å; I622-I626 HydrophobicContact CG2-CD1 3.8Å; I622-I626 WeakPolarHBondContact O-CB 3.4Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 3.17Å; I622-I626 VanDerWaalsContact O-N 3.1Å; I622-A646 HydrophobicContact CB-CB 4.11Å; I622-A646 HydrophobicContact CG2-CB 3.86Å; I622-M649 HydrophobicContact CD1-CB 4.37Å; I622-M649 HydrophobicContact CD1-CE 4.11Å; I622-M649 HydrophobicContact CD1-SD 4.35Å; I622-M649 HydrophobicContact CG2-SD 4.42Å; I622-I655 HydrophobicContact CD1-CG2 4.13Å
623	I	96.4	Very high	93.5	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-51	179	-64.7	164.6	0	0	0	110.2	R619 S620 T621 Q627 V642 M643 A646	R619-I623 WeakPolarHBondContact O-CG1 3.33Å; R619-I623 PolarHBondContact O-N 2.93Å; S620-I623 PolarHBondContact O-N 3.31Å; T621-I623 VanDerWaalsContact C-N 3.33Å; T621-I623 PolarHBondContact O-N 3.37Å; I623-Q627 VanDerWaalsContact O-CB 3.3Å; I623-Q627 WeakPolarHBondContact O-CB 3.49Å; I623-Q627 PolarHBondContact O-N 3.13Å; I623-V642 HydrophobicContact CG2-CG2 4.01Å; I623-M643 HydrophobicContact CD1-CG 3.91Å; I623-M643 HydrophobicContact CG1-CG 4.45Å; I623-A646 HydrophobicContact CD1-CB 4.13Å; I623-A646 HydrophobicContact CG1-CB 3.64Å
624	N	95.6	Very high	92.8	Very high	98 Å²	98	44 Å²	44	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-43.2	-176.8	-69.5	-25.4	0	0	0	112.4	S620 T621 Q627 Y628	S620-N624 WeakPolarHBondContact O-CB 2.98Å; S620-N624 VanDerWaalsContact O-CG 3.25Å; S620-N624 PolarHBondContact O-N 2.99Å; S620-N624 PolarHBondContact O-ND2 2.98Å; T621-N624 PolarHBondContact O-N 3.02Å; N624-Q627 PolarHBondContact O-N 2.86Å; N624-Y628 WeakPolarHBondContact O-CB 3.41Å; N624-Y628 PolarHBondContact O-N 3.27Å
625	E	94.6	Very high	92.2	Very high	36 Å²	36	43.6 Å²	43.6	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-177.6	-78.5	-68.9	140.5	0	0	112.6	R424 I428 T621 T629	R424-E625 IonicContact CZ-OE2 3.82Å; R424-E625 IonicContact NE-OE2 2.63Å; R424-E625 PolarHBondContact NE-OE2 2.66Å; R424-E625 IonicContact NH2-OE2 3.15Å; R424-E625 PolarHBondContact NH2-OE2 3.4Å; I428-E625 HydrophobicContact CD1-CB 3.7Å; I428-E625 HydrophobicContact CG1-CB 4.41Å; T621-E625 HydrophobicContact CG2-CG 4Å; T621-E625 VanDerWaalsContact O-CB 3.29Å; T621-E625 WeakPolarHBondContact O-CB 3.44Å; T621-E625 WeakPolarHBondContact O-CG 3.42Å; T621-E625 PolarHBondContact O-N 3.27Å; E625-T629 WeakPolarHBondContact O-CB 3.31Å; E625-T629 PolarHBondContact O-N 3.08Å; E625-T629 PolarHBondContact O-OG1 2.97Å
626	I	93.4	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-46.5	174.7	-66.4	175.1	0	0	0	109.5	I425 I428 I622 Y628 T629 M630 V642 L645	I425-I626 HydrophobicContact CD1-CB 4.38Å; I425-I626 HydrophobicContact CD1-CG1 4.28Å; I425-I626 HydrophobicContact CD1-CG2 4.07Å; I428-I626 HydrophobicContact CD1-CG1 4.1Å; I428-I626 HydrophobicContact CG2-CD1 4.05Å; I428-I626 HydrophobicContact CG2-CG1 3.91Å; I622-I626 HydrophobicContact CG2-CD1 3.8Å; I622-I626 WeakPolarHBondContact O-CB 3.4Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.44Å; I622-I626 PolarHBondContact O-N 3.17Å; I622-I626 VanDerWaalsContact O-N 3.1Å; I626-Y628 PolarHBondContact O-N 3.34Å; I626-T629 PolarHBondContact O-N 3.24Å; I626-M630 HydrophobicContact CG2-CE 4.44Å; I626-M630 HydrophobicContact CG2-CG 4.27Å; I626-M630 WeakPolarHBondContact O-CB 3.18Å; I626-M630 WeakPolarHBondContact O-CG 3.45Å; I626-M630 PolarHBondContact O-N 3.13Å; I626-V642 HydrophobicContact CB-CG1 4.34Å; I626-V642 HydrophobicContact CG2-CB 4.49Å; I626-V642 HydrophobicContact CG2-CG1 3.6Å; I626-L645 HydrophobicContact CD1-CD2 3.79Å
627	Q	92.2	Very high	91.4	Very high	73 Å²	73	42.6 Å²	42.6	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-42.7	179.5	-170.4	170	2.2	0	0	112	I623 N624 T629 M630 V631	I623-Q627 VanDerWaalsContact O-CB 3.3Å; I623-Q627 WeakPolarHBondContact O-CB 3.49Å; I623-Q627 PolarHBondContact O-N 3.13Å; N624-Q627 PolarHBondContact O-N 2.86Å; Q627-T629 PolarHBondContact O-N 2.79Å; Q627-M630 PolarHBondContact O-N 2.89Å; Q627-V631 HydrophobicContact CG-CG2 4.27Å; Q627-V631 WeakPolarHBondContact O-CB 3.41Å; Q627-V631 VanDerWaalsContact O-CG2 3.24Å; Q627-V631 WeakPolarHBondContact O-CG2 3.42Å; Q627-V631 PolarHBondContact O-N 3.43Å
628	Y	91.3	Very high	91.2	Very high	98 Å²	98	42 Å²	42	38%	0.384	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-47.3	174.9	177.2	-106.3	0	0	0	111.6	L420 N624 I626 M630 V631 N632	L420-Y628 HydrophobicContact CD2-CD1 4.39Å; L420-Y628 HydrophobicContact CD2-CE1 4.07Å; N624-Y628 WeakPolarHBondContact O-CB 3.41Å; N624-Y628 PolarHBondContact O-N 3.27Å; I626-Y628 PolarHBondContact O-N 3.34Å; Y628-M630 VanDerWaalsContact C-N 3.34Å; Y628-M630 PolarHBondContact O-N 3.3Å; Y628-V631 PolarHBondContact O-N 3.03Å; Y628-N632 WeakPolarHBondContact CE1-ND2 3.15Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.37Å; Y628-N632 VanDerWaalsContact O-CG 3.27Å; Y628-N632 PolarHBondContact O-N 2.84Å; Y628-N632 VanDerWaalsContact O-N 3.14Å; Y628-N632 PolarHBondContact O-ND2 3.03Å
629	T	89.6	Confident	91.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-40.8	178.9	-55.1	0	0	0	0	111.7	M403 L420 R424 I425 E625 I626 Q627 H633	M403-T629 HydrophobicContact CE-CG2 4.37Å; L420-T629 HydrophobicContact CD2-CG2 4.4Å; R424-T629 HydrophobicContact CB-CG2 4.17Å; R424-T629 HydrophobicContact CG-CG2 4.27Å; I425-T629 HydrophobicContact CD1-CG2 3.83Å; I425-T629 HydrophobicContact CG1-CG2 4.01Å; E625-T629 WeakPolarHBondContact O-CB 3.31Å; E625-T629 PolarHBondContact O-N 3.08Å; E625-T629 PolarHBondContact O-OG1 2.97Å; I626-T629 PolarHBondContact O-N 3.24Å; Q627-T629 PolarHBondContact O-N 2.79Å; T629-H633 PolarHBondContact O-CD2 2.83Å
630	M	87.8	Confident	91.1	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-45.5	179.7	-67.3	-74.7	178.4	0	0	112.3	I396 P399 M403 I425 I626 Q627 Y628 N632 H633 M635 I637	I396-M630 HydrophobicContact CG2-CE 4.22Å; P399-M630 HydrophobicContact CB-CE 4.39Å; P399-M630 HydrophobicContact CB-SD 3.96Å; M403-M630 HydrophobicContact CE-CE 3.66Å; M403-M630 HydrophobicContact CE-CG 4.23Å; M403-M630 HydrophobicContact CE-SD 3.2Å; M403-M630 WeakPolarHBondContact CE-SD 3.47Å; I425-M630 HydrophobicContact CD1-CE 4.02Å; I425-M630 HydrophobicContact CG1-CE 4.21Å; I626-M630 HydrophobicContact CG2-CE 4.44Å; I626-M630 HydrophobicContact CG2-CG 4.27Å; I626-M630 WeakPolarHBondContact O-CB 3.18Å; I626-M630 WeakPolarHBondContact O-CG 3.45Å; I626-M630 PolarHBondContact O-N 3.13Å; Q627-M630 PolarHBondContact O-N 2.89Å; Y628-M630 VanDerWaalsContact C-N 3.34Å; Y628-M630 PolarHBondContact O-N 3.3Å; M630-N632 PolarHBondContact O-N 2.91Å; M630-H633 PolarHBondContact O-N 3.06Å; M630-H633 VanDerWaalsContact O-N 3.16Å; M630-M635 CarbonylContact C-O 3.51Å; M630-M635 PolarHBondContact O-N 3.25Å; M630-M635 HydrophobicContact SD-CE 3.57Å; M630-M635 VanDerWaalsContact SD-CE 3.57Å; M630-I637 HydrophobicContact CE-CD1 3.61Å; M630-I637 HydrophobicContact CG-CD1 3.78Å; M630-I637 HydrophobicContact CG-CG1 4.48Å; M630-I637 HydrophobicContact SD-CD1 3.51Å; M630-I637 VanDerWaalsContact SD-CD1 3.51Å; M630-I637 HydrophobicContact SD-CG1 4.37Å
631	V	88.3	Confident	91.1	Very high	86 Å²	86	42.4 Å²	42.4	52%	0.521	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-38.3	-177.8	170.2	0	0	0	0	111.8	Q627 Y628 H633 G634	Q627-V631 HydrophobicContact CG-CG2 4.27Å; Q627-V631 WeakPolarHBondContact O-CB 3.41Å; Q627-V631 VanDerWaalsContact O-CG2 3.24Å; Q627-V631 WeakPolarHBondContact O-CG2 3.42Å; Q627-V631 PolarHBondContact O-N 3.43Å; Y628-V631 PolarHBondContact O-N 3.03Å; V631-H633 PolarHBondContact O-N 2.88Å; V631-G634 WeakPolarHBondContact O-CA 3.49Å; V631-G634 PolarHBondContact O-N 2.88Å
632	N	83.9	Confident	91	Very high	57 Å²	57	41.6 Å²	41.6	31%	0.305	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-26	177.5	-73	-21	0	0	0	113.2	Y628 M630 G634	Y628-N632 WeakPolarHBondContact CE1-ND2 3.15Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.37Å; Y628-N632 VanDerWaalsContact O-CG 3.27Å; Y628-N632 PolarHBondContact O-N 2.84Å; Y628-N632 VanDerWaalsContact O-N 3.14Å; Y628-N632 PolarHBondContact O-ND2 3.03Å; M630-N632 PolarHBondContact O-N 2.91Å; N632-G634 VanDerWaalsContact C-N 3.3Å
633	H	80.6	Confident	91.1	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.171	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	11.3	174	-75.4	-93.9	0	0	0	112.9	M403 G421 T629 M630 V631 M635	M403-H633 HydrophobicContact CG-CB 4.38Å; G421-H633 PolarHBondContact N-NE2 2.91Å; T629-H633 PolarHBondContact O-CD2 2.83Å; M630-H633 PolarHBondContact O-N 3.06Å; M630-H633 VanDerWaalsContact O-N 3.16Å; V631-H633 PolarHBondContact O-N 2.88Å; H633-M635 HydrophobicContact CB-CE 4.07Å; H633-M635 HydrophobicContact CB-CG 4.44Å; H633-M635 PolarHBondContact O-N 3.26Å
634	G	80.9	Confident	91.1	Very high	73 Å²	73	42.2 Å²	42.2	75%	0.753	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	16.9	179.4	0	0	0	0	0	113.9	V631 N632	V631-G634 WeakPolarHBondContact O-CA 3.49Å; V631-G634 PolarHBondContact O-N 2.88Å; N632-G634 VanDerWaalsContact C-N 3.3Å
635	M	84.9	Confident	91.2	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.103	21%	0.21	C	C	.	.			trans	-101.6	139.8	-179.3	-57.6	-172.1	-55.6	0	0	110.2	P399 Q402 M403 M630 H633	P399-M635 HydrophobicContact CB-CE 3.62Å; P399-M635 HydrophobicContact CB-SD 3.56Å; P399-M635 VanDerWaalsContact CB-SD 3.56Å; P399-M635 VanDerWaalsContact O-SD 3.37Å; Q402-M635 HydrophobicContact CB-SD 4.01Å; M403-M635 HydrophobicContact CE-CE 3.12Å; M403-M635 HydrophobicContact CG-CE 3.19Å; M403-M635 HydrophobicContact CG-SD 4.16Å; M403-M635 HydrophobicContact SD-CE 3.95Å; M630-M635 CarbonylContact C-O 3.51Å; M630-M635 PolarHBondContact O-N 3.25Å; M630-M635 HydrophobicContact SD-CE 3.57Å; M630-M635 VanDerWaalsContact SD-CE 3.57Å; H633-M635 HydrophobicContact CB-CE 4.07Å; H633-M635 HydrophobicContact CB-CG 4.44Å; H633-M635 PolarHBondContact O-N 3.26Å
636	S	86.1	Confident	91.3	Very high	117 Å²	117	35.9 Å²	35.9	82%	0.818	20%	0.202	S	C	*	.			trans	-118.2	121.7	178.6	58.5	0	0	0	0	109.6
637	I	91.3	Very high	91.5	Very high	26 Å²	26	36.7 Å²	36.7	13%	0.133	21%	0.207	C	C	.	.			trans	-115.6	139.4	169.9	-55.5	176.5	0	0	0	106.6	S395 I396 P399 M630 R639 H641	S395-I637 WeakPolarHBondContact O-CD1 3.14Å; I396-I637 HydrophobicContact CG1-CD1 4.41Å; P399-I637 HydrophobicContact CG-CD1 4.06Å; P399-I637 HydrophobicContact CG-CG1 4.32Å; M630-I637 HydrophobicContact CE-CD1 3.61Å; M630-I637 HydrophobicContact CG-CD1 3.78Å; M630-I637 HydrophobicContact CG-CG1 4.48Å; M630-I637 HydrophobicContact SD-CD1 3.51Å; M630-I637 VanDerWaalsContact SD-CD1 3.51Å; M630-I637 HydrophobicContact SD-CG1 4.37Å; I637-R639 PolarHBondContact O-N 2.9Å; I637-H641 HydrophobicContact CG2-CB 4.03Å
638	D	94.3	Very high	91.8	Very high	18 Å²	18	33.5 Å²	33.5	10%	0.096	19%	0.192	C	C	.	.			trans	-61.4	134	172.2	-168.6	-62.3	0	0	0	110.2	P264 R640 H641	P264-D638 HydrophobicContact CB-CB 3.87Å; P264-D638 HydrophobicContact CG-CB 4.33Å; D638-R640 PolarHBondContact O-N 3.37Å; D638-R640 WeakPolarHBondContact OD1-CB 3.28Å; D638-R640 VanDerWaalsContact OD1-CG 3.28Å; D638-R640 WeakPolarHBondContact OD1-CG 3.39Å; D638-R640 IonicContact OD1-CZ 2.68Å; D638-R640 PolarHBondContact OD1-N 3.4Å; D638-R640 IonicContact OD1-NH1 3.88Å; D638-R640 PolarHBondContact OD1-NH1 3.48Å; D638-R640 IonicContact OD2-NH1 2.71Å; D638-R640 PolarHBondContact OD2-NH1 2.94Å; D638-H641 PolarHBondContact O-N 3.47Å
639	R	94.8	Very high	92	Very high	89 Å²	89	28.9 Å²	28.9	34%	0.336	17%	0.174	S	C	.	.	H	α-helix	trans	-52.3	-30.2	-178.9	59.4	-178.5	150.7	-175.5	-7.6	113.5	D271 E272 I637 H641 V642 M643	D271-R639 HydrophobicContact CB-CG 4.47Å; D271-R639 PolarHBondContact O-NH2 3.49Å; E272-R639 IonicContact OE1-NH2 3.99Å; E272-R639 PolarHBondContact OE1-NH2 2.83Å; I637-R639 PolarHBondContact O-N 2.9Å; R639-H641 VanDerWaalsContact C-N 3.28Å; R639-H641 PolarHBondContact O-N 3.41Å; R639-V642 WeakPolarHBondContact O-CG2 3.38Å; R639-V642 PolarHBondContact O-N 3.45Å; R639-M643 HydrophobicContact CG-SD 4.46Å; R639-M643 WeakPolarHBondContact O-CB 3.31Å; R639-M643 WeakPolarHBondContact O-CG 3.41Å; R639-M643 PolarHBondContact O-N 3.16Å
640	R	96.4	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-31.2	-176.2	-61.9	175.7	-169.3	82.9	-4	112.8	Y257 D260 L262 P264 M267 D271 D638 L644	Y257-R640 HydrophobicContact CE1-CB 4.14Å; D260-R640 VanDerWaalsContact CG-NE 3.33Å; D260-R640 IonicContact OD1-CZ 3.15Å; D260-R640 IonicContact OD1-NE 2.71Å; D260-R640 PolarHBondContact OD1-NE 3.23Å; D260-R640 IonicContact OD2-CZ 3.13Å; D260-R640 IonicContact OD2-NE 2.79Å; D260-R640 PolarHBondContact OD2-NE 3.16Å; D260-R640 IonicContact OD2-NH2 2.82Å; D260-R640 PolarHBondContact OD2-NH2 3.06Å; L262-R640 VanDerWaalsContact O-CD 3.31Å; L262-R640 WeakPolarHBondContact O-CD 3.35Å; P264-R640 HydrophobicContact CG-CB 4.06Å; M267-R640 PolarHBondContact SD-NH2 2.84Å; D271-R640 PolarHBondContact O-NH2 2.52Å; D638-R640 PolarHBondContact O-N 3.37Å; D638-R640 WeakPolarHBondContact OD1-CB 3.28Å; D638-R640 VanDerWaalsContact OD1-CG 3.28Å; D638-R640 WeakPolarHBondContact OD1-CG 3.39Å; D638-R640 IonicContact OD1-CZ 2.68Å; D638-R640 PolarHBondContact OD1-N 3.4Å; D638-R640 IonicContact OD1-NH1 3.88Å; D638-R640 PolarHBondContact OD1-NH1 3.48Å; D638-R640 IonicContact OD2-NH1 2.71Å; D638-R640 PolarHBondContact OD2-NH1 2.94Å; R640-L644 PolarHBondContact O-N 3.1Å; R640-L644 VanDerWaalsContact O-N 3.09Å
641	H	96.6	Very high	92.8	Very high	15 Å²	15	31.9 Å²	31.9	7%	0.069	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-49.4	175.6	-62.8	-60.3	0	0	0	111.5	C392 I637 D638 R639 M643 L644 L645	C392-H641 HydrophobicContact CB-CB 4.46Å; C392-H641 PolarHBondContact SG-O 3.31Å; I637-H641 HydrophobicContact CG2-CB 4.03Å; D638-H641 PolarHBondContact O-N 3.47Å; R639-H641 VanDerWaalsContact C-N 3.28Å; R639-H641 PolarHBondContact O-N 3.41Å; H641-M643 VanDerWaalsContact C-N 3.28Å; H641-M643 PolarHBondContact O-N 3.36Å; H641-L644 PolarHBondContact O-N 3.42Å; H641-L645 PolarHBondContact O-N 2.75Å; H641-L645 VanDerWaalsContact O-N 3.09Å
642	V	96.2	Very high	93.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-31.5	179.5	-63.3	0	0	0	0	112.1	I396 I623 I626 R639 L645 A646	I396-V642 HydrophobicContact CD1-CG1 4.29Å; I623-V642 HydrophobicContact CG2-CG2 4.01Å; I626-V642 HydrophobicContact CB-CG1 4.34Å; I626-V642 HydrophobicContact CG2-CB 4.49Å; I626-V642 HydrophobicContact CG2-CG1 3.6Å; R639-V642 WeakPolarHBondContact O-CG2 3.38Å; R639-V642 PolarHBondContact O-N 3.45Å; V642-L645 PolarHBondContact O-N 2.99Å; V642-A646 WeakPolarHBondContact O-CB 3.38Å; V642-A646 PolarHBondContact O-N 3.19Å
643	M	97.4	Very high	93.5	Very high	34 Å²	34	32.5 Å²	32.5	17%	0.167	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-49.8	170.8	-73.6	173.4	70.1	0	0	111.5	G258 I623 R639 H641 L645 A646 D647	G258-M643 WeakPolarHBondContact O-CE 3.3Å; I623-M643 HydrophobicContact CD1-CG 3.91Å; I623-M643 HydrophobicContact CG1-CG 4.45Å; R639-M643 HydrophobicContact CG-SD 4.46Å; R639-M643 WeakPolarHBondContact O-CB 3.31Å; R639-M643 WeakPolarHBondContact O-CG 3.41Å; R639-M643 PolarHBondContact O-N 3.16Å; H641-M643 VanDerWaalsContact C-N 3.28Å; H641-M643 PolarHBondContact O-N 3.36Å; M643-L645 VanDerWaalsContact C-N 3.29Å; M643-L645 PolarHBondContact O-N 3.39Å; M643-A646 PolarHBondContact O-N 3.27Å; M643-A646 VanDerWaalsContact O-N 3.15Å; M643-D647 WeakPolarHBondContact O-CB 3.37Å; M643-D647 PolarHBondContact O-N 3.05Å
644	L	97.9	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-40.2	179.1	-176.4	65.4	0	0	0	112.2	L237 V245 I253 Q254 Y257 V388 C392 R640 H641 D647 L648	L237-L644 HydrophobicContact CD2-CD1 3.87Å; L237-L644 HydrophobicContact CD2-CD2 4.41Å; L237-L644 HydrophobicContact CD2-CG 4.22Å; V245-L644 HydrophobicContact CG1-CD1 4.09Å; I253-L644 HydrophobicContact CG2-CD1 4.33Å; Q254-L644 HydrophobicContact CG-CD1 4.24Å; Y257-L644 HydrophobicContact CE2-CB 4.45Å; Y257-L644 HydrophobicContact CE2-CD2 4.12Å; V388-L644 HydrophobicContact CB-CD2 4.28Å; V388-L644 HydrophobicContact CG2-CD2 4.07Å; C392-L644 HydrophobicContact CB-CD2 3.94Å; R640-L644 PolarHBondContact O-N 3.1Å; R640-L644 VanDerWaalsContact O-N 3.09Å; H641-L644 PolarHBondContact O-N 3.42Å; L644-D647 PolarHBondContact O-N 3.3Å; L644-L648 PolarHBondContact O-N 2.82Å
645	L	97.3	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-47	175.1	177.1	62.4	0	0	0	111.6	L230 L234 I396 I429 I626 H641 V642 M643 D647 L648 M649 I658	L230-L645 HydrophobicContact CD2-CD1 3.98Å; L230-L645 HydrophobicContact CD2-CD2 4.33Å; L234-L645 HydrophobicContact CD1-CD1 4.27Å; I396-L645 HydrophobicContact CD1-CB 3.97Å; I396-L645 HydrophobicContact CD1-CD2 3.55Å; I396-L645 HydrophobicContact CD1-CG 4.37Å; I429-L645 HydrophobicContact CG2-CD2 4.32Å; I626-L645 HydrophobicContact CD1-CD2 3.79Å; H641-L645 PolarHBondContact O-N 2.75Å; H641-L645 VanDerWaalsContact O-N 3.09Å; V642-L645 PolarHBondContact O-N 2.99Å; M643-L645 VanDerWaalsContact C-N 3.29Å; M643-L645 PolarHBondContact O-N 3.39Å; L645-D647 VanDerWaalsContact C-N 3.33Å; L645-D647 PolarHBondContact O-N 3Å; L645-L648 PolarHBondContact O-N 3.3Å; L645-M649 HydrophobicContact CD1-CG 4.41Å; L645-M649 HydrophobicContact CD1-SD 4.24Å; L645-M649 HydrophobicContact CG-SD 4.19Å; L645-M649 WeakPolarHBondContact O-CG 3.26Å; L645-M649 PolarHBondContact O-N 3.22Å; L645-I658 HydrophobicContact CD1-CD1 4.14Å; L645-I658 HydrophobicContact CD1-CG1 4.23Å
646	A	97.3	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-38.4	179.3	0	0	0	0	0	112.2	R619 I622 I623 V642 M643 M649 S650	R619-A646 HydrophobicContact CG-CB 3.94Å; I622-A646 HydrophobicContact CB-CB 4.11Å; I622-A646 HydrophobicContact CG2-CB 3.86Å; I623-A646 HydrophobicContact CD1-CB 4.13Å; I623-A646 HydrophobicContact CG1-CB 3.64Å; V642-A646 WeakPolarHBondContact O-CB 3.38Å; V642-A646 PolarHBondContact O-N 3.19Å; M643-A646 PolarHBondContact O-N 3.27Å; M643-A646 VanDerWaalsContact O-N 3.15Å; A646-M649 PolarHBondContact O-N 3.08Å; A646-S650 WeakPolarHBondContact O-CB 3.49Å; A646-S650 PolarHBondContact O-N 3.11Å; A646-S650 VanDerWaalsContact O-N 3.17Å; A646-S650 PolarHBondContact O-OG 2.93Å
647	D	97.6	Very high	95.9	Very high	18 Å²	18	25.9 Å²	25.9	10%	0.096	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-45.8	174.4	-74.9	-45.9	0	0	0	111.7	I253 Q254 R619 M643 L644 L645 M649 S650 Y651	I253-D647 HydrophobicContact CG2-CB 3.88Å; Q254-D647 HydrophobicContact CG-CB 4Å; Q254-D647 WeakPolarHBondContact CG-OD2 3.15Å; Q254-D647 PolarHBondContact NE2-OD2 3.3Å; R619-D647 IonicContact CZ-OD1 2.99Å; R619-D647 IonicContact CZ-OD2 3.23Å; R619-D647 IonicContact NE-OD1 3.84Å; R619-D647 PolarHBondContact NE-OD1 3.22Å; R619-D647 IonicContact NE-OD2 2.78Å; R619-D647 VanDerWaalsContact NH2-CG 3.28Å; R619-D647 IonicContact NH2-OD1 2.77Å; R619-D647 PolarHBondContact NH2-OD1 3.42Å; R619-D647 IonicContact NH2-OD2 2.83Å; R619-D647 PolarHBondContact NH2-OD2 2.98Å; M643-D647 WeakPolarHBondContact O-CB 3.37Å; M643-D647 PolarHBondContact O-N 3.05Å; L644-D647 PolarHBondContact O-N 3.3Å; L645-D647 VanDerWaalsContact C-N 3.33Å; L645-D647 PolarHBondContact O-N 3Å; D647-M649 PolarHBondContact O-N 3.07Å; D647-S650 PolarHBondContact O-N 2.8Å; D647-S650 VanDerWaalsContact O-N 3.09Å; D647-S650 PolarHBondContact O-OG 3.32Å; D647-Y651 PolarHBondContact O-N 3.33Å
648	L	97	Very high	96.1	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-34.3	175.2	179.8	62.9	0	0	0	112.3	L234 L237 I253 L644 L645 S650 Y651 M666	L234-L648 HydrophobicContact CD2-CB 4.39Å; L234-L648 HydrophobicContact CD2-CD2 3.38Å; L234-L648 HydrophobicContact CD2-CG 4.49Å; L234-L648 HydrophobicContact CG-CD2 3.7Å; L237-L648 HydrophobicContact CD1-CD1 4.14Å; L237-L648 HydrophobicContact CD1-CD2 4.36Å; L237-L648 HydrophobicContact CD2-CD1 4.34Å; I253-L648 HydrophobicContact CD1-CD1 4.11Å; I253-L648 HydrophobicContact CG2-CB 4.39Å; L644-L648 PolarHBondContact O-N 2.82Å; L645-L648 PolarHBondContact O-N 3.3Å; L648-S650 VanDerWaalsContact C-N 3.29Å; L648-S650 PolarHBondContact O-N 3.05Å; L648-Y651 HydrophobicContact CD1-CD1 4.32Å; L648-Y651 HydrophobicContact CD1-CE1 3.93Å; L648-Y651 WeakPolarHBondContact O-CD1 3.43Å; L648-Y651 WeakPolarHBondContact O-CE1 3.27Å; L648-M666 HydrophobicContact CD1-SD 4.32Å; L648-M666 HydrophobicContact CG-CE 4.46Å; L648-M666 HydrophobicContact CG-SD 4.25Å; L648-M666 WeakPolarHBondContact O-CE 3.47Å
649	M	96.8	Very high	96.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-73.7	-20.1	177.8	-70	178.6	66.1	0	0	113.2	A431 I622 L645 A646 D647 E654 I655 L656 I658	A431-M649 HydrophobicContact CB-CE 4.27Å; I622-M649 HydrophobicContact CD1-CB 4.37Å; I622-M649 HydrophobicContact CD1-CE 4.11Å; I622-M649 HydrophobicContact CD1-SD 4.35Å; I622-M649 HydrophobicContact CG2-SD 4.42Å; L645-M649 HydrophobicContact CD1-CG 4.41Å; L645-M649 HydrophobicContact CD1-SD 4.24Å; L645-M649 HydrophobicContact CG-SD 4.19Å; L645-M649 WeakPolarHBondContact O-CG 3.26Å; L645-M649 PolarHBondContact O-N 3.22Å; A646-M649 PolarHBondContact O-N 3.08Å; D647-M649 PolarHBondContact O-N 3.07Å; M649-E654 VanDerWaalsContact O-O 3.11Å; M649-I655 HydrophobicContact CE-CG2 3.96Å; M649-I655 WeakPolarHBondContact O-CA 3.38Å; M649-L656 PolarHBondContact O-N 2.76Å; M649-I658 HydrophobicContact CG-CD1 4.01Å; M649-I658 HydrophobicContact CG-CG1 4.41Å; M649-I658 HydrophobicContact SD-CG1 4.41Å
650	S	96.8	Very high	95.8	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.07	13%	0.132	C	C	.	.	H	α-helix	trans	-117.6	-14.2	-169.2	55.2	0	0	0	0	115.6	A646 D647 L648 K652 G653	A646-S650 WeakPolarHBondContact O-CB 3.49Å; A646-S650 PolarHBondContact O-N 3.11Å; A646-S650 VanDerWaalsContact O-N 3.17Å; A646-S650 PolarHBondContact O-OG 2.93Å; D647-S650 PolarHBondContact O-N 2.8Å; D647-S650 VanDerWaalsContact O-N 3.09Å; D647-S650 PolarHBondContact O-OG 3.32Å; L648-S650 VanDerWaalsContact C-N 3.29Å; L648-S650 PolarHBondContact O-N 3.05Å; S650-K652 PolarHBondContact O-N 3.01Å; S650-G653 PolarHBondContact O-N 3Å
651	Y	96.6	Very high	95.5	Very high	58 Å²	58	32 Å²	32	23%	0.227	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	-172.4	82.4	-76.8	0	0	0	115.6	D251 I253 D647 L648 G653 M666	D251-Y651 HydrophobicContact CB-CE2 4.22Å; I253-Y651 HydrophobicContact CD1-CD1 3.72Å; I253-Y651 HydrophobicContact CD1-CD2 3.69Å; I253-Y651 HydrophobicContact CD1-CE1 3.9Å; I253-Y651 HydrophobicContact CD1-CE2 3.86Å; I253-Y651 HydrophobicContact CD1-CG 3.6Å; D647-Y651 PolarHBondContact O-N 3.33Å; L648-Y651 HydrophobicContact CD1-CD1 4.32Å; L648-Y651 HydrophobicContact CD1-CE1 3.93Å; L648-Y651 WeakPolarHBondContact O-CD1 3.43Å; L648-Y651 WeakPolarHBondContact O-CE1 3.27Å; Y651-G653 VanDerWaalsContact C-N 3.32Å; Y651-M666 HydrophobicContact CE1-CG 4.42Å; Y651-M666 PolarHBondContact OH-O 3.15Å
652	K	94.9	Very high	95.2	Very high	104 Å²	104	31.6 Å²	31.6	45%	0.452	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.7	176.7	-73.5	-165.6	-179.5	-70	0	114.2	S650 L656 K665	S650-K652 PolarHBondContact O-N 3.01Å; K652-L656 HydrophobicContact CB-CD1 4.15Å; K652-L656 HydrophobicContact CD-CD1 3.99Å; K652-L656 HydrophobicContact CG-CD1 4.43Å; K652-K665 WeakPolarHBondContact CE-O 3.44Å
653	G	93.1	Very high	94.9	Very high	52 Å²	52	31.4 Å²	31.4	54%	0.536	16%	0.159	S	C	.	.	S	Bend	trans	84.6	4.1	177.6	0	0	0	0	0	115.7	S650 Y651	S650-G653 PolarHBondContact O-N 3Å; Y651-G653 VanDerWaalsContact C-N 3.32Å
654	E	94.8	Very high	94.6	Very high	82 Å²	82	32 Å²	32	38%	0.383	17%	0.169	S	C	.	.	S	Bend	trans	-133.1	149.6	167.9	-177.2	-173.3	-167.8	0	0	107.2	E610 M649 L656 K665	E610-E654 VanDerWaalsContact OE1-CA 3.27Å; E610-E654 WeakPolarHBondContact OE1-CA 3.45Å; M649-E654 VanDerWaalsContact O-O 3.11Å; E654-L656 PolarHBondContact O-N 3.39Å; E654-L656 VanDerWaalsContact O-N 3.14Å; E654-K665 IonicContact OE1-NZ 2.65Å; E654-K665 IonicContact OE2-NZ 3.62Å; E654-K665 PolarHBondContact OE2-NZ 3.11Å
655	I	96.2	Very high	94.2	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.062	19%	0.193	C	C	.	.			trans	-72.7	107	173	-56.9	174	0	0	0	110.2	A431 E610 I615 A618 I622 M649	A431-I655 HydrophobicContact CB-CG2 3.69Å; E610-I655 HydrophobicContact CB-CD1 3.86Å; E610-I655 HydrophobicContact CB-CG1 4.49Å; E610-I655 HydrophobicContact CG-CD1 4.21Å; E610-I655 HydrophobicContact CG-CG1 4.3Å; E610-I655 PolarHBondContact OE1-N 3.04Å; I615-I655 HydrophobicContact CD1-CG1 3.63Å; A618-I655 HydrophobicContact CB-CD1 3.4Å; A618-I655 HydrophobicContact CB-CG1 4.33Å; I622-I655 HydrophobicContact CD1-CG2 4.13Å; M649-I655 HydrophobicContact CE-CG2 3.96Å; M649-I655 WeakPolarHBondContact O-CA 3.38Å
656	L	95.8	Very high	93.8	Very high	8 Å²	8	38 Å²	38	4%	0.042	20%	0.196	C	C	.	.			trans	-96.2	116.6	177.3	-61.4	-177.8	0	0	0	110.5	M649 K652 E654 K665 M666	M649-L656 PolarHBondContact O-N 2.76Å; K652-L656 HydrophobicContact CB-CD1 4.15Å; K652-L656 HydrophobicContact CD-CD1 3.99Å; K652-L656 HydrophobicContact CG-CD1 4.43Å; E654-L656 PolarHBondContact O-N 3.39Å; E654-L656 VanDerWaalsContact O-N 3.14Å; L656-K665 HydrophobicContact CD1-CB 4.01Å; L656-K665 HydrophobicContact CD2-CB 4.3Å; L656-K665 HydrophobicContact CD2-CD 3.52Å; L656-M666 HydrophobicContact CB-CE 3.37Å; L656-M666 HydrophobicContact CB-CG 4.39Å; L656-M666 HydrophobicContact CD1-CE 4.33Å; L656-M666 HydrophobicContact CD1-CG 3.75Å; L656-M666 HydrophobicContact CG-CE 4.48Å; L656-M666 VanDerWaalsContact O-CE 3.32Å; L656-M666 WeakPolarHBondContact O-CE 3.37Å
657	G	95.1	Very high	93.1	Very high	6 Å²	6	39.2 Å²	39.2	6%	0.062	20%	0.201	C	C	.	.			trans	-68.9	151	174.8	0	0	0	0	0	112.8	I429 T659 G662	I429-G657 CarbonylContact O-C 3.53Å; I429-G657 VanDerWaalsContact O-CA 3.31Å; I429-G657 WeakPolarHBondContact O-CA 3.33Å; G657-T659 PolarHBondContact O-N 3.21Å; G657-G662 VanDerWaalsContact O-CA 3.29Å; G657-G662 WeakPolarHBondContact O-CA 3.35Å
658	I	95.1	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-75	33.6	178.5	-50	-62.4	0	0	0	111.7	R229 L230 S233 I429 L645 M649 M666	R229-I658 HydrophobicContact CB-CG2 4.18Å; R229-I658 PolarHBondContact NE-O 3.5Å; R229-I658 PolarHBondContact NH2-O 3.37Å; R229-I658 WeakPolarHBondContact O-CG2 3.42Å; L230-I658 HydrophobicContact CD2-CG1 4.45Å; L230-I658 HydrophobicContact CD2-CG2 4.35Å; S233-I658 WeakPolarHBondContact OG-CD1 3.41Å; I429-I658 HydrophobicContact CB-CB 4.48Å; I429-I658 HydrophobicContact CB-CG1 4.33Å; I429-I658 PolarHBondContact O-N 3.49Å; L645-I658 HydrophobicContact CD1-CD1 4.14Å; L645-I658 HydrophobicContact CD1-CG1 4.23Å; M649-I658 HydrophobicContact CG-CD1 4.01Å; M649-I658 HydrophobicContact CG-CG1 4.41Å; M649-I658 HydrophobicContact SD-CG1 4.41Å; I658-M666 HydrophobicContact CD1-CE 4.27Å
659	T	93.8	Very high	92.2	Very high	30 Å²	30	45 Å²	45	18%	0.184	23%	0.229	C	C	.	.	S	Bend	trans	-94.4	170.8	177.5	65.6	0	0	0	0	109.7	R229 N430 G657 F661 G662 L663	R229-T659 VanDerWaalsContact NH2-CA 3.34Å; N430-T659 HydrophobicContact CB-CG2 4.19Å; G657-T659 PolarHBondContact O-N 3.21Å; T659-F661 PolarHBondContact O-N 3.4Å; T659-F661 VanDerWaalsContact O-N 3.14Å; T659-F661 PolarHBondContact OG1-N 3.07Å; T659-G662 PolarHBondContact O-N 3.39Å; T659-G662 PolarHBondContact OG1-N 3.15Å; T659-L663 VanDerWaalsContact O-CB 3.3Å; T659-L663 WeakPolarHBondContact O-CB 3.33Å; T659-L663 PolarHBondContact O-N 3.48Å
660	R	89	Confident	92.1	Very high	94 Å²	94	45.6 Å²	45.6	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-51.8	-35.6	171.9	70.2	-175.2	-175.6	-168.4	-2.7	113.6	A664 F676 E677	R660-A664 WeakPolarHBondContact O-CB 3.47Å; R660-A664 PolarHBondContact O-N 2.72Å; R660-A664 VanDerWaalsContact O-N 3.1Å; R660-F676 HydrophobicContact CB-CD1 4.49Å; R660-F676 HydrophobicContact CB-CE1 3.95Å; R660-E677 WeakPolarHBondContact CD-OE2 3.49Å
661	F	90.6	Very high	92	Very high	139 Å²	139	47.5 Å²	47.5	61%	0.61	24%	0.241	S	C	*	.	H	α-helix	trans	-74.9	-41.6	-177.4	-61.4	-70.6	0	0	0	112	T659 K665	T659-F661 PolarHBondContact O-N 3.4Å; T659-F661 VanDerWaalsContact O-N 3.14Å; T659-F661 PolarHBondContact OG1-N 3.07Å; F661-K665 PolarHBondContact O-N 2.86Å
662	G	90.7	Very high	91.9	Very high	5 Å²	5	44.8 Å²	44.8	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-37	175.7	0	0	0	0	0	111.9	G657 T659 A664 K665 M666	G657-G662 VanDerWaalsContact O-CA 3.29Å; G657-G662 WeakPolarHBondContact O-CA 3.35Å; T659-G662 PolarHBondContact O-N 3.39Å; T659-G662 PolarHBondContact OG1-N 3.15Å; G662-A664 VanDerWaalsContact C-N 3.35Å; G662-A664 PolarHBondContact O-N 3.3Å; G662-K665 WeakPolarHBondContact O-CA 3.37Å; G662-K665 WeakPolarHBondContact O-CB 3.42Å; G662-K665 PolarHBondContact O-N 3.35Å; G662-M666 WeakPolarHBondContact O-CG 3.49Å; G662-M666 PolarHBondContact O-N 3.23Å
663	L	90.1	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-39.1	177.8	-155.1	154	0	0	0	111.6	K232 T659 K665 M666 K667 M672 L673 F676	K232-L663 HydrophobicContact CB-CD1 4.06Å; T659-L663 VanDerWaalsContact O-CB 3.3Å; T659-L663 WeakPolarHBondContact O-CB 3.33Å; T659-L663 PolarHBondContact O-N 3.48Å; L663-K665 VanDerWaalsContact C-N 3.26Å; L663-K665 PolarHBondContact O-N 2.85Å; L663-M666 PolarHBondContact O-N 3.3Å; L663-M666 VanDerWaalsContact O-N 3.14Å; L663-K667 HydrophobicContact CD2-CB 4.3Å; L663-K667 HydrophobicContact CD2-CD 3.99Å; L663-K667 HydrophobicContact CD2-CG 4.31Å; L663-K667 PolarHBondContact O-N 3.13Å; L663-M672 HydrophobicContact CD2-CE 4.16Å; L663-M672 HydrophobicContact CD2-SD 3.77Å; L663-L673 HydrophobicContact CD2-CD2 3.51Å; L663-F676 HydrophobicContact CD1-CD1 4.38Å
664	A	90.6	Very high	91.8	Very high	46 Å²	46	38.5 Å²	38.5	38%	0.38	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-26.4	172	0	0	0	0	0	114	R660 G662 L673	R660-A664 WeakPolarHBondContact O-CB 3.47Å; R660-A664 PolarHBondContact O-N 2.72Å; R660-A664 VanDerWaalsContact O-N 3.1Å; G662-A664 VanDerWaalsContact C-N 3.35Å; G662-A664 PolarHBondContact O-N 3.3Å; A664-L673 HydrophobicContact CB-CD2 4.22Å
665	K	90	Very high	91.8	Very high	115 Å²	115	36.7 Å²	36.7	50%	0.5	19%	0.187	S	C	.	.	H	α-helix	trans	-81.5	-30.2	171.8	-75.8	-178.4	167	-171.2	0	112.5	K652 E654 L656 F661 G662 L663	K652-K665 WeakPolarHBondContact CE-O 3.44Å; E654-K665 IonicContact OE1-NZ 2.65Å; E654-K665 IonicContact OE2-NZ 3.62Å; E654-K665 PolarHBondContact OE2-NZ 3.11Å; L656-K665 HydrophobicContact CD1-CB 4.01Å; L656-K665 HydrophobicContact CD2-CB 4.3Å; L656-K665 HydrophobicContact CD2-CD 3.52Å; F661-K665 PolarHBondContact O-N 2.86Å; G662-K665 WeakPolarHBondContact O-CA 3.37Å; G662-K665 WeakPolarHBondContact O-CB 3.42Å; G662-K665 PolarHBondContact O-N 3.35Å; L663-K665 VanDerWaalsContact C-N 3.26Å; L663-K665 PolarHBondContact O-N 2.85Å
666	M	87.6	Confident	91.5	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-81	-38.5	-177.9	-72	-178.9	-177.4	0	0	112.8	L648 Y651 L656 I658 G662 L663	L648-M666 HydrophobicContact CD1-SD 4.32Å; L648-M666 HydrophobicContact CG-CE 4.46Å; L648-M666 HydrophobicContact CG-SD 4.25Å; L648-M666 WeakPolarHBondContact O-CE 3.47Å; Y651-M666 HydrophobicContact CE1-CG 4.42Å; Y651-M666 PolarHBondContact OH-O 3.15Å; L656-M666 HydrophobicContact CB-CE 3.37Å; L656-M666 HydrophobicContact CB-CG 4.39Å; L656-M666 HydrophobicContact CD1-CE 4.33Å; L656-M666 HydrophobicContact CD1-CG 3.75Å; L656-M666 HydrophobicContact CG-CE 4.48Å; L656-M666 VanDerWaalsContact O-CE 3.32Å; L656-M666 WeakPolarHBondContact O-CE 3.37Å; I658-M666 HydrophobicContact CD1-CE 4.27Å; G662-M666 WeakPolarHBondContact O-CG 3.49Å; G662-M666 PolarHBondContact O-N 3.23Å; L663-M666 PolarHBondContact O-N 3.3Å; L663-M666 VanDerWaalsContact O-N 3.14Å
667	K	83.4	Confident	91.3	Very high	25 Å²	25	38.2 Å²	38.2	11%	0.109	19%	0.193	C	C	.	.			trans	-117.6	137.8	-169.4	-64.1	-166.1	174.1	-157.1	0	111.6	K232 S233 D236 L663 M672	K232-K667 PolarHBondContact O-NZ 3.19Å; S233-K667 VanDerWaalsContact O-CE 3.29Å; S233-K667 WeakPolarHBondContact O-CE 3.29Å; S233-K667 PolarHBondContact O-NZ 2.92Å; D236-K667 IonicContact OD2-NZ 3.65Å; D236-K667 PolarHBondContact OD2-NZ 3.36Å; L663-K667 HydrophobicContact CD2-CB 4.3Å; L663-K667 HydrophobicContact CD2-CD 3.99Å; L663-K667 HydrophobicContact CD2-CG 4.31Å; L663-K667 PolarHBondContact O-N 3.13Å; K667-M672 HydrophobicContact CB-SD 4.26Å; K667-M672 HydrophobicContact CD-CE 3.17Å; K667-M672 HydrophobicContact CD-CG 4.46Å; K667-M672 HydrophobicContact CD-SD 3.32Å; K667-M672 WeakPolarHBondContact CD-SD 3.3Å; K667-M672 HydrophobicContact CG-SD 4.39Å
668	E	83.7	Confident	91.2	Very high	133 Å²	133	42.6 Å²	42.6	62%	0.621	21%	0.211	S	C	*	.			trans	-93.2	-25.8	-177.8	-166.6	-180	175.9	0	0	112.9	V670 Q691	E668-V670 PolarHBondContact O-N 3.31Å; E668-Q691 PolarHBondContact O-NE2 3.04Å
669	S	92.6	Very high	91.1	Very high	14 Å²	14	46.2 Å²	46.2	10%	0.098	23%	0.233	C	C	.	.			trans	-66.3	124.5	-174.5	173.9	0	0	0	0	112.7	M672 L673 D693 E700	S669-M672 VanDerWaalsContact OG-CB 3.3Å; S669-M672 WeakPolarHBondContact OG-CB 3.28Å; S669-L673 VanDerWaalsContact O-CG 3.29Å; S669-L673 WeakPolarHBondContact O-CG 3.4Å; S669-L673 PolarHBondContact O-N 3.22Å; S669-D693 WeakPolarHBondContact CA-OD1 3.39Å; S669-D693 WeakPolarHBondContact CB-OD1 3.26Å; S669-D693 PolarHBondContact OG-OD1 3.43Å; S669-D693 PolarHBondContact OG-OD2 3.32Å; S669-E700 WeakPolarHBondContact CB-OE1 3.42Å; S669-E700 VanDerWaalsContact OG-CD 3.24Å; S669-E700 PolarHBondContact OG-OE1 3.23Å
670	V	94.2	Very high	91.2	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-74.7	-46.8	-174.5	176.6	0	0	0	0	110.3	E668 M672 L673 A674 L683 A686 Q691 D693	E668-V670 PolarHBondContact O-N 3.31Å; V670-M672 PolarHBondContact O-N 3.49Å; V670-L673 PolarHBondContact O-N 2.92Å; V670-A674 VanDerWaalsContact O-CB 3.26Å; V670-A674 WeakPolarHBondContact O-CB 3.36Å; V670-A674 PolarHBondContact O-N 3.29Å; V670-L683 HydrophobicContact CG1-CD2 4.32Å; V670-A686 HydrophobicContact CB-CB 4.24Å; V670-A686 HydrophobicContact CG1-CB 3.49Å; V670-A686 VanDerWaalsContact CG1-CB 3.49Å; V670-A686 HydrophobicContact CG2-CB 3.75Å; V670-Q691 HydrophobicContact CG2-CG 4.18Å; V670-D693 WeakPolarHBondContact CA-OD2 3.4Å; V670-D693 PolarHBondContact N-OD2 2.96Å
671	L	95	Very high	91.5	Very high	51 Å²	51	46.4 Å²	46.4	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-37.4	179.7	-71.1	177.5	0	0	0	111.4	A674 S675 D693 E700 I703	L671-A674 PolarHBondContact O-N 3.07Å; L671-S675 WeakPolarHBondContact O-CB 3.18Å; L671-S675 PolarHBondContact O-N 2.75Å; L671-D693 PolarHBondContact N-OD2 3.42Å; L671-E700 HydrophobicContact CB-CB 4.13Å; L671-E700 HydrophobicContact CD1-CB 4.14Å; L671-I703 HydrophobicContact CB-CD1 4.43Å
672	M	93.1	Very high	91.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-49.2	177.5	-170.2	-87.1	177	0	0	111.4	K232 E235 L663 K667 S669 V670 S675	K232-M672 HydrophobicContact CD-CE 4.35Å; K232-M672 WeakPolarHBondContact O-CE 3.14Å; E235-M672 WeakPolarHBondContact OE1-CE 3.32Å; L663-M672 HydrophobicContact CD2-CE 4.16Å; L663-M672 HydrophobicContact CD2-SD 3.77Å; K667-M672 HydrophobicContact CB-SD 4.26Å; K667-M672 HydrophobicContact CD-CE 3.17Å; K667-M672 HydrophobicContact CD-CG 4.46Å; K667-M672 HydrophobicContact CD-SD 3.32Å; K667-M672 WeakPolarHBondContact CD-SD 3.3Å; K667-M672 HydrophobicContact CG-SD 4.39Å; S669-M672 VanDerWaalsContact OG-CB 3.3Å; S669-M672 WeakPolarHBondContact OG-CB 3.28Å; V670-M672 PolarHBondContact O-N 3.49Å; M672-S675 PolarHBondContact O-N 3.19Å; M672-S675 PolarHBondContact O-OG 3.04Å
673	L	93.1	Very high	92	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-45.7	174.4	-69.3	170.5	0	0	0	112.1	L663 A664 S669 V670 S675 F676 E677	L663-L673 HydrophobicContact CD2-CD2 3.51Å; A664-L673 HydrophobicContact CB-CD2 4.22Å; S669-L673 VanDerWaalsContact O-CG 3.29Å; S669-L673 WeakPolarHBondContact O-CG 3.4Å; S669-L673 PolarHBondContact O-N 3.22Å; V670-L673 PolarHBondContact O-N 2.92Å; L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.44Å; L673-F676 PolarHBondContact O-N 3.5Å; L673-E677 PolarHBondContact O-N 2.84Å
674	A	94.4	Very high	92.3	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-30.9	179.8	0	0	0	0	0	112.6	V670 L671 F676 T679 H682 L683	V670-A674 VanDerWaalsContact O-CB 3.26Å; V670-A674 WeakPolarHBondContact O-CB 3.36Å; V670-A674 PolarHBondContact O-N 3.29Å; L671-A674 PolarHBondContact O-N 3.07Å; A674-F676 VanDerWaalsContact C-N 3.26Å; A674-F676 PolarHBondContact O-N 2.78Å; A674-T679 HydrophobicContact CB-CG2 4.12Å; A674-T679 WeakPolarHBondContact O-CB 3.19Å; A674-T679 WeakPolarHBondContact O-CG2 3.12Å; A674-T679 PolarHBondContact O-OG1 3.25Å; A674-H682 HydrophobicContact CB-CB 4.3Å; A674-L683 HydrophobicContact CB-CD2 4.19Å; A674-L683 HydrophobicContact CB-CG 4.16Å
675	S	93.8	Very high	92.5	Very high	43 Å²	43	54.7 Å²	54.7	30%	0.301	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.8	175.5	80.9	0	0	0	0	114.2	R228 K232 L671 M672 L673	R228-S675 PolarHBondContact NH2-O 3.4Å; K232-S675 PolarHBondContact NZ-OG 2.75Å; L671-S675 WeakPolarHBondContact O-CB 3.18Å; L671-S675 PolarHBondContact O-N 2.75Å; M672-S675 PolarHBondContact O-N 3.19Å; M672-S675 PolarHBondContact O-OG 3.04Å; L673-S675 VanDerWaalsContact C-N 3.26Å; L673-S675 PolarHBondContact O-N 3.44Å
676	F	90.4	Very high	92.8	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.044	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-67.5	-175.3	176.8	-118.7	0	0	0	112.3	R228 R229 K232 R660 L663 L673 A674	R228-F676 PolarHBondContact NH1-O 3.37Å; R228-F676 PolarHBondContact NH2-O 2.88Å; R229-F676 HydrophobicContact CG-CE2 3.87Å; R229-F676 HydrophobicContact CG-CZ 3.74Å; K232-F676 HydrophobicContact CB-CD2 4.2Å; K232-F676 HydrophobicContact CG-CD2 3.93Å; R660-F676 HydrophobicContact CB-CD1 4.49Å; R660-F676 HydrophobicContact CB-CE1 3.95Å; L663-F676 HydrophobicContact CD1-CD1 4.38Å; L673-F676 PolarHBondContact O-N 3.5Å; A674-F676 VanDerWaalsContact C-N 3.26Å; A674-F676 PolarHBondContact O-N 2.78Å
677	E	91.1	Very high	93.2	Very high	42 Å²	42	53 Å²	53	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	-151	158.9	179.2	-69.3	-171.5	178.5	0	0	110.5	Y225 R660 L673 T679 H682	Y225-E677 PolarHBondContact OH-OE1 2.9Å; R660-E677 WeakPolarHBondContact CD-OE2 3.49Å; L673-E677 PolarHBondContact O-N 2.84Å; E677-T679 VanDerWaalsContact C-N 3.34Å; E677-T679 PolarHBondContact O-N 3.43Å; E677-H682 PolarHBondContact O-CD2 3.09Å
678	K	92	Very high	93.9	Very high	99 Å²	99	60.8 Å²	60.8	43%	0.43	32%	0.321	S	S	.	.			trans	52	47	178	-69	173.5	138.8	-96.2	0	113.8	A680 D681 H682	K678-A680 VanDerWaalsContact C-N 3.33Å; K678-A680 PolarHBondContact O-N 2.95Å; K678-D681 HydrophobicContact CB-CB 4.42Å; K678-D681 IonicContact NZ-OD2 2.85Å; K678-D681 PolarHBondContact NZ-OD2 3.36Å; K678-D681 PolarHBondContact O-N 3.31Å; K678-H682 PolarHBondContact O-CD2 2.97Å; K678-H682 VanDerWaalsContact O-CD2 3.32Å; K678-H682 PolarHBondContact O-N 3.22Å
679	T	94.3	Very high	94.5	Very high	75 Å²	75	61.6 Å²	61.6	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-50.3	-47.1	-176.1	-50.2	0	0	0	0	113.8	A674 E677 L683	A674-T679 HydrophobicContact CB-CG2 4.12Å; A674-T679 WeakPolarHBondContact O-CB 3.19Å; A674-T679 WeakPolarHBondContact O-CG2 3.12Å; A674-T679 PolarHBondContact O-OG1 3.25Å; E677-T679 VanDerWaalsContact C-N 3.34Å; E677-T679 PolarHBondContact O-N 3.43Å; T679-L683 HydrophobicContact CG2-CD1 4.1Å; T679-L683 WeakPolarHBondContact O-CG 3.25Å; T679-L683 PolarHBondContact O-N 2.86Å
680	A	96.2	Very high	94.7	Very high	54 Å²	54	63.6 Å²	63.6	45%	0.446	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-48.5	-176.6	0	0	0	0	0	112.1	K678 H682 L683 F684	K678-A680 VanDerWaalsContact C-N 3.33Å; K678-A680 PolarHBondContact O-N 2.95Å; A680-H682 PolarHBondContact O-N 3.28Å; A680-L683 PolarHBondContact O-N 3.16Å; A680-F684 HydrophobicContact CB-CD2 4.38Å; A680-F684 HydrophobicContact CB-CE2 4.33Å; A680-F684 WeakPolarHBondContact O-CD2 3.36Å; A680-F684 PolarHBondContact O-N 2.87Å
681	D	95.1	Very high	94.7	Very high	74 Å²	74	67.2 Å²	67.2	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-57	-50.1	-178.1	-59.5	-12.7	0	0	0	110.5	K678 L683 F684 D685	K678-D681 HydrophobicContact CB-CB 4.42Å; K678-D681 IonicContact NZ-OD2 2.85Å; K678-D681 PolarHBondContact NZ-OD2 3.36Å; K678-D681 PolarHBondContact O-N 3.31Å; D681-L683 VanDerWaalsContact C-N 3.31Å; D681-L683 PolarHBondContact O-N 2.99Å; D681-F684 PolarHBondContact O-N 3.44Å; D681-D685 WeakPolarHBondContact O-CB 3.34Å; D681-D685 VanDerWaalsContact O-CG 3.27Å; D681-D685 PolarHBondContact O-N 3.09Å
682	H	94.5	Very high	94.7	Very high	44 Å²	44	74 Å²	74	20%	0.204	39%	0.389	C	S	.	.	H	α-helix	trans	-61.4	-37	-179.3	-72.5	-57.7	0	0	0	113.3	A674 E677 K678 A680 A686	A674-H682 HydrophobicContact CB-CB 4.3Å; E677-H682 PolarHBondContact O-CD2 3.09Å; K678-H682 PolarHBondContact O-CD2 2.97Å; K678-H682 VanDerWaalsContact O-CD2 3.32Å; K678-H682 PolarHBondContact O-N 3.22Å; A680-H682 PolarHBondContact O-N 3.28Å; H682-A686 VanDerWaalsContact O-CB 3.26Å; H682-A686 WeakPolarHBondContact O-CB 3.48Å; H682-A686 PolarHBondContact O-N 3.16Å; H682-A686 VanDerWaalsContact O-N 3.08Å
683	L	96.1	Very high	94.7	Very high	83 Å²	83	76.2 Å²	76.2	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-72.7	-40.3	177.9	-68.1	175	0	0	0	112.2	V670 A674 T679 A680 D681 A687	V670-L683 HydrophobicContact CG1-CD2 4.32Å; A674-L683 HydrophobicContact CB-CD2 4.19Å; A674-L683 HydrophobicContact CB-CG 4.16Å; T679-L683 HydrophobicContact CG2-CD1 4.1Å; T679-L683 WeakPolarHBondContact O-CG 3.25Å; T679-L683 PolarHBondContact O-N 2.86Å; A680-L683 PolarHBondContact O-N 3.16Å; D681-L683 VanDerWaalsContact C-N 3.31Å; D681-L683 PolarHBondContact O-N 2.99Å; L683-A687 WeakPolarHBondContact O-CB 3.42Å; L683-A687 PolarHBondContact O-N 2.95Å
684	F	97.1	Very high	94.7	Very high	152 Å²	152	79.5 Å²	79.5	67%	0.667	43%	0.425	S	S	*	.	H	α-helix	trans	-67.3	-43.5	176.6	-78.4	-60.9	0	0	0	112	A680 D681 A687 Y688	A680-F684 HydrophobicContact CB-CD2 4.38Å; A680-F684 HydrophobicContact CB-CE2 4.33Å; A680-F684 WeakPolarHBondContact O-CD2 3.36Å; A680-F684 PolarHBondContact O-N 2.87Å; D681-F684 PolarHBondContact O-N 3.44Å; F684-A687 PolarHBondContact O-N 3.3Å; F684-Y688 WeakPolarHBondContact O-CB 3.47Å; F684-Y688 PolarHBondContact O-N 3.3Å
685	D	95.4	Very high	94.7	Very high	86 Å²	86	81.8 Å²	81.8	46%	0.46	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177.1	-71.2	-17.1	0	0	0	110.4	D681 A687 Y688 F689	D681-D685 WeakPolarHBondContact O-CB 3.34Å; D681-D685 VanDerWaalsContact O-CG 3.27Å; D681-D685 PolarHBondContact O-N 3.09Å; D685-A687 VanDerWaalsContact C-N 3.32Å; D685-A687 PolarHBondContact O-N 2.82Å; D685-Y688 PolarHBondContact O-N 2.92Å; D685-Y688 VanDerWaalsContact O-N 3.16Å; D685-F689 HydrophobicContact CB-CD2 4.39Å; D685-F689 HydrophobicContact CB-CE2 4.43Å; D685-F689 WeakPolarHBondContact O-CD2 3.32Å; D685-F689 PolarHBondContact O-N 3.16Å
686	A	95.7	Very high	94.7	Very high	13 Å²	13	82.4 Å²	82.4	11%	0.107	44%	0.442	C	S	.	.	H	α-helix	trans	-61.3	-39.4	177.7	0	0	0	0	0	112.7	V670 H682 G690 Q691	V670-A686 HydrophobicContact CB-CB 4.24Å; V670-A686 HydrophobicContact CG1-CB 3.49Å; V670-A686 VanDerWaalsContact CG1-CB 3.49Å; V670-A686 HydrophobicContact CG2-CB 3.75Å; H682-A686 VanDerWaalsContact O-CB 3.26Å; H682-A686 WeakPolarHBondContact O-CB 3.48Å; H682-A686 PolarHBondContact O-N 3.16Å; H682-A686 VanDerWaalsContact O-N 3.08Å; A686-G690 WeakPolarHBondContact O-CA 3.45Å; A686-G690 PolarHBondContact O-N 3.3Å; A686-Q691 HydrophobicContact CB-CB 4.28Å; A686-Q691 PolarHBondContact O-N 3.34Å
687	A	97.1	Very high	94.8	Very high	78 Å²	78	82 Å²	82	65%	0.645	44%	0.441	S	S	*	.	H	α-helix	trans	-66	-41.1	174.8	0	0	0	0	0	111.9	L683 F684 D685 G690	L683-A687 WeakPolarHBondContact O-CB 3.42Å; L683-A687 PolarHBondContact O-N 2.95Å; F684-A687 PolarHBondContact O-N 3.3Å; D685-A687 VanDerWaalsContact C-N 3.32Å; D685-A687 PolarHBondContact O-N 2.82Å; A687-G690 PolarHBondContact O-N 2.76Å
688	Y	97.3	Very high	95	Very high	189 Å²	189	80.8 Å²	80.8	74%	0.741	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-45.2	177.7	178.7	-99.3	0	0	0	112.1	F684 D685 G690	F684-Y688 WeakPolarHBondContact O-CB 3.47Å; F684-Y688 PolarHBondContact O-N 3.3Å; D685-Y688 PolarHBondContact O-N 2.92Å; D685-Y688 VanDerWaalsContact O-N 3.16Å; Y688-G690 VanDerWaalsContact C-N 3.31Å; Y688-G690 PolarHBondContact O-N 3.01Å
689	F	96.4	Very high	95.2	Very high	149 Å²	149	76.5 Å²	76.5	65%	0.654	42%	0.418	S	S	*	.	H	α-helix	trans	-79.9	-9.4	178.5	-69	-66.1	0	0	0	113.8	D685 Q691	D685-F689 HydrophobicContact CB-CD2 4.39Å; D685-F689 HydrophobicContact CB-CE2 4.43Å; D685-F689 WeakPolarHBondContact O-CD2 3.32Å; D685-F689 PolarHBondContact O-N 3.16Å; F689-Q691 VanDerWaalsContact C-N 3.29Å; F689-Q691 PolarHBondContact O-N 3.09Å
690	G	95.7	Very high	95.2	Very high	56 Å²	56	73 Å²	73	58%	0.577	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	35.5	-175.5	0	0	0	0	0	112.8	A686 A687 Y688	A686-G690 WeakPolarHBondContact O-CA 3.45Å; A686-G690 PolarHBondContact O-N 3.3Å; A687-G690 PolarHBondContact O-N 2.76Å; Y688-G690 VanDerWaalsContact C-N 3.31Å; Y688-G690 PolarHBondContact O-N 3.01Å
691	Q	94.9	Very high	95.2	Very high	89 Å²	89	70.5 Å²	70.5	42%	0.416	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-67.1	138.3	-174.4	-167.7	169	-2.6	0	0	111.2	E668 V670 A686 F689	E668-Q691 PolarHBondContact O-NE2 3.04Å; V670-Q691 HydrophobicContact CG2-CG 4.18Å; A686-Q691 HydrophobicContact CB-CB 4.28Å; A686-Q691 PolarHBondContact O-N 3.34Å; F689-Q691 VanDerWaalsContact C-N 3.29Å; F689-Q691 PolarHBondContact O-N 3.09Å
692	K	94.4	Very high	95.3	Very high	192 Å²	192	72.5 Å²	72.5	84%	0.835	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-99	122.3	175	-64.5	-179.4	-177.6	177.2	0	108.9
693	D	94.3	Very high	95.4	Very high	48 Å²	48	74.9 Å²	74.9	26%	0.257	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-94.3	131.9	-180	-158.8	-9.5	0	0	0	111	S669 V670 L671	S669-D693 WeakPolarHBondContact CA-OD1 3.39Å; S669-D693 WeakPolarHBondContact CB-OD1 3.26Å; S669-D693 PolarHBondContact OG-OD1 3.43Å; S669-D693 PolarHBondContact OG-OD2 3.32Å; V670-D693 WeakPolarHBondContact CA-OD2 3.4Å; V670-D693 PolarHBondContact N-OD2 2.96Å; L671-D693 PolarHBondContact N-OD2 3.42Å
694	S	93.4	Very high	95.5	Very high	86 Å²	86	76.3 Å²	76.3	60%	0.601	41%	0.405	S	S	*	.			trans	-91	113.6	178	-68.7	0	0	0	0	109.4	C696	S694-C696 PolarHBondContact O-N 3.36Å
695	V	94.3	Very high	95.5	Very high	55 Å²	55	72.3 Å²	72.3	33%	0.333	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	67.6	-178.5	-163.5	0	0	0	0	111	E700 M704 I706	V695-E700 HydrophobicContact CG1-CB 4.23Å; V695-E700 HydrophobicContact CG1-CG 4.06Å; V695-M704 HydrophobicContact CG1-CB 4.21Å; V695-M704 HydrophobicContact CG1-CG 3.81Å; V695-I706 HydrophobicContact CB-CD1 4.46Å; V695-I706 HydrophobicContact CG1-CD1 3.68Å; V695-I706 HydrophobicContact CG1-CG1 4.48Å
696	C	92.8	Very high	95.5	Very high	57 Å²	57	72 Å²	72	39%	0.385	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-26.3	-176	-70.1	0	0	0	0	113.3	S694 N709	S694-C696 PolarHBondContact O-N 3.36Å; C696-N709 PolarHBondContact O-ND2 3.27Å
697	G	93.4	Very high	95.5	Very high	1 Å²	1	76.7 Å²	76.7	1%	0.01	43%	0.433	C	S	.	.	S	Bend	trans	-72.7	161.4	174.6	0	0	0	0	0	112.6	D236 S699 E700 C701	D236-G697 WeakPolarHBondContact OD1-CA 3.46Å; G697-S699 PolarHBondContact O-N 2.81Å; G697-E700 WeakPolarHBondContact CA-OE1 3.43Å; G697-E700 PolarHBondContact N-OE1 3.38Å; G697-E700 WeakPolarHBondContact O-CG 3.19Å; G697-C701 WeakPolarHBondContact O-CB 3.44Å; G697-C701 PolarHBondContact O-N 3.49Å; G697-C701 VanDerWaalsContact O-N 3.1Å; G697-C701 PolarHBondContact O-SG 3.2Å
698	V	95.4	Very high	95.5	Very high	16 Å²	16	76.7 Å²	76.7	10%	0.097	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-43.9	-172.1	178	0	0	0	0	111.4	D236 C701 I702 M708 I710	D236-V698 WeakPolarHBondContact OD1-CG2 3.38Å; D236-V698 PolarHBondContact OD1-N 2.79Å; V698-C701 PolarHBondContact O-N 3.11Å; V698-I702 HydrophobicContact CG1-CD1 3.94Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.41Å; V698-I702 PolarHBondContact O-N 3.32Å; V698-I702 VanDerWaalsContact O-N 3.14Å; V698-M708 HydrophobicContact CG1-SD 3.93Å; V698-I710 HydrophobicContact CG2-CD1 3.55Å; V698-I710 HydrophobicContact CG2-CG1 3.95Å; V698-I710 HydrophobicContact CG2-CG2 4.34Å
699	S	94.9	Very high	95.3	Very high	9 Å²	9	71.5 Å²	71.5	6%	0.063	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-50.8	-177	-84.7	0	0	0	0	112.3	K232 E235 G697 I702 I703	K232-S699 PolarHBondContact NZ-OG 3.14Å; E235-S699 WeakPolarHBondContact OE1-CB 3.24Å; E235-S699 PolarHBondContact OE1-OG 3.47Å; G697-S699 PolarHBondContact O-N 2.81Å; S699-I702 PolarHBondContact O-N 3.28Å; S699-I703 VanDerWaalsContact O-CG1 3.28Å; S699-I703 WeakPolarHBondContact O-CG1 3.27Å; S699-I703 PolarHBondContact O-N 3.21Å
700	E	95.5	Very high	95.3	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-71.1	-33.1	-178.6	57.8	-88.7	-143.5	0	0	112.5	S669 L671 V695 G697 I702 I703 M704	S669-E700 WeakPolarHBondContact CB-OE1 3.42Å; S669-E700 VanDerWaalsContact OG-CD 3.24Å; S669-E700 PolarHBondContact OG-OE1 3.23Å; L671-E700 HydrophobicContact CB-CB 4.13Å; L671-E700 HydrophobicContact CD1-CB 4.14Å; V695-E700 HydrophobicContact CG1-CB 4.23Å; V695-E700 HydrophobicContact CG1-CG 4.06Å; G697-E700 WeakPolarHBondContact CA-OE1 3.43Å; G697-E700 PolarHBondContact N-OE1 3.38Å; G697-E700 WeakPolarHBondContact O-CG 3.19Å; E700-I702 VanDerWaalsContact C-N 3.31Å; E700-I702 PolarHBondContact O-N 3.34Å; E700-I703 PolarHBondContact O-N 3.29Å; E700-M704 WeakPolarHBondContact O-CB 3.25Å; E700-M704 VanDerWaalsContact O-CG 3.28Å; E700-M704 WeakPolarHBondContact O-CG 3.18Å; E700-M704 PolarHBondContact O-N 3.41Å
701	C	96.6	Very high	95.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	37%	0.367	C	S	.	.	H	α-helix	trans	-57.7	-45.5	169.6	-77.2	0	0	0	0	111.5	G697 V698 M704 G705 I706 M708	G697-C701 WeakPolarHBondContact O-CB 3.44Å; G697-C701 PolarHBondContact O-N 3.49Å; G697-C701 VanDerWaalsContact O-N 3.1Å; G697-C701 PolarHBondContact O-SG 3.2Å; V698-C701 PolarHBondContact O-N 3.11Å; C701-M704 PolarHBondContact O-N 2.91Å; C701-G705 PolarHBondContact O-N 3.38Å; C701-I706 CarbonylContact C-O 3.52Å; C701-I706 HydrophobicContact CB-CD1 4.4Å; C701-I706 HydrophobicContact CB-CG1 3.85Å; C701-I706 WeakPolarHBondContact O-CG1 3.49Å; C701-I706 PolarHBondContact O-N 2.68Å; C701-M708 HydrophobicContact CB-CB 4.26Å
702	I	96.8	Very high	95.3	Very high	117 Å²	117	65.9 Å²	65.9	60%	0.6	38%	0.384	S	S	*	.	H	α-helix	trans	-66	-43.6	178.1	-66.2	167.2	0	0	0	110.9	V698 S699 E700 M704 G705	V698-I702 HydrophobicContact CG1-CD1 3.94Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.41Å; V698-I702 PolarHBondContact O-N 3.32Å; V698-I702 VanDerWaalsContact O-N 3.14Å; S699-I702 PolarHBondContact O-N 3.28Å; E700-I702 VanDerWaalsContact C-N 3.31Å; E700-I702 PolarHBondContact O-N 3.34Å; I702-M704 VanDerWaalsContact C-N 3.3Å; I702-M704 PolarHBondContact O-N 2.79Å; I702-G705 PolarHBondContact O-N 3.37Å
703	I	96.6	Very high	95.4	Very high	93 Å²	93	58.2 Å²	58.2	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-43	177.5	-69	164.1	0	0	0	111	L671 S699 E700 G705	L671-I703 HydrophobicContact CB-CD1 4.43Å; S699-I703 VanDerWaalsContact O-CG1 3.28Å; S699-I703 WeakPolarHBondContact O-CG1 3.27Å; S699-I703 PolarHBondContact O-N 3.21Å; E700-I703 PolarHBondContact O-N 3.29Å; I703-G705 VanDerWaalsContact C-N 3.3Å; I703-G705 PolarHBondContact O-N 2.99Å
704	M	96.9	Very high	95.5	Very high	114 Å²	114	58.1 Å²	58.1	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-81.4	-6.4	-178.9	-64.2	-57.7	-66.9	0	0	113.7	V695 E700 C701 I702 I706	V695-M704 HydrophobicContact CG1-CB 4.21Å; V695-M704 HydrophobicContact CG1-CG 3.81Å; E700-M704 WeakPolarHBondContact O-CB 3.25Å; E700-M704 VanDerWaalsContact O-CG 3.28Å; E700-M704 WeakPolarHBondContact O-CG 3.18Å; E700-M704 PolarHBondContact O-N 3.41Å; C701-M704 PolarHBondContact O-N 2.91Å; I702-M704 VanDerWaalsContact C-N 3.3Å; I702-M704 PolarHBondContact O-N 2.79Å; M704-I706 HydrophobicContact CB-CG1 4.39Å
705	G	96.8	Very high	95.6	Very high	68 Å²	68	58.8 Å²	58.8	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	28.7	-179.3	0	0	0	0	0	114.2	C701 I702 I703	C701-G705 PolarHBondContact O-N 3.38Å; I702-G705 PolarHBondContact O-N 3.37Å; I703-G705 VanDerWaalsContact C-N 3.3Å; I703-G705 PolarHBondContact O-N 2.99Å
706	I	96.8	Very high	95.7	Very high	79 Å²	79	65.5 Å²	65.5	41%	0.405	38%	0.376	S	S	.	.			trans	-107.6	152.2	176.6	63.7	169.8	0	0	0	110.9	V695 C701 M704 M708	V695-I706 HydrophobicContact CB-CD1 4.46Å; V695-I706 HydrophobicContact CG1-CD1 3.68Å; V695-I706 HydrophobicContact CG1-CG1 4.48Å; C701-I706 CarbonylContact C-O 3.52Å; C701-I706 HydrophobicContact CB-CD1 4.4Å; C701-I706 HydrophobicContact CB-CG1 3.85Å; C701-I706 WeakPolarHBondContact O-CG1 3.49Å; C701-I706 PolarHBondContact O-N 2.68Å; M704-I706 HydrophobicContact CB-CG1 4.39Å; I706-M708 PolarHBondContact O-N 3.22Å
707	P	96.3	Very high	95.9	Very high	112 Å²	112	70 Å²	70	73%	0.727	40%	0.395	S	S	*	.			trans	-63.3	134.8	176.2	26.4	-34.3	0	0	0	110.9
708	M	95.8	Very high	95.9	Very high	77 Å²	77	77.7 Å²	77.7	38%	0.379	44%	0.435	S	S	.	.			trans	-69.9	153.6	174.3	64.8	-173.4	171.5	0	0	111.7	V698 C701 I706 I710 G713	V698-M708 HydrophobicContact CG1-SD 3.93Å; C701-M708 HydrophobicContact CB-CB 4.26Å; I706-M708 PolarHBondContact O-N 3.22Å; M708-I710 HydrophobicContact CB-CG1 4.45Å; M708-I710 HydrophobicContact CE-CG1 4.22Å; M708-I710 HydrophobicContact CG-CG1 3.91Å; M708-I710 HydrophobicContact SD-CD1 3.98Å; M708-I710 HydrophobicContact SD-CG1 3.58Å; M708-I710 VanDerWaalsContact SD-CG1 3.58Å; M708-G713 WeakPolarHBondContact O-CA 3.32Å
709	N	93.8	Very high	95.9	Very high	81 Å²	81	85 Å²	85	43%	0.433	47%	0.468	S	S	.	.	S	Bend	trans	-76.3	-22.2	-178.8	-65.4	-38.8	0	0	0	113.9	C696 G713 L714	C696-N709 PolarHBondContact O-ND2 3.27Å; N709-G713 CarbonylContact O-C 3.59Å; N709-G713 VanDerWaalsContact O-C 3.31Å; N709-L714 WeakPolarHBondContact O-CA 3.33Å; N709-L714 WeakPolarHBondContact O-CB 3.36Å; N709-L714 PolarHBondContact O-N 3.35Å
710	I	95.3	Very high	95.9	Very high	20 Å²	20	94.2 Å²	94.2	10%	0.103	51%	0.507	C	S	.	.	S	Bend	trans	-79.4	159.3	-179.1	66.6	169.8	0	0	0	111.5	C238 A387 V698 M708 T712 G713	C238-I710 HydrophobicContact CB-CB 4.33Å; C238-I710 HydrophobicContact CB-CG2 3.63Å; A387-I710 HydrophobicContact CB-CD1 3.93Å; V698-I710 HydrophobicContact CG2-CD1 3.55Å; V698-I710 HydrophobicContact CG2-CG1 3.95Å; V698-I710 HydrophobicContact CG2-CG2 4.34Å; M708-I710 HydrophobicContact CB-CG1 4.45Å; M708-I710 HydrophobicContact CE-CG1 4.22Å; M708-I710 HydrophobicContact CG-CG1 3.91Å; M708-I710 HydrophobicContact SD-CD1 3.98Å; M708-I710 HydrophobicContact SD-CG1 3.58Å; M708-I710 VanDerWaalsContact SD-CG1 3.58Å; I710-T712 PolarHBondContact O-N 2.83Å; I710-G713 PolarHBondContact O-N 2.88Å
711	G	95.9	Very high	95.7	Very high	30 Å²	30	96.6 Å²	96.6	31%	0.309	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	66.6	-127.1	-179.9	0	0	0	0	0	112.1	G385 G713 L714	G385-G711 WeakPolarHBondContact O-CA 3.26Å; G385-G711 PolarHBondContact O-N 2.99Å; G711-G713 PolarHBondContact O-N 3.02Å; G711-L714 PolarHBondContact O-N 3.31Å
712	T	96.4	Very high	95.3	Very high	126 Å²	126	105 Å²	105	77%	0.773	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-69	-14.7	-177.3	54.3	0	0	0	0	113.9	I710 L714	I710-T712 PolarHBondContact O-N 2.83Å; T712-L714 VanDerWaalsContact C-N 3.35Å
713	G	94.9	Very high	94.7	Very high	31 Å²	31	107.7 Å²	107.7	32%	0.32	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-83.1	-5.6	178	0	0	0	0	0	115.1	M708 N709 I710 G711 F715	M708-G713 WeakPolarHBondContact O-CA 3.32Å; N709-G713 CarbonylContact O-C 3.59Å; N709-G713 VanDerWaalsContact O-C 3.31Å; I710-G713 PolarHBondContact O-N 2.88Å; G711-G713 PolarHBondContact O-N 3.02Å; G713-F715 PolarHBondContact O-N 3.21Å
714	L	96	Very high	94.1	Very high	46 Å²	46	107.7 Å²	107.7	24%	0.241	58%	0.58	C	S	.	*	S	Bend	trans	-72.3	-28.4	-172.3	-171.6	63.3	0	0	0	113.2	Y241 N709 G711 T712	Y241-L714 HydrophobicContact CD2-CD2 3.89Å; Y241-L714 HydrophobicContact CD2-CG 4.34Å; Y241-L714 HydrophobicContact CE2-CD2 3.68Å; Y241-L714 HydrophobicContact CE2-CG 3.93Å; N709-L714 WeakPolarHBondContact O-CA 3.33Å; N709-L714 WeakPolarHBondContact O-CB 3.36Å; N709-L714 PolarHBondContact O-N 3.35Å; G711-L714 PolarHBondContact O-N 3.31Å; T712-L714 VanDerWaalsContact C-N 3.35Å
715	F	96.5	Very high	93.4	Very high	100 Å²	100	107.6 Å²	107.6	44%	0.439	59%	0.591	S	S	.	*	S	Bend	trans	-117.8	163.7	-178.9	64.8	-90.3	0	0	0	111.8	G713 L717	G713-F715 PolarHBondContact O-N 3.21Å; F715-L717 HydrophobicContact CD2-CD2 4.12Å; F715-L717 HydrophobicContact CE2-CD2 3.7Å; F715-L717 HydrophobicContact CE2-CG 4.13Å
716	K	96.4	Very high	92.8	Very high	195 Å²	195	109.3 Å²	109.3	85%	0.848	59%	0.588	S	S	*	*			trans	-113.5	148.1	174.1	-64.8	-177.5	-178.8	178.6	0	109.9
717	L	96	Very high	92.4	Very high	152 Å²	152	109.7 Å²	109.7	80%	0.796	60%	0.595	S	S	*	*			trans	-96.1	126.4	174.1	-65.4	177.5	0	0	0	109.6	F715	F715-L717 HydrophobicContact CD2-CD2 4.12Å; F715-L717 HydrophobicContact CE2-CD2 3.7Å; F715-L717 HydrophobicContact CE2-CG 4.13Å
718	L	95	Very high	91.9	Very high	163 Å²	163	110.8 Å²	110.8	85%	0.853	60%	0.6	S	S	*	*			trans	-104.4	126.4	169.4	-60.9	179.5	0	0	0	108.2	K720	L718-K720 PolarHBondContact O-N 3.27Å
719	H	95.1	Very high	91.4	Very high	169 Å²	169	112.9 Å²	112.9	78%	0.782	62%	0.617	S	S	*	*			trans	-66.2	123	171	176.7	-111	0	0	0	108.8	A721	H719-A721 PolarHBondContact O-N 2.99Å
720	K	93.7	Very high	91.1	Very high	203 Å²	203	120 Å²	120	88%	0.883	64%	0.638	S	S	*	*			trans	-75.6	70.7	175.8	-166.8	177.8	-178.3	179.1	0	109.8	L718	L718-K720 PolarHBondContact O-N 3.27Å
721	A	92.1	Very high	90.7	Very high	52 Å²	52	124.4 Å²	124.4	43%	0.43	67%	0.667	S	S	.	*			trans	-69.6	143.3	174.5	0	0	0	0	0	110.2	H719 K723	H719-A721 PolarHBondContact O-N 2.99Å; A721-K723 HydrophobicContact CB-CB 4.24Å; A721-K723 PolarHBondContact O-N 2.74Å
722	D	88.6	Confident	90.2	Very high	178 Å²	178	128.7 Å²	128.7	95%	0.952	68%	0.683	S	S	*	*			trans	-75.5	75.6	165.6	-169.1	20.7	0	0	0	108.7
723	K	83.9	Confident	89.6	Confident	172 Å²	172	130.4 Å²	130.4	75%	0.748	69%	0.686	S	S	*	*			trans	-117.8	126.4	-177.4	-173.3	-179.4	178.6	-175.5	0	108.9	A721 S725	A721-K723 HydrophobicContact CB-CB 4.24Å; A721-K723 PolarHBondContact O-N 2.74Å; K723-S725 PolarHBondContact O-N 3.44Å
724	D	84.7	Confident	89	Confident	93 Å²	93	136.7 Å²	136.7	50%	0.497	71%	0.705	S	S	.	*			trans	-67.8	116.8	165.7	-169.1	-8.6	0	0	0	108.9	T726	D724-T726 PolarHBondContact O-N 3.23Å; D724-T726 PolarHBondContact OD1-N 3.04Å; D724-T726 PolarHBondContact OD1-OG1 3.26Å
725	S	82.2	Confident	88.3	Confident	112 Å²	112	139.6 Å²	139.6	78%	0.783	72%	0.721	S	S	*	*	S	Bend	trans	-63.9	-22.3	178.2	48.6	0	0	0	0	112.3	K723	K723-S725 PolarHBondContact O-N 3.44Å
726	T	83.9	Confident	87.6	Confident	104 Å²	104	137.7 Å²	137.7	64%	0.638	72%	0.715	S	S	*	*	S	Bend	trans	-130.4	72.9	-177.4	44.4	0	0	0	0	108.7	D724 V728	D724-T726 PolarHBondContact O-N 3.23Å; D724-T726 PolarHBondContact OD1-N 3.04Å; D724-T726 PolarHBondContact OD1-OG1 3.26Å; T726-V728 PolarHBondContact O-N 2.83Å
727	P	87.6	Confident	87	Confident	87 Å²	87	132.4 Å²	132.4	57%	0.565	71%	0.708	S	S	*	*			trans	-58.8	140.6	179.8	27.2	-34.8	0	0	0	109.5	T729	P727-T729 PolarHBondContact O-N 3.16Å
728	V	86.1	Confident	86.4	Confident	136 Å²	136	131 Å²	131	82%	0.824	70%	0.701	S	S	*	*			trans	-58	109.6	177.2	-179	0	0	0	0	109.1	T726	T726-V728 PolarHBondContact O-N 2.83Å
729	T	84.8	Confident	85.7	Confident	120 Å²	120	130.3 Å²	130.3	74%	0.736	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-71	131.6	173.6	52.2	0	0	0	0	108.7	P727	P727-T729 PolarHBondContact O-N 3.16Å
730	R	87.3	Confident	85.1	Confident	231 Å²	231	126.1 Å²	126.1	87%	0.872	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-65	132.1	174	-61.3	-177.6	78.5	150.5	3.3	108.5
731	P	86.9	Confident	84.6	Confident	112 Å²	112	123.1 Å²	123.1	73%	0.727	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-62.2	142.9	178.6	26	-33.5	0	0	0	110.1	L733	P731-L733 PolarHBondContact O-N 3.28Å
732	L	86.2	Confident	84	Confident	121 Å²	121	125.9 Å²	125.9	63%	0.634	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-71.1	127.9	175.1	-63.7	176.2	0	0	0	109.1	D735	L732-D735 HydrophobicContact CD1-CB 4.26Å
733	L	83	Confident	83.5	Confident	162 Å²	162	124.7 Å²	124.7	85%	0.848	67%	0.671	S	S	*	*	S	Bend	trans	-84.2	-29.9	-178.3	-68.5	172.4	0	0	0	113	P731	P731-L733 PolarHBondContact O-N 3.28Å
734	F	82.2	Confident	83	Confident	162 Å²	162	125 Å²	125	71%	0.711	67%	0.673	S	S	*	*	S	Bend	trans	-101.5	-59.7	-175.9	-177.2	-104.2	0	0	0	110.5	N736 H740	F734-N736 PolarHBondContact O-N 3.37Å; F734-H740 AromaticContact CD1-CE1 3.91Å; F734-H740 AromaticContact CE1-CE1 3.81Å; F734-H740 AromaticContact CE1-NE2 3.53Å; F734-H740 AromaticContact CZ-NE2 3.62Å; F734-H740 PolarHBondContact O-CE1 3.19Å; F734-H740 PolarHBondContact O-ND1 3.16Å
735	D	81.9	Confident	81.9	Confident	107 Å²	107	130.9 Å²	130.9	57%	0.572	71%	0.712	S	S	*	*	S	Bend	trans	-79.9	58.4	-177.4	-160.8	16.7	0	0	0	112	L732	L732-D735 HydrophobicContact CD1-CB 4.26Å
736	N	81.7	Confident	81.9	Confident	60 Å²	60	131.9 Å²	131.9	32%	0.321	71%	0.708	S	S	.	*			trans	-96.6	135.3	167.4	-173.2	3.4	0	0	0	108.4	F734 D738 F739 H740	F734-N736 PolarHBondContact O-N 3.37Å; N736-D738 PolarHBondContact ND2-OD2 2.78Å; N736-D738 PolarHBondContact O-N 3.49Å; N736-D738 PolarHBondContact OD1-OD2 2.69Å; N736-F739 HydrophobicContact CB-CD2 4.01Å; N736-F739 HydrophobicContact CB-CE2 4.4Å; N736-F739 PolarHBondContact O-N 2.74Å; N736-H740 PolarHBondContact O-ND1 3.33Å
737	A	83.3	Confident	81.8	Confident	84 Å²	84	133.3 Å²	133.3	69%	0.694	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-24.5	-179.6	0	0	0	0	0	112.7	F739	A737-F739 VanDerWaalsContact C-N 3.31Å; A737-F739 PolarHBondContact O-N 2.98Å
738	D	83.4	Confident	81.5	Confident	122 Å²	122	135.9 Å²	135.9	65%	0.652	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-27.5	176.6	-58.3	-34.5	0	0	0	113.8	N736	N736-D738 PolarHBondContact ND2-OD2 2.78Å; N736-D738 PolarHBondContact O-N 3.49Å; N736-D738 PolarHBondContact OD1-OD2 2.69Å
739	F	81.7	Confident	81.2	Confident	150 Å²	150	135.9 Å²	135.9	66%	0.658	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-12.9	-175.7	-59.5	-56.8	0	0	0	114.2	N736 A737	N736-F739 HydrophobicContact CB-CD2 4.01Å; N736-F739 HydrophobicContact CB-CE2 4.4Å; N736-F739 PolarHBondContact O-N 2.74Å; A737-F739 VanDerWaalsContact C-N 3.31Å; A737-F739 PolarHBondContact O-N 2.98Å
740	H	82.6	Confident	81	Confident	80 Å²	80	136.9 Å²	136.9	37%	0.37	71%	0.713	S	S	.	*			trans	-118.4	61.2	-173.7	-67.8	92.1	0	0	0	111.3	F734 N736	F734-H740 AromaticContact CD1-CE1 3.91Å; F734-H740 AromaticContact CE1-CE1 3.81Å; F734-H740 AromaticContact CE1-NE2 3.53Å; F734-H740 AromaticContact CZ-NE2 3.62Å; F734-H740 PolarHBondContact O-CE1 3.19Å; F734-H740 PolarHBondContact O-ND1 3.16Å; N736-H740 PolarHBondContact O-ND1 3.33Å
741	I	81.9	Confident	80.5	Confident	141 Å²	141	130.6 Å²	130.6	72%	0.723	70%	0.702	S	S	*	*			trans	-64.2	130	169.6	-56	172.4	0	0	0	107.8	L743	I741-L743 PolarHBondContact O-N 3.44Å
742	P	80.9	Confident	80.1	Confident	109 Å²	109	131.9 Å²	131.9	71%	0.708	70%	0.701	S	S	*	*			trans	-56.4	123.7	-179.2	-23.2	32	0	0	0	111.2	F744	P742-F744 PolarHBondContact O-N 3.14Å
743	L	78.4	Confident	79.6	Confident	154 Å²	154	132.8 Å²	132.8	81%	0.806	71%	0.706	S	S	*	*	S	Bend	trans	-73.5	-11.6	-174.9	-150.8	106.8	0	0	0	113.4	I741	I741-L743 PolarHBondContact O-N 3.44Å
744	F	72.8	Confident	79.3	Confident	179 Å²	179	130.3 Å²	130.3	79%	0.785	69%	0.694	S	S	*	*			trans	-120	122.1	-179.7	-56.9	-75.5	0	0	0	109.3	P742	P742-F744 PolarHBondContact O-N 3.14Å
745	T	61.3	Low	79.1	Confident	216 Å²	216	127.5 Å²	127.5	100%	1.325	69%	0.692	S	S	*	*			trans	-80	0	169	48.4	0	0	0	0	111.7

Retrieved 745 of 745 residues in 420.4 ms (Link to these results)

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